smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(OC)c(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(OC)c(OC)c4)C(=O)[C@@H]32)cc1Cl 8757008 APNNFEGALBKCDV-VQTJNVASSA-N 503.899 2.306 0 40 KEAB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)nn1 9787105 JRCGQRGGBARHNY-UHFFFAOYSA-N 516.601 2.210 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](C)n4nc(C(F)(F)F)cc4C)[C@H]3SC2)s1 38154882 PQWDWFMGUGKHFZ-JIYNIHLBSA-N 548.594 2.462 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 59838120 YNMKBQBISFCAKK-UHFFFAOYSA-N 530.068 2.460 0 40 KEAB COc1ccc(CCN2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)C2=O)cc1OC 102922160 KHGYZIXDSMYYHQ-INIZCTEOSA-N 528.052 2.095 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 224316058 LDDFBUUZSPDINX-QFIPXVFZSA-N 509.650 2.211 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225492402 RQBGQIWCWDFZCM-AWEZNQCLSA-N 508.394 2.147 0 40 KEAB CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCC(N)=O)c(=O)n21 408963483 DVYFKHSXEYEKTD-MLJBDGAYSA-N 660.543 2.459 0 40 KEAB O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1cc(-c3ccccc3)no1)CC2 1548889435 GTSHWDDOLSJFNM-NAKRPHOHSA-N 637.759 2.236 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 2061001049 WBWWGRHZICKQGZ-ZONXZLKDSA-N 515.713 2.368 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCCCC4)nc(N4CCCCC4)n3)CC2)cc1 661172 JXRBGOJDKPTSPE-UHFFFAOYSA-N 528.683 2.322 0 40 KEAB COCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc(OC)cc1)OCO3 8673586 RNQBISJZTASVGW-UHFFFAOYSA-N 542.614 2.085 0 40 KEAB CCCCNC(=O)Cn1c(=O)n(Cc2ccc(C(=O)NC(C)C)cc2)c(=O)c2cc(OC)c(OC)cc21 45921835 OVMUQVVPOQGEOS-UHFFFAOYSA-N 510.591 2.283 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)NCCN1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 59211828 HSHKMYMYZCPKJJ-UHFFFAOYSA-N 538.475 2.295 0 40 KEAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59837495 PWIVSHOQAMRIEY-UHFFFAOYSA-N 561.657 2.354 0 40 KEAB COc1cc2c(=O)n(Cc3ccc(C(=O)N4CCCCC4)cc3)c(=O)n(CC(=O)NC(C)C)c2cc1OC 64449207 ZOTXTUQEFKOTPX-UHFFFAOYSA-N 522.602 2.379 0 40 KEAB O=C1CN2CCN(CC2)CC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccc(cc2)NC(=O)CN2CCN(CC2)CC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccc(cc2)N1 95544209 BAJKVMCRMMOUKL-UHFFFAOYSA-N 828.974 2.055 0 40 KEAB aggregator,in-vitro CCOC(=O)c1cc(OC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc(C(=O)OCC)c1 95570584 DMZCXZMMLVMUPU-UHFFFAOYSA-N 535.571 2.218 0 40 KEAB COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 138761206 GFVAALWFUMXSIS-CYBMUJFWSA-N 509.437 2.398 0 40 KEAB CC(C)C[C@@H]1OC(=O)[C@@H]2CCCN2C(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O 150642722 RPJBXUNEXVNBIF-HXSXYBSHSA-N 655.837 2.149 0 40 KEAB biogenic,in-vitro O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 224466064 RFCBIQCSVZFVEV-HHHXNRCGSA-N 601.703 2.000 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@H](OC(C)=O)[C@H]1OC(C)=O 245285882 ZFKVWNUPWMEURA-ZPLZDBFASA-N 557.552 2.079 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](O[C@@H]2CC[C@]34C[C@]35C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@H](O)C[C@@]3(C)[C@H]5CC[C@H]4C2(C)C)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O 253500678 IRXIEUDBDWXTTL-WPZQURSOSA-N 825.002 2.034 0 40 KEAB biogenic,in-vitro COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 409387634 CXQQMNXIKOVQCR-UHFFFAOYSA-N 515.632 2.477 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCCNC1=O 643566404 QCZXFDYRQQHTGI-UIOOFZCWSA-N 591.709 2.044 0 40 KEAB CC(C)c1ccc2c(c1)OCCC1(CCN(Cc3nccs3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O 1548889728 JZVWFIUFEAOHTL-UXHICEINSA-N 534.704 2.324 0 40 KEAB Cc1nn(C)cc1NC(=O)CN1CC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3 2037879290 LLYAOFGALBWEEG-NXCFDTQHSA-N 562.715 2.348 0 40 KEAB O=C(c1ccc(F)cc1)N1CCCC[C@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1=O 34854022 NEYPWXJUPOGDTA-NRFANRHFSA-N 517.579 2.125 0 40 KEAB CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O 70706236 LPAWUNOBPQSNHN-ZNZIZOMTSA-N 556.619 2.427 0 40 KEAB biogenic O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 71772365 DHWVPOBFEWYGBK-UHFFFAOYSA-N 502.531 2.136 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC 100277284 DQYXSYPHHKMFLD-SVEHJYQDSA-N 625.702 2.084 0 40 KEAB CCCN1CN([C@@H](C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@H]23)c2ccccc2)CSC1=S 104297957 VXYWHKHEAVFWAM-XAUMDUMWSA-N 506.675 2.447 0 40 KEAB COC(=O)C1=C2[C@]3(O)C[C@@H]4C[C@@H]5[C@H]3CC[C@@H](C)N5[C@@]24[C@@H]2CC[C@H](O)[C@H](OC)[C@@H]2[C@@H]1OC(=O)c1ccccc1 104329508 QERMOAWMXXPSEU-QNVPJPSESA-N 523.626 2.474 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)c1 226046688 BLGGZIWSNVZKKY-UHFFFAOYSA-N 565.714 2.248 0 40 KEAB COCCn1cnc2cc(C(=O)N3CCC4(CC3)COC[C@@](C)(O)[C@H](n3cnc5c(N)ncnc53)C4)ccc21 257231412 GGORKOJWDQFXSJ-QFQXNSOFSA-N 534.621 2.040 0 40 KEAB COc1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 835563 XEUKIKFXTIEWEX-DEOSSOPVSA-N 529.640 2.075 0 40 KEAB CCOCCCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(O)c(OC)c1 6600099 COBRJKVWLLHXJR-HXUWFJFHSA-N 519.624 2.207 0 40 KEAB O=C(NCCN1CCN(C(=O)c2cccc(I)c2)CC1)C(=O)Nc1ccc(I)cc1 8442424 RLIMDBSMRKUNGX-UHFFFAOYSA-N 632.240 2.409 0 40 KEAB CCN(C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 17527537 FDZQMJNFMMZITR-UHFFFAOYSA-N 530.551 2.361 0 40 KEAB CCCCCN(C(=O)CCC(=O)OCC(=O)NCCc1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O 32944985 UERQBYBFJDXDMN-UHFFFAOYSA-N 529.638 2.124 0 40 KEAB CCN(C(=O)CSc1nc2ccc(O)cc2c(=O)n1-c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 38145284 MLNKLXWDOSTDBU-MRXNPFEDSA-N 533.628 2.236 0 40 KEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc2)n1 103015928 NFFQUFVXZBAKMS-UHFFFAOYSA-N 545.643 2.476 0 40 KEAB COCCOC(=O)c1c(NC(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)sc(C(N)=O)c1C 103073664 OPYPAIODOULBJM-UHFFFAOYSA-N 586.600 2.131 0 40 KEAB O=C(COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 103116790 OPMOQIIVMOMEET-HSZRJFAPSA-N 536.031 2.345 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCN(c3ccc(F)c(F)c3)S(C)(=O)=O)CC2)cc1 223993918 YXHBKFXTDYHANO-UHFFFAOYSA-N 515.604 2.353 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1cccc(N2CCCC2=O)c1 225580115 XXAHVPHUBCCEEK-UHFFFAOYSA-N 501.605 2.092 0 40 KEAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)ccc2OC)cc1 12546635 OQFBGVWPOBGGMW-UHFFFAOYSA-N 510.528 2.147 0 40 KEAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2=O)cc1 14158487 IXFRXJUPRGFYOO-MHZLTWQESA-N 526.659 2.425 0 40 KEAB Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 19940995 COPFSWJPTBEOOB-CYFREDJKSA-N 517.590 2.451 0 40 KEAB COc1cc(SC)ccc1C(=O)OCC(=O)NCCNC(=O)COC(=O)c1ccc(SC)cc1OC 38139482 JRSGFLIODNYUGT-UHFFFAOYSA-N 536.628 2.394 0 40 KEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O 103136959 WSJXVMJYVGXRQG-NRFANRHFSA-N 555.632 2.162 0 40 KEAB O=C(NCCO)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223078641 YOBOGAHTZPZXBY-NDEPHWFRSA-N 616.136 2.488 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223669007 GYORWECUNOVUKZ-IBGZPJMESA-N 503.621 2.476 0 40 KEAB CN(c1ccc(Cl)c(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1)S(C)(=O)=O 224338230 XJLGOZIMOUDZPJ-UHFFFAOYSA-N 516.041 2.329 0 40 KEAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225059526 XBLXFXAIBBSKCD-LJQANCHMSA-N 503.621 2.210 0 40 KEAB COc1cccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1 260890776 RYSAYEIUTULRJR-LJQANCHMSA-N 539.676 2.220 0 40 KEAB C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)Nc4cccc(C(=O)O)c4)N(C(=O)C4=C(S[C@@H]5CN[C@H](C(=O)Nc6cccc(C(=O)O)c6)C5)[C@H](C)[C@@H]5[C@@H]([C@@H](C)O)C(=O)N45)C3)[C@H](C)[C@H]12 306121392 GIKZHKCNSVCAIT-BNCIILEKSA-N 933.031 2.049 0 40 KEAB in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 409168086 KCNMMMRGWUHKBE-DVUZPASPSA-N 635.695 2.163 0 40 KEAB Cc1ccc2c(c1)OCCCNC(=O)C1(CCCCNC2=O)CCN(C(=O)C(C)(C)n2cncn2)CC1 2037883905 GFEDIAOGDKXAMJ-UHFFFAOYSA-N 510.639 2.429 0 40 KEAB O=C(CN(Cc1cccnc1)C(=O)CN1C(=O)C(=O)c2ccccc21)Nc1ccc(N2CCOCC2)cc1 8694375 AEDHMQZJJMDPQU-UHFFFAOYSA-N 513.554 2.115 0 40 KEAB COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)NC(C)C 20033173 OBHJGLVYNHANDQ-UHFFFAOYSA-N 509.650 2.487 0 40 KEAB CCOC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4[C@H](c5ccc(OC)c(OC)c5)c5sc(=O)[nH]c5S[C@@H]43)[C@H]2C1=O 97987840 ILIWIHNLKASJOV-VXHUCUQPSA-N 530.624 2.490 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@@H]5C[C@H]6[C@@H](OC)C[C@](O)([C@H](C[C@@H]23)[C@@H]14)[C@@]5(O)[C@H]6OC 100392555 NWBWCXBPKTTZNQ-MXUMJXHJSA-N 584.710 2.222 0 40 KEAB biogenic,in-vitro CCOC(=O)c1c(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)sc(C(=O)N(CC)CC)c1C 103063260 AJYHETUEFQFUMB-UHFFFAOYSA-N 596.684 2.134 0 40 KEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 226035411 JQGZJSLXUSHKRK-DEOSSOPVSA-N 509.584 2.426 0 40 KEAB COC(=O)COc1c(Cl)cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1OC 409096528 LHELVAGPJIINQS-UHFFFAOYSA-N 585.060 2.025 0 40 KEAB COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](C(C)C)C(=O)NCCOc3ccccc3C(=O)N2)cc1OC 643568090 JHNXASVVTSVVJI-HJRZCVLXSA-N 717.820 2.024 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]45C)C3(C)C)OC[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 2054340351 FYSAXYBPXKLMJO-LSBDNKQVSA-N 897.109 2.373 0 40 KEAB Cn1c(=O)c2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc(-c3ccc(F)cc3)nc2n(C)c1=O 9382401 BQNDURHRJGSWRA-UHFFFAOYSA-N 509.519 2.335 0 40 KEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc3ncccn3)cc1)C2=O 12520836 PMAAAUKCNXZIJF-IQMFZBJNSA-N 500.581 2.353 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)CC2)cc1C 12875457 VFPMEYPOKWEKRT-UHFFFAOYSA-N 519.595 2.484 0 40 KEAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)c1 20031609 IDUVUCDSLYARDM-HSZRJFAPSA-N 515.657 2.465 0 40 KEAB Cc1c(CC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)O)C(C)C)c(=O)oc2c(C)c(O)ccc12 70704988 PNVZYXYHNDYFGV-OFVILXPXSA-N 586.041 2.380 0 40 KEAB biogenic Cc1nn(C)cc1[C@H](C(=O)NC1CCCCC1)N(C[C@H]1CCCO1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 100323436 VJXLDYJYHFPYJN-CJFMBICVSA-N 557.673 2.071 0 40 KEAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)O)[C@H](C)CC)ccc1-2)C(=O)O 102415430 YTPYLPAKSOVREP-DQEHQXCCSA-N 566.654 2.453 0 40 KEAB COC[C@@]12CC[C@@H](OC)[C@]34[C@H]5C[C@@]6(O)[C@@H](OC)C[C@](OC(C)=O)([C@H]([C@@H](OC)[C@@H]13)[C@@H]4N(C)C2)[C@H]5[C@@H]6OC(=O)c1ccccc1 102964310 REVYTWNGZDPRKE-QFBWVQQDSA-N 599.721 2.316 0 40 KEAB COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1 103677765 CJIALWJKWYIUOU-UMPHLXDOSA-N 566.394 2.394 0 40 KEAB CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C 242390238 AGBCLJAHARWNLA-DJZXLMSJSA-N 785.025 2.147 0 40 KEAB O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 409332468 FLEHXMBXIQRSEF-MJGOQNOKSA-N 514.385 2.476 0 40 KEAB O=C(CN1CCCCCOc2ccccc2N(CC(=O)N2CCC[C@@H](O)C2)c2cncc(c2)C1=O)N1CCC[C@H](O)C1 643584611 HHAKOWFECJMGHD-IZZNHLLZSA-N 579.698 2.191 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N[C@@H]2CCCOC2)CC(=O)N[C@@H](CC(C)C)C1=O 643584834 KURBYHPEJVMDLT-PUHATCMVSA-N 530.666 2.022 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]21C 2061001046 WBWWGRHZICKQGZ-NDDYGCGBSA-N 515.713 2.368 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 6089347 YUNGXRZJVIMWHW-JOCHJYFZSA-N 532.582 2.440 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 6546860 VPEHODUMRQWLTR-GOSISDBHSA-N 501.590 2.262 0 40 KEAB COc1ccccc1CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 8440397 UWYHCGYFIGFCPS-QHCPKHFHSA-N 529.640 2.075 0 40 KEAB O=C(OC[C@@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 38152159 SRPSJMLVXZRXTM-BELIEFIBSA-N 557.515 2.137 0 40 KEAB C[C@H]1CN(C[C@H](O)COc2ccc(S(=O)(=O)c3ccc(OC[C@H](O)CN4C[C@H](C)O[C@H](C)C4)cc3)cc2)C[C@@H](C)O1 101210323 SXNYEHQZYJLEOA-XUHLDYCGSA-N 592.755 2.217 0 40 KEAB O=C1N=C(O)N=C(O)/C1=C/Nc1ccc2c(c1)C[C@]1(C(=O)N=C(O)N=C1O)[C@H]1CN(c3ccccc3)CCN21 107939350 AAWADXLRGBNWJG-LJQANCHMSA-N 529.513 2.042 0 40 KEAB Cc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 260737261 LUUWNPWLGVPDFL-LJQANCHMSA-N 503.621 2.474 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409032536 JUTWSTCNNZTUAB-VCDQAHEJSA-N 568.604 2.160 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC 409151543 HQSPPDOQJMGKKS-CLNXTWJPSA-N 634.755 2.358 0 40 KEAB O=C1C[C@@H](C(=O)NCCc2ccncc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCCC2)N1 643576552 QQWGVLQXVMHLFX-KYJUHHDHSA-N 668.795 2.374 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(Cl)cc1OC[C@H](N)CC(C)C)C(=O)O 2037879582 FXAQJEBLLFDVHQ-WTFQOOOSSA-N 513.035 2.072 0 40 KEAB COC(=O)C1=C2[C@@]3(O)C[C@H]4C[C@@H]5[C@H]3CC[C@H](C)N5[C@]24[C@@H]2CC[C@H](O)[C@@H](OC)[C@H]2[C@@H]1OC(=O)c1ccccc1 2048392594 QERMOAWMXXPSEU-CQQFZVRISA-N 523.626 2.474 0 40 KEAB COCCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC 6905066 FEGDEDFMRCDIDA-FQEVSTJZSA-N 531.566 2.131 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 12625667 KEMCNRIXLSXMAW-UHFFFAOYSA-N 505.637 2.075 0 40 KEAB CCn1c(CCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)nc2cc(S(=O)(=O)N(C)C)ccc21 12692288 NNYRLUWWUSIKKL-UHFFFAOYSA-N 508.622 2.377 0 40 KEAB CS(=O)(=O)N(Cc1nnc(SCC(=O)N2CCOCC2)n1-c1ccccc1)c1ccc(F)cc1 20416260 RDWSUUDWAJERQB-UHFFFAOYSA-N 505.597 2.324 0 40 KEAB COc1ccc(NC(=O)Cn2c(=O)n(CCc3nc(C)no3)c(=O)c3cc4c(cc32)OCO4)cc1Cl 62728246 AMTSKAQYCRIBIM-UHFFFAOYSA-N 513.894 2.127 0 40 KEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(Br)s2)sc2cc(S(N)(=O)=O)ccc21 100877501 POMMNAXBZXUXDL-MNDPQUGUSA-N 504.409 2.478 0 40 KEAB O=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1[C@H]1c2ccccc2Oc2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 101268512 CXRPWSQDPSCOTB-OAQYLSRUSA-N 522.517 2.475 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 108929940 ZKIGFRYKIOVLTQ-HDTVGXICSA-N 621.668 2.104 0 40 KEAB CCN(CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 226071948 QSWDEDUSAGYBPI-UHFFFAOYSA-N 514.069 2.494 0 40 KEAB CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c(Cl)c2Cl)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 253476100 ZFDNZWACMUUPOO-PJTFKAHASA-N 566.368 2.196 0 40 KEAB COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 260719666 LLUPYKJXNFIQIU-HYBUGGRVSA-N 517.648 2.169 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@](O)(COc2ccccc2)C1 585279572 DFEPDJLPEFNQQB-MUUNZHRXSA-N 524.618 2.071 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OCCCNC1=O 643565757 IZHIXHOCWPTUEX-UIOOFZCWSA-N 591.709 2.044 0 40 KEAB COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 1222147 MOUBLZXICNFHFQ-GOSISDBHSA-N 514.556 2.456 0 40 KEAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)C1 15981550 AQJARQICBMNDGA-OALUTQOASA-N 517.604 2.088 0 40 KEAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 22869327 XDCKYQXJRARDBJ-WXVAWEFUSA-N 559.627 2.338 0 40 KEAB CCOC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(OC)cc1)[C@@H](CC)C(=O)NCc1ccc(F)cc1 100331203 KHMCTZOGJWABRL-PZLZPRKGSA-N 549.621 2.008 0 40 KEAB O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(F)c5)c4n3)CC2)cc1)N1CCCC1 100471711 CQKANVSYRMFBLB-UHFFFAOYSA-N 601.686 2.467 0 40 KEAB CCOCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)sc2cc(S(N)(=O)=O)ccc21 100873590 FMUZTPKCSUMFHY-GYHWCHFESA-N 540.689 2.158 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1OC 226050540 YUMVKPLREBNMJZ-OAQYLSRUSA-N 565.714 2.248 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)O)c(I)c3)C2=O)o1 409400801 RACYWZYPVDMJMC-QPEQYQDCSA-N 526.239 2.227 0 40 KEAB O=C(CN1CCC[C@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)Nc1ccc2nc(O)[nH]c2c1 2037879561 DOKVUMAWNVZACN-MUUNZHRXSA-N 532.601 2.174 0 40 KEAB COc1ccc(CNC(=O)CN2CCC[C@@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)cc1 2037879914 XFONSDJGPUQRMX-LJAQVGFWSA-N 520.630 2.279 0 40 KEAB Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O 8952262 DDYLKTWLCZXWCQ-UHFFFAOYSA-N 502.014 2.074 0 40 KEAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NC(=O)[C@H]1COc2ccccc2O1 14357607 SBYVARALHQERSX-QFBILLFUSA-N 506.964 2.218 0 40 KEAB O=C(COC(=O)COc1cccc(C(F)(F)F)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 23079037 WQKCBXPWKNGDDE-UHFFFAOYSA-N 502.467 2.287 0 40 KEAB COc1ccc(N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59837566 CWRQCSHFANFRPM-UHFFFAOYSA-N 619.718 2.245 0 40 KEAB CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N([C@@H](C)C(=O)O)C(=O)[C@H]45)[C@H]23)ccc1O 100922640 XUUMTQZOYYLJEH-LNSDGKACSA-N 516.597 2.487 0 40 KEAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)c(OC)c1 138800461 SFIYLLPGYLEDRN-AWEZNQCLSA-N 520.336 2.142 0 40 KEAB CCN1CC(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccccc2)CC1=O 643574792 RELMGWWGVVLIEV-DGPALRBDSA-N 641.769 2.351 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)F)c(Cl)c4C)[C@@H]3SC2)s1 2732814 UKYSLASHEMIDQU-WBMJQRKESA-N 551.022 2.473 0 40 KEAB CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(C)(=O)=O 19934708 CDFPORZLDNBZNK-UHFFFAOYSA-N 505.578 2.081 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)c2c1 32999992 LXTWSANLDIMDTE-NRFANRHFSA-N 518.661 2.423 0 40 KEAB CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 59796556 YDOTUXAWKBPQJW-BQHADAJQSA-N 575.710 2.430 0 40 KEAB in-vitro CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70672392 NWOGROLFEFUITG-URYJJRPLSA-N 576.526 2.419 0 40 KEAB CCc1cc(=O)oc2cc(O[C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(Cl)cc12 72332923 HYVXPHGGLPRFAX-JRBASJLZSA-N 554.932 2.471 0 40 KEAB biogenic CC(=O)OC[C@@H](CNC(=O)c1c(I)c(N)c(I)c(C(=O)O)c1I)OC(C)=O 94303117 ZNLVMZLCIIIYPV-SSDOTTSWSA-N 716.004 2.005 0 40 KEAB in-vitro CCOc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1 224258011 TWHFLLNWUQPZCN-UHFFFAOYSA-N 527.665 2.077 0 40 KEAB C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O)C[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@@H]4CC[C@]3(C)[C@]1(O)[C@H]2C 254700192 HVNSMSNIQCASPS-HADKVCQZSA-N 578.743 2.263 0 40 KEAB biogenic,in-vitro COc1ccc(C)cc1S(=O)(=O)Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cc(C)ccc2OC)cc1 575421591 KCWJNAJLYRCMFK-FGZHOGPDSA-N 610.732 2.475 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCn3cccn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 585274983 SOEMKZOAHFGTKD-NDEPHWFRSA-N 508.619 2.371 0 40 KEAB Cc1nonc1COc1ccc(C(=O)N2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)cc1 643564128 MGWWRLUFDHLTSK-FQEVSTJZSA-N 527.622 2.391 0 40 KEAB COc1ccc(OCCN(C)C(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643578688 GCULITVZBLBXTE-RPBOFIJWSA-N 568.671 2.103 0 40 KEAB CCOC(=O)[C@](NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)(OCC)C(F)(F)F 3991797 XVTYPPOTIYXWSW-SFHVURJKSA-N 521.474 2.266 0 40 KEAB CCOC(=O)c1cc(OCCOC)c(OCCOC)cc1NS(=O)(=O)c1c(C)nn(C)c1Cl 15022815 JQNPUMTVYHCRFD-UHFFFAOYSA-N 505.977 2.410 0 40 KEAB COc1cc(/C=c2\sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)ccc1O 33354191 QEUQPXVRXITPMN-YVVRWKSLSA-N 527.606 2.333 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cccc2ccccc12 59781983 FQJXAJDHNXYBPF-RUZDIDTESA-N 543.624 2.042 0 40 KEAB COc1ccc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1S(=O)(=O)N1CCCCC1 224104758 DMADLFKEKZLDRC-UHFFFAOYSA-N 513.613 2.409 0 40 KEAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224449407 PLQNFLQZBMHWFT-UHFFFAOYSA-N 635.692 2.008 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(OC(C)=O)cc2)CC3=O)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 248053144 XTFVLYRMZHVXMC-DPXQYWNNSA-N 874.798 2.479 0 40 KEAB biogenic,in-vitro Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(=O)n(-c2ccccc2)n1C 13114542 SKAOOMDLOULULN-UHFFFAOYSA-N 504.012 2.083 0 40 KEAB C[C@@H]1C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)N1c1ccc(Cl)cc1 14108592 PGBNDYGJCZHDHJ-OAHLLOKOSA-N 506.968 2.157 0 40 KEAB CC(C)CN(C(=O)CN(C)C(=O)c1ccc(Br)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32971995 DRFFGJLAWMLSKJ-UHFFFAOYSA-N 514.446 2.360 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 97973483 UGQPZVSWEMKXBN-DOYJRTLYSA-N 657.625 2.078 0 40 KEAB Cn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 100273466 NNSSMGMZWLMPFC-UHFFFAOYSA-N 606.752 2.018 0 40 KEAB O=c1n(C[C@H](O)CN2CCN(Cc3ccccc3)CC2)c2ccccc2n1C[C@H](O)CN1CCN(Cc2ccccc2)CC1 103559842 LIQWPQFTKPEFJH-ROJLCIKYSA-N 598.792 2.160 0 40 KEAB C[C@H](Oc1ccc(NC(=O)OCCO)cc1)C(=O)OCCOC(=O)[C@@H](C)Oc1ccc(NC(=O)OCCO)cc1 114671341 PSEZQAKIOLPMMN-HDICACEKSA-N 564.544 2.089 0 40 KEAB CCc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1 224487881 LMVZTCVCWVYXKK-UHFFFAOYSA-N 553.703 2.011 0 40 KEAB O=C(O)c1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC=C[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 253405221 SBYKJOILHCQSAP-FIXSFTCYSA-N 505.571 2.324 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(F)cc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643565295 BOGKHEFTKTWTCR-UIOOFZCWSA-N 576.625 2.088 0 40 KEAB CN1CCCCCCOc2ccccc2C(=O)N[C@H](C(=O)N2CCOCC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 1615162090 ZIMZVYFCFGFUPB-UIOOFZCWSA-N 564.683 2.173 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccccc3F)c2=O)=C(C(=O)OCC)[C@H]1c1ccccc1F 2056377 DQZNEQWVJYJMBH-LJLZWOEMSA-N 512.534 2.218 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccco2)cc1OC 100290903 BEGQWNCQARNKFS-VBKZILBWSA-N 529.575 2.118 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(Oc2ccccc2)cc1 101264803 AWIWBUQSBYIZMN-XMMPIXPASA-N 545.596 2.186 0 40 KEAB Cc1ccnc(N2CCN(C[C@H](O)COc3ccc(OC[C@H](O)CN4CCN(c5cc(C)ccn5)CC4)cc3)CC2)c1 101325738 DZCRYCKXHRGKCQ-HNRBIFIRSA-N 576.742 2.217 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2cc(Cl)ccc2Cl)c(N)n(Cc2ccccc2)c1=O 103111031 XBXRULPGCGZEKG-UHFFFAOYSA-N 520.325 2.160 0 40 KEAB CO[C@@H]1[C@H](O)[C@H](O[C@@H]2CC[C@]3(C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@@H]3C2)O[C@H](C)[C@H]1O 118917654 SOPZOCCINHAAOP-XGONTGRISA-N 550.689 2.081 0 40 KEAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)ccc21 223316129 AKPMFIXLAOKULI-UHFFFAOYSA-N 506.650 2.031 0 40 KEAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 226052013 WRPREHFJMFMPMV-UHFFFAOYSA-N 507.678 2.449 0 40 KEAB O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)NC(=O)NCc1ccccc1 3336657 KGRFCPHCIUDCQR-UHFFFAOYSA-N 525.539 2.441 0 40 KEAB CCOC(=O)N1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 9851572 AZWQZHISYMYKBF-UHFFFAOYSA-N 509.556 2.339 0 40 KEAB COc1ccc(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)cc1S(=O)(=O)NCc1ccc(Cl)cc1 13129518 BINWTWLBFKHORC-UHFFFAOYSA-N 516.963 2.277 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 13139504 JUKYYGNCOOKQFZ-UHFFFAOYSA-N 523.633 2.143 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccco3)n2)cc1 19941065 MMSZXSAWGZXGBU-QHCPKHFHSA-N 509.611 2.058 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1 224349741 ZWJFUCAEUXYJII-OAQYLSRUSA-N 535.688 2.375 0 40 KEAB Cc1nc2cc(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c(N)ncnc53)CO4)ccc2[nH]1 257249350 JHVQCFFETLJHCB-CJFMBICVSA-N 504.595 2.300 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409035566 JHTRNEFMKOTDTG-FCCKJDLXSA-N 610.641 2.212 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC 409160424 WZLJBJNFZNTUDT-KEBLUXQBSA-N 621.712 2.443 0 40 KEAB Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)n1 643565967 SJDIOZWVXIOROU-SFTDATJTSA-N 543.690 2.071 0 40 KEAB C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)CC(=O)N(C)[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)C[C@@H](C)O1 643569611 LXDDWFGSUBUKOG-APAYAGTCSA-N 564.683 2.122 0 40 KEAB CCN1CC(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(OC)cc2)CCC1=O 643577094 DWIGBJPWQOWKSS-LOSJGSFVSA-N 568.671 2.151 0 40 KEAB CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 2060999644 VOWJAFYNABYJKY-XZLKERTOSA-N 785.025 2.149 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 2773431 OAWZKGAXHDSTMB-MVQVQHCTSA-N 538.578 2.279 0 40 KEAB O=C(N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3ccc(-n4cncn4)cc3)CO[C@H]12)c1ccc(C(F)(F)F)cc1 4259833 ZBJAJKGBZDSFQO-VNTMZGSJSA-N 528.451 2.202 0 40 KEAB biogenic,in-vitro C[C@H]1CCc2c(sc3nc(CN4CCN(S(=O)(=O)c5ccc6c(c5)OCCO6)CC4)[nH]c(=O)c23)C1 25515879 HCTFFGOFLRFESV-HNNXBMFYSA-N 516.645 2.387 0 40 KEAB CSCC[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCCN1CCOCC1 43732465 YKVGZWKJOPEVEC-SKPFHBQLSA-N 520.721 2.111 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)C2)cc1 60028825 NAMNFAPBKHTRFK-QGZVFWFLSA-N 531.616 2.325 0 40 KEAB COC(=O)c1cc(NS(=O)(=O)c2ccc(N3CCOCC3)c(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc(C(=O)OC)c1 100100049 OXOSAOPQRJDHME-SEMUBUJISA-N 595.630 2.209 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@@H]1[C@H](C[C@@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC 100492500 NWBWCXBPKTTZNQ-SJSQLTHASA-N 584.710 2.222 0 40 KEAB biogenic,in-vitro COc1ccc(CCNC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)cc1OC 101354095 FKMAHLALKVQTOE-UHFFFAOYSA-N 548.596 2.344 0 40 KEAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)NC(=O)NCc1ccccc1 103085948 KGJLXLUMPWEEDO-UHFFFAOYSA-N 536.610 2.380 0 40 KEAB CCOC(=O)c1c(NC(=O)COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)O)sc(C)c1C 103134431 NZIRPZBYYBFUFK-KPZWWZAWSA-N 533.024 2.405 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225024042 YWJVAFAVTODHNV-UHFFFAOYSA-N 515.632 2.485 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 226007587 BGMXXNQOQIMBIB-UHFFFAOYSA-N 519.620 2.420 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)F)cc4C4CC4)[C@@H]3SC2)s1 2732725 TYXCDQDQPWHCQL-KDOFPFPSSA-N 542.615 2.389 0 40 KEAB COc1ccccc1-c1ccnc(N[C@H]2CO[C@@H]3[C@@H](NS(=O)(=O)c4ccc(NC(C)=O)cc4)CO[C@H]23)n1 5433960 XNYYEUCNDPIIAX-NEUULRRLSA-N 525.587 2.036 0 40 KEAB biogenic,in-vitro CC(=O)Oc1ccc2c(C)c(CC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c(=O)oc2c1C 9410718 GVJXRBKIUOBWIV-XMMPIXPASA-N 520.538 2.388 0 40 KEAB COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1 12474087 LMRPFUXQWDNASC-NQIIRXRSSA-N 525.587 2.222 0 40 KEAB COc1ccc(N([C@@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)S(C)(=O)=O)cc1 20047811 RFCWJMGWWPHLKZ-INIZCTEOSA-N 511.622 2.282 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(Cl)cc2Cl)CC1 103009260 GLTYNNOVXSJFSL-UHFFFAOYSA-N 593.511 2.076 0 40 KEAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCCOC)cc1 222945102 PHMBIHSUCWOTDH-IBGZPJMESA-N 505.637 2.106 0 40 KEAB CC(=O)O[C@H]1C2=C(C)[C@H](OC(C)=O)C[C@@](O)([C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@]3(C)[C@@H]1O)C2(C)C 257609499 WPPPFZJNKLMYBW-ZGOGVGSOSA-N 630.687 2.015 0 40 KEAB biogenic Cc1ccc(S(=O)(=O)NCCN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2C)c(C)c1 575425778 WIWBJCPPVXMKAJ-HXUWFJFHSA-N 514.691 2.077 0 40 KEAB CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 1534688792 RCCBQPYIPSPBFI-DXTIBAFWSA-N 780.993 2.316 0 40 KEAB CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1 5249520 YKPKXXLFFFVROW-VEYUFSJPSA-N 558.536 2.427 0 40 KEAB CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCCC[C@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O 12978570 AFHRMNLDFOHPFI-GOSISDBHSA-N 507.632 2.167 0 40 KEAB CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1Br 15226319 YXJGNCQWWVBHSL-UHFFFAOYSA-N 510.410 2.288 0 40 KEAB O=S(=O)(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 44980781 FKWOXZLKTPOVNO-UHFFFAOYSA-N 517.423 2.306 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@]2(C)C[C@H](C)/C(=N/[C@H](C)[C@@H](O)[C@]1(C)O)O2 85867016 BPENQAXMHXRNMD-STTPQQQNSA-N 730.937 2.405 0 40 KEAB COC(=O)c1cc(NS(=O)(=O)c2ccc(N3CCOCC3)c(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc(C(=O)OC)c1 102994392 OXOSAOPQRJDHME-WAJMBDEPSA-N 595.630 2.209 0 40 KEAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3cc(OC)cc(OC)c3)C2)cc1 408659890 SZCFFKPXEIDDSX-IBGZPJMESA-N 541.557 2.336 0 40 KEAB O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)N(Cc1cnc[nH]1)C2 514287540 JOBGDTMLLGFLND-QIJYUAQKSA-N 537.661 2.247 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3ccnc3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 585275200 ZXEQOBQRAQYQID-NDEPHWFRSA-N 560.598 2.350 0 40 KEAB Cn1c(N)c(C(=O)CSc2nc3sc4c(c3c(=O)n2C2CCCC2)CCCC4)c(=O)n(C)c1=O 3258381 HJHASLBUMFQJMM-UHFFFAOYSA-N 501.634 2.407 0 40 KEAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23109518 NVIUWKUEADBAOL-UHFFFAOYSA-N 507.996 2.048 0 40 KEAB CCOC(=O)C1=C(COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)NC(=O)N[C@@H]1c1ccco1 24002459 GGLHGMBOLFPKPM-OAQYLSRUSA-N 517.560 2.482 0 40 KEAB CCCCOC(=O)C1=C(N)OC(CC(=O)OC)=C(C(=O)OC)[C@]12C(=O)Nc1ccc(Br)cc12 100988403 OVRTXQRVCGRWKL-QFIPXVFZSA-N 523.336 2.173 0 40 KEAB CC1=C[C@@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\C(=O)OCC[C@@H](C)[C@@H](O)C(=O)OC[C@]2(CC1)[C@@]4(C)[C@@]31CO1 102888473 NLUGUZJQJYVUHS-BFUQGUAESA-N 502.560 2.171 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)CC1 222593027 POOSXUMMTZQPIG-UHFFFAOYSA-N 530.068 2.152 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409038822 PPFDMFODJOCVBD-MLJBDGAYSA-N 582.631 2.463 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409166574 DEFWPZILGNTCJV-FWESEHMYSA-N 634.755 2.358 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3OCC(=O)O)C2=O)o1 409399219 GRCBEZOJRJVQAT-AWNIVKPZSA-N 509.265 2.394 0 40 KEAB COc1ccc(OCCN(C)C(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643579103 QECUYTWJCVBKQM-NSOVKSMOSA-N 602.688 2.299 0 40 KEAB CC(C)CNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCCCCCOc2ccccc2C(=O)N1 1615161892 XRWLQVPIYFVQOU-DQEYMECFSA-N 552.672 2.449 0 40 KEAB CC(C)(C)OC(=O)COc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2C[C@@H](n3ccc(O)nc3=O)[C@@H](O)[C@@H]2O)cc1 1848356684 GYMNUPCEBDZUNI-LONWNBDUSA-N 565.623 2.295 0 40 KEAB COc1ccc(CNC(=O)[C@H](CCSC)NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1OC 2148334 SXTXXGZKRSRLSZ-AABGKKOBSA-N 514.648 2.432 0 40 KEAB biogenic CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 8382335 MDPXIRWVLJUABC-FRMZJPPYSA-N 652.866 2.261 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22920309 JJUXMOIESFCXIO-UHFFFAOYSA-N 530.647 2.355 0 40 KEAB CCOC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2nc3ccccc3s2)CC1 101462651 GDXNLTDHUKMEKD-UHFFFAOYSA-N 529.648 2.494 0 40 KEAB CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@H](NC(=O)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)/C(O)=C/O)[C@H]1OC(C)=O 252478885 AWUHWCGAUJTMSZ-BKNRVJFSSA-N 697.694 2.014 0 40 KEAB O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(C4CCC(F)(F)CC4)C[C@@H]13)CC[C@@H]2O 253396828 FBSWNFRTLUSKLH-XHRGMSINSA-N 507.578 2.198 0 40 KEAB O=C(C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 408678974 GWGNFYSLICDKOR-UHFFFAOYSA-N 503.596 2.441 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccccc1OC 409108986 ZFYVJHPRCPWSNN-ZMIGGIFCSA-N 545.665 2.303 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 409166944 GRIDNMCYMHUPKQ-OXIKZWMZSA-N 577.659 2.045 0 40 KEAB CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)NC(=O)c2ccccc2OCCN(C)C1=O 643582716 VDRLAHIXBBNUNB-RRPNLBNLSA-N 577.726 2.338 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3ccnc3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 2037932399 AWEMANJQPLTAHV-LJAQVGFWSA-N 538.645 2.380 0 40 KEAB CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCOC)c2ccc(O)cc2)cc1 6601052 ACZHHEKDRQLDKU-HXUWFJFHSA-N 513.576 2.079 0 40 KEAB COCCCN(C(=O)CSCC(=O)Nc1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32981945 KZUMHJZHIAMBNN-UHFFFAOYSA-N 525.631 2.217 0 40 KEAB CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)O 33974798 WEPXGLCNGPXOQG-UFYCRDLUSA-N 529.556 2.434 0 40 KEAB in-vitro CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 70672459 NNWAGEQDNUVUNB-VNFNVIIVSA-N 558.536 2.280 0 40 KEAB Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)ccc12 71788406 HROCWSYDFDEDGG-DOPYIHRPSA-N 594.621 2.455 0 40 KEAB Cc1cc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)c2n(Cc3ccccc3)nc[n+]2n1 103782160 YQSORFICXFBVFB-UHFFFAOYSA-N 525.618 2.320 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225551225 QSNJUGKREUCALW-KRWDZBQOSA-N 558.078 2.409 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NCC(C)C)c1 260882200 IPQBVYFCJARQCD-HXUWFJFHSA-N 504.653 2.498 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409040890 VBDAOFIFRINDII-MYXKAAJQSA-N 577.615 2.071 0 40 KEAB Cc1ccccc1OCCN(C)C(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1 643578646 CPWFNMOBXYEIIR-ZEQRLZLVSA-N 552.672 2.403 0 40 KEAB COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(=O)O)N[C@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1OC 2130603 PXJBKSHAMFYIAA-RLLIMONSSA-N 541.988 2.494 0 40 KEAB biogenic COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N 6136199 GJCRPEPUAOAENO-HXUWFJFHSA-N 508.560 2.112 0 40 KEAB COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1OC 38145153 RRVONYLMXOLTDR-YCRPNKLZSA-N 543.602 2.113 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1 54313852 DNDNVEBKSDJSPY-NRFANRHFSA-N 503.525 2.183 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2F)CC1)Nc1ccc(Br)cc1 102100846 SOQQWMXEMIGJTR-NRFANRHFSA-N 532.414 2.066 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223446124 QGUHTOIFCOEWRP-NRFANRHFSA-N 519.620 2.176 0 40 KEAB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224502414 VBQQBMQTBLLHDP-HXUWFJFHSA-N 517.648 2.456 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225197231 OHZJAQRLKDKQKQ-HNNXBMFYSA-N 529.400 2.221 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225486331 ZZACAEUBUDGMJC-OAHLLOKOSA-N 540.436 2.150 0 40 KEAB CCN1C[C@@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H](C[C@@H]23)[C@@H]14)[C@]5(O)[C@@H]6OC 247943046 NWBWCXBPKTTZNQ-XCQHMKHBSA-N 584.710 2.222 0 40 KEAB biogenic COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(Cc5ccc(C(=O)O)cc5)C[C@H]4C(=O)NC[C@H]2O3)nn1 253408854 YURZXINRHCITBE-DXLYGPJMSA-N 618.691 2.137 0 40 KEAB CC(C)c1nc2ccccc2n1CCCC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)CO2 257297870 RJCSGRNRAQRSBW-WVXBCFDCSA-N 591.713 2.461 0 40 KEAB C[C@@H](OC(=O)OC1CCCCC1)OC(=O)C1=C(CSc2nnnn2CCN(C)C)CS[C@@H]2C(NC(=O)Cc3csc(N)n3)=C([O])N12 1560411609 LSTLTQRRIQZKQL-IQMFZBJNSA-N 694.842 2.342 0 40 KEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2c1ccc(OC)c2OC 12662687 WDILCRRJVPQYJF-MHPIHPPYSA-N 521.526 2.246 0 40 KEAB biogenic CCC(=O)O[C@H]1[C@H](O[C@H]2[C@H](C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@@H](C)O3)[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)C(=O)[C@@H](C)C[C@]2(C)O)O[C@@H](C)C[C@H]1N(C)C 85911532 LDPQBQHLRNRTEU-XCWSAYOESA-N 775.974 2.356 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 224530467 ZEXJCGOERBLLGX-OAQYLSRUSA-N 521.636 2.422 0 40 KEAB CCOc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1 260892397 YQWUEPORRXGPCS-LJQANCHMSA-N 539.676 2.220 0 40 KEAB COC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)OC)C(=O)CF 1350726960 DMOPIQAORMUTFR-CUPIEXAXSA-N 914.897 2.285 0 40 KEAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1 883619 QIBBGKHSLLNBHY-LJQANCHMSA-N 525.635 2.379 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc(Cl)cc3C)S(C)(=O)=O)CC2)cc1 10288082 VXBMFJLXBIHVKZ-UHFFFAOYSA-N 500.042 2.256 0 40 KEAB COc1cc(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)ccc1OCC(=O)N1CCOCC1 13129053 HGAQJDJNJMQVTG-UHFFFAOYSA-N 508.535 2.109 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 100886926 LSWGCTUTYCYFCC-AGIMELGASA-N 586.464 2.434 0 40 KEAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 103014350 FPOBNJWBZKNFDP-UHFFFAOYSA-N 549.715 2.297 0 40 KEAB Cc1cccc(C)c1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 224290630 QDKAPELAPBEQKN-UHFFFAOYSA-N 509.650 2.049 0 40 KEAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 226069555 ZILHFCUHBQRUOX-UHFFFAOYSA-N 507.678 2.376 0 40 KEAB CC(C)C[C@@H]1NC(=O)[C@H]([C@H](C)c2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O 252463626 JYHXDMQYXCMDPF-FANKBPOJSA-N 786.975 2.075 0 40 KEAB biogenic,in-vitro CNCC(=O)Nc1cc(Cl)ccc1OCCc1cc([C@@H]2CN(C(=O)c3ccc(N)nc3)CCO2)n[nH]1 257336705 YPRCJQHBXOUQJC-NRFANRHFSA-N 513.986 2.033 0 40 KEAB CC(C)CCN1CCC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548891129 XRMMXGJHIYWSLF-RPWUZVMVSA-N 549.734 2.484 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(Cl)cc1OC[C@H](N)Cc1ccccc1)C(=O)O 2037879554 DELMAECHCQCFNM-JLDOIHCFSA-N 547.052 2.268 0 40 KEAB CC(=O)N[C@@H](Cc1cccn1C)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 13564861 ZUKIKXMLUWXPGR-FQEVSTJZSA-N 500.543 2.061 0 40 KEAB COc1cc2c(cc1OC)-c1cc(NCCN3CCN(C(=O)c4ccc(F)cc4)CC3)nc(=O)n1CC2 20610560 NYHLISJTWUWCJN-UHFFFAOYSA-N 507.566 2.493 0 40 KEAB biogenic CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1ccc(O)c(OCC)c1 20674884 ANIKGQGDZAUMTM-ZEQRLZLVSA-N 524.574 2.044 0 40 KEAB Cc1ccn2c(=O)c(Cc3nnc(SCC(=O)NCc4nc5ccccc5n4C)n3C)c(C)nc2c1 41078199 FMGGSCLPYWRTMF-UHFFFAOYSA-N 502.604 2.326 0 40 KEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 59838440 VGEIJSWAYWTEQF-UHFFFAOYSA-N 542.079 2.078 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4ccc5c(c4)OCO5)C(=O)N23)cc1 150406925 XOPXGWXBPUWZIE-XMMPIXPASA-N 662.750 2.210 0 40 KEAB CC1(C)C[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@](C)(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 150480151 CUHVRZXBQZGONF-XYFQYJLHSA-N 676.858 2.473 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)cc1 225486513 SYLGMCKNISIHRD-UHFFFAOYSA-N 509.625 2.068 0 40 KEAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 408682593 ZUVLHKLTQLWQKP-UHFFFAOYSA-N 521.661 2.196 0 40 KEAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(N5CCN(C)CC5)o4)c(=O)n32)cc1OCC 408937644 HCCSQLDLBCULRE-QKSFETHESA-N 552.653 2.160 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 409156812 SUSSIYVTSHBDRR-RBXKPUFLSA-N 607.685 2.053 0 40 KEAB COC(=O)C[C@H](c1cccc(OCc2ccccn2)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O 524733689 FWZSTTXPISFIHA-HSZRJFAPSA-N 507.543 2.288 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3cccc(OC)c3)CC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 585287226 LCLUKVNLLTWMHM-PMERELPUSA-N 541.689 2.244 0 40 KEAB COc1cc(C(c2c(O)nc3n(c2=O)CCCS3)c2c(O)nc3n(c2=O)CCCS3)ccc1O 9335039 IFPFIAKDQXKXEA-UHFFFAOYSA-N 502.574 2.097 0 40 KEAB O=C(N[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)S(=O)(=O)c1ccc(Cl)cc1)c1ccco1 9764118 MEGUKHBKRPVUNY-FQEVSTJZSA-N 505.936 2.040 0 40 KEAB CCCCOc1ccc(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)cc1 13026774 ULZCMFOOCKNSII-UHFFFAOYSA-N 523.542 2.032 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2cccc(C)c2C)CC1 20084233 WTWUOBFOJICERD-RUZDIDTESA-N 517.590 2.418 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N 38144973 DLMDLMCQPMCULS-HRAATJIYSA-N 541.561 2.375 0 40 KEAB CN1CCN(C(=O)C[C@H]2CN(C(=O)CCCn3cncn3)CC[C@@H]2Oc2cccc(Br)c2)CC1 257296967 RFFHVWWCYTUXKQ-UGKGYDQZSA-N 533.471 2.281 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccccc3C)CC2)C[C@](O)(COc2cccc(F)c2F)C1 585287190 KPCJAUOVYGEOAU-MUUNZHRXSA-N 533.616 2.205 0 40 KEAB Cc1cccc2c1N(C(=O)COc1ccccc1)CCCN(C(C)C)CCN(C(=O)CNS(C)(=O)=O)C2 643564755 DIQSAHVBLZFHFQ-UHFFFAOYSA-N 530.691 2.399 0 40 KEAB C[C@H]1C=CC=CC=CC=CC=C[C@@H](O)[C@H](C(=O)O)[C@H](O)C[C@H](O)CCC[C@H](O)C[C@H](O)C[C@H](O)[C@@H](C)C(=O)O[C@@H]1C 958317925 ALFUZUYJAXAEKE-GASABHIFSA-N 580.715 2.192 0 40 KEAB Cn1cnc(S(=O)(=O)N2CCO[C@@H](c3cccc(Nc4ncc(CNS(=O)(=O)c5ccc(F)cc5)s4)n3)C2)c1 2037836219 UWMSTKAJAVOVNO-HXUWFJFHSA-N 593.688 2.395 0 40 KEAB COc1c2c(cc3c1[C@H](c1c(O)n(-c4ccc(Br)cc4)c(=O)[nH]c1=O)N(C)CC3)OCO2 20411623 SWSZBENMAVFENG-QGZVFWFLSA-N 502.321 2.309 0 40 KEAB biogenic COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@@H](C)C(=O)O)C(=O)[C@@H]23)cc1OC 100872253 YIGVFLRPDVBPHC-SPCIFCTQSA-N 516.597 2.400 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@H](C)C(=O)O)C(=O)[C@@H]23)ccc1O 100872411 PZCVHTJSHJYMSA-QTMPEOSWSA-N 502.570 2.097 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223801279 GZMTVBJGAVDMQQ-QGZVFWFLSA-N 507.584 2.306 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 224255249 URKIFXUVWNMBTQ-NRFANRHFSA-N 511.666 2.294 0 40 KEAB O=C(CN1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 257216563 CVBRYZJKCDNOPO-XNMGPUDCSA-N 529.659 2.486 0 40 KEAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 408594192 SVBZCUIIKYVSQC-VIZOYTHASA-N 569.283 2.434 0 40 KEAB CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCN(CC)CC)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O 643564363 GJUSJVWUBOHIST-HPJLMOCUSA-N 545.725 2.087 0 40 KEAB O=C(c1ccc2c(c1)Cc1cccc(c1)CN(C1CCOCC1)CCOCCO2)N1CCN(CCO)CC1 643580587 OYZSLKYZTIIXCQ-UHFFFAOYSA-N 523.674 2.418 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)N2CCN(C)CC2)NC(=O)c2ccccc2OCCCCCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1615160889 RPMPWSTULZLDQW-CHQNGUEUSA-N 676.859 2.277 0 40 KEAB CCc1nnc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)s1 6198387 MUNQUCGQZZTJHE-UHFFFAOYSA-N 506.013 2.280 0 40 KEAB O=C(Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2cc3c(cc21)OCO3)NCc1ccccc1 9274733 UXPMHIMVLGCJSA-UHFFFAOYSA-N 511.494 2.307 0 40 KEAB COc1ccc(CC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1CCOCC1 13005304 ITDHCLAYXPIMTC-UHFFFAOYSA-N 503.621 2.281 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 13632200 JOUQWGBVBPAOGK-UHFFFAOYSA-N 521.661 2.325 0 40 KEAB CCOC(=O)CN(C(=O)c1ccc(CN2CCOCC2)o1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 19825947 BBAUGLUGKINMIR-BWKNWUBXSA-N 531.581 2.293 0 40 KEAB CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 20031290 VUWBWVQQYANLMH-UHFFFAOYSA-N 509.650 2.115 0 40 KEAB CCOc1ccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)CC)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 36625488 WDFNGIYRGXHCOQ-XMMPIXPASA-N 501.605 2.004 0 40 KEAB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](CO)C(=O)O)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C 70699664 BMCVYNOMKBSIRU-FIJASVKDSA-N 571.715 2.389 0 40 KEAB CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 94303163 SFCZXSUFIPUMPQ-PPMMGFJDSA-N 729.732 2.015 0 40 KEAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]45)[C@H]23)ccc1O 100872277 YAIVYBNOQIIQME-WXIIEGHOSA-N 502.570 2.099 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223668940 GYORWECUNOVUKZ-LJQANCHMSA-N 503.621 2.476 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 225488351 KGFHFKOOVBATAF-OAHLLOKOSA-N 529.432 2.364 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 408695254 POWSXIQWISQDHH-UHFFFAOYSA-N 525.624 2.027 0 40 KEAB O=C(c1ccc2c(c1)OCO2)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1 643579168 VGITVYZQNCXGGZ-BJKOFHAPSA-N 539.629 2.374 0 40 KEAB O=C1NC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1nccs1)CC2 1548888993 DRCAHXLKEFPTSL-YADHBBJMSA-N 576.741 2.095 0 40 KEAB CC(C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCNC1=O 2037916330 VJSFCXIFORHRCB-LYVYPOQBSA-N 657.768 2.007 0 40 KEAB CC(C)C[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O 3934238 UCLMKQWLGHPTKX-ZCYQVOJMSA-N 562.689 2.285 0 40 KEAB O=C(CSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1)NC(=O)NC1CCCC1 13095916 GMDBKKVTDKAWIM-UHFFFAOYSA-N 517.677 2.449 0 40 KEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)C2=O)cc1OC 14092859 NRRHXPZOVBPGAF-DEOSSOPVSA-N 518.592 2.138 0 40 KEAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)cc1Cl 22248282 XNCLXMKZYBOKNP-JOCHJYFZSA-N 510.056 2.467 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(=O)[nH]c1=O 23078965 XCNUEKBIQSLASF-UHFFFAOYSA-N 529.619 2.037 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222629354 LIBLCMABGHRJLK-QGZVFWFLSA-N 507.584 2.306 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@@H](CC[C@@]4(C)[C@@H]3CC=C3[C@@H]5[C@H](C)[C@H](C)CC[C@@]5(C(=O)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]34C(=O)O)C2(C)C)[C@@H](O)[C@H](O)[C@@H]1O 253500553 AQLCKWUMMOZIEY-KCDNTSCOSA-N 794.976 2.265 0 40 KEAB biogenic,in-vitro Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)NC2(CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1 643576117 ILVXVKTZKMLQEO-CONSDPRKSA-N 699.853 2.330 0 40 KEAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2cccc(OC)c2)CC(=O)N[C@@H](CC(C)C)C1=O 643579069 OSMMWRLKSKPHMO-DQEYMECFSA-N 568.671 2.151 0 40 KEAB CCOC(=O)[C@@](NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)(OCC)C(F)(F)F 3991796 XVTYPPOTIYXWSW-GOSISDBHSA-N 521.474 2.266 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N 38144977 GYSZYIBYDQNLEG-JTSKRJEESA-N 555.588 2.418 0 40 KEAB CN(C)C(=O)COc1nc([C@@H]2CCCCN2CC(=O)N(C)C)nc2c1CN(C(=O)C1CCCCC1)CC2 72341284 GYNZCODGERBOIP-QFIPXVFZSA-N 514.671 2.024 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 100276355 MBIFDXWWIQCGET-VWLOTQADSA-N 539.612 2.342 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1OC 100277542 LBSAIQUTRGSPBD-YZIHRLCOSA-N 568.631 2.303 0 40 KEAB CCOC(=O)[C@@H](C)C[C@@H](C)C(=O)N1CCOCCN(C(=O)[C@H](C)C[C@@H](C)C(=O)OCC)CCOCC1 102695291 UAGMDKBSYWLEFF-YSFYHYPLSA-N 514.660 2.141 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409168088 KCNMMMRGWUHKBE-UNRSNATKSA-N 635.695 2.163 0 40 KEAB COc1ccc(OCCN(C)C(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3COc3ccccc3C(=O)N2)cc1 643578114 GNAXYHNXNMZHFE-HPKXWHFBSA-N 580.682 2.245 0 40 KEAB CCOc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1 6090072 IBADSAMBCJXYFP-SIKLNZKXSA-N 538.630 2.297 0 40 KEAB O=C(COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)N[C@H]1CCS(=O)(=O)C1 13122439 AYUGYWUCQMDRJP-JCOOBLOPSA-N 523.567 2.170 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)c4ccccc4O3)CC2)cc1 113633438 ANMKHRDNKLDGJZ-VWLOTQADSA-N 541.651 2.484 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2O[C@@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@]45C)C3(C)C)O[C@@H](C(=O)O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 253500566 AVJNWIDNAJCPRK-HROUGUJPSA-N 897.109 2.371 0 40 KEAB biogenic,in-vitro COCCNC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2cc(Br)ccc21 409137861 WYVAJKFNVVREGY-GRSHGNNSSA-N 565.446 2.062 0 40 KEAB CO[C@H]1CCCN(C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2-c2ccccc2)[C@H]1CC(=O)N[C@@H](CCC(N)=O)C(=O)O 643551787 ONRCFLVDKGAZKG-ZZTWKDBPSA-N 772.900 2.245 0 40 KEAB O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3332192 JYQFAQDPCJOSPY-UHFFFAOYSA-N 521.539 2.033 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(=O)[nH]c1=O 13009443 KRUHKRZVYHWQFD-LMKMVOKYSA-N 504.632 2.045 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3OC)CC2)cc1 13135019 BFPZLMXNNYXVBQ-UHFFFAOYSA-N 525.649 2.384 0 40 KEAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2C1=O 13146285 RSZNQJPAFAXPTR-UHFFFAOYSA-N 527.599 2.081 0 40 KEAB CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(C(=O)c2ccco2)CC1 20084207 VCNVZDCPMFXPCO-OAQYLSRUSA-N 505.535 2.139 0 40 KEAB CCCN(C(=O)CSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2o1)[C@H]1CCS(=O)(=O)C1 24746437 PPRNCXYRSGDYQV-HNNXBMFYSA-N 503.668 2.376 0 40 KEAB CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cc(C=O)ccc3OC)c2=O)cc1 45995763 ILALUQZGZNUUKG-UHFFFAOYSA-N 517.538 2.458 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)CSc2ccc(Br)cc2C)c(N)n(Cc2ccccc2)c1=O 103101005 RCZZSADYJXUYPB-UHFFFAOYSA-N 590.452 2.403 0 40 KEAB COC(=O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@H](c3ccc(OC)c(OC)c3)c3sc(=O)[nH]c3S[C@H]12 248138758 PYRQISFDANFGQF-AXFSNSGFSA-N 516.597 2.100 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@@H]1O 257610126 WQMLFJWIKARBFW-GHRJQCOQSA-N 520.663 2.456 0 40 KEAB biogenic,in-vitro Cc1c(N(C)S(=O)(=O)c2cc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)ccc2Cl)c(=O)n(-c2ccccc2)n1C 3353179 RYQIGUUOPNIBAB-XMMPIXPASA-N 567.089 2.270 0 40 KEAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)OCc1cc(=O)n2cc(Br)ccc2n1 3425931 PWYGTUAWIVCOEO-UHFFFAOYSA-N 531.182 2.241 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 5223464 DHEYTJVPOXJDMJ-QJEZIUSSSA-N 579.580 2.044 0 40 KEAB COc1ccc(NC(=O)CSCC(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 12695440 DQRRITYHHWBCAA-LJQANCHMSA-N 506.602 2.130 0 40 KEAB COCCn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 100369091 GJNAUHLMRNGTAQ-UHFFFAOYSA-N 536.589 2.194 0 40 KEAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5Cl)c4n3)CC2)cc1 100446268 XFIXFPVUVOTIQF-UHFFFAOYSA-N 592.103 2.447 0 40 KEAB O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)N1c1cccc(C(F)(F)F)c1 102988076 FPFTUAULPAVFSF-GOSISDBHSA-N 525.505 2.115 0 40 KEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC 222602191 BAZIWIWCXWPBRT-UHFFFAOYSA-N 511.622 2.138 0 40 KEAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c(Cl)c1 408636222 MENSPLVTFGVFFO-UHFFFAOYSA-N 516.956 2.086 0 40 KEAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408725923 QWALCLKKLNRDSD-ZZTDLJEGSA-N 503.646 2.055 0 40 KEAB CCOC(=O)N1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 409179625 SDEUHDAEBBGYHH-UHFFFAOYSA-N 551.618 2.217 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCCn3ccnc3)c(OC)c2)C[C@@](O)(COc2ccccc2)C1 585274514 ZJBHCRLKLLEXIK-LJAQVGFWSA-N 538.645 2.462 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N 6546639 OCRMPQYAIWIJOO-OAQYLSRUSA-N 543.577 2.035 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C 6546737 OLSIULMTMNUKHI-OAQYLSRUSA-N 525.587 2.214 0 40 KEAB COc1ccc(NC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc2ccc(OC)cc2)cc1 8429864 SOAYYDUFICWSIT-XPGKHFPBSA-N 588.566 2.008 0 40 KEAB CC(=O)N[C@H](Cc1cccn1C)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 13564864 VMXMEGQLKLGNGP-HXUWFJFHSA-N 500.543 2.061 0 40 KEAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2=O)cc1 14158484 IXFRXJUPRGFYOO-HHHXNRCGSA-N 526.659 2.425 0 40 KEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 20674972 KHFDURLZQBPPSJ-FGZHOGPDSA-N 514.554 2.380 0 40 KEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc2c(c1)OCCO2 60028115 DZMAJAGWXOMUEF-UHFFFAOYSA-N 532.600 2.448 0 40 KEAB COCCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 103019187 BRFUQKYFFMASKL-UHFFFAOYSA-N 543.646 2.202 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 225456054 UEMRHOIGSCVVAS-OAHLLOKOSA-N 512.426 2.387 0 40 KEAB Cc1oc(C)c(C(=O)Nc2ccc(NC(=O)C(=O)O)cc2)c1C(=O)Nc1ccc(NC(=O)C(=O)O)cc1 409198491 BHJOZMBPIJMDLM-UHFFFAOYSA-N 508.443 2.447 0 40 KEAB CC[C@@H](C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O 2964626 SDCAAGJNPAEIEF-QVKFZJNVSA-N 513.645 2.431 0 40 KEAB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)c2C(N)=O)C1 3007305 ZBBZWLCXMYVKGS-AWEZNQCLSA-N 504.634 2.425 0 40 KEAB CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1 12864983 JVPRGNILQOYVAN-QFIPXVFZSA-N 513.639 2.485 0 40 KEAB biogenic Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 13131172 WXJVIYLZSYUVTJ-UHFFFAOYSA-N 518.621 2.112 0 40 KEAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 13141453 NRFDFJPCUYREJO-GJZGRUSLSA-N 502.818 2.318 0 40 KEAB COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N32)c1OC 20411713 NEVDWTDKDOATCA-BKMJKUGQSA-N 504.587 2.202 0 40 KEAB biogenic COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1OC 100471855 DIEUTOQFTGFDQE-OAQYLSRUSA-N 543.617 2.198 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 139730939 MTQHECPSWIZHCK-UHFFFAOYSA-N 555.650 2.036 0 40 KEAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]2[C@H]2C[C@@H]3[C@@H]3C(=O)N(CCC(=O)O)C(=O)[C@@H]23)cc1OC 169678208 SQEAXPYQNGORDS-ITTKKAJXSA-N 516.597 2.402 0 40 KEAB CCc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O 224365836 FHBJTCWJQYPEJM-UHFFFAOYSA-N 523.677 2.385 0 40 KEAB COc1c([C@H](O)CC(C)C)ccc(Oc2c(O)cc(C)cc2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1C(=O)O 253398208 GSOMKADVURIZLA-XOEPBZCXSA-N 522.547 2.235 0 40 KEAB biogenic,in-vitro O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(C4Cc5ccccc5C4)C[C@@H]13)CC[C@H]2n1cc(CN2CCOCC2)nn1 253401927 NTDUCUBEFDBHOK-HJIIPFHSSA-N 655.800 2.092 0 40 KEAB C[C@@]1(O)CC2(CCN(C(=O)c3ccc4nc(C(F)(F)F)[nH]c4c3)CC2)OC[C@H]1n1cnc2c(N)nc(N)nc21 257307553 SZEXAEWVEJGCKC-IVZQSRNASA-N 545.526 2.273 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](O[C@H](C)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 575372277 OWMZHUQIGVVXJE-WRWKQFKJSA-N 959.904 2.003 0 40 KEAB CCN(C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1)[C@@H]1CCS(=O)(=O)C1 3377850 OUMXRQGCXYXTBK-HXUWFJFHSA-N 550.655 2.029 0 40 KEAB COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1 9030344 STCIMPRHAGYAII-DLBLZJNESA-N 524.595 2.451 0 40 KEAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12935363 IALLWFPKUDQIRG-MRXNPFEDSA-N 509.606 2.083 0 40 KEAB CC(=O)N[C@H](Cc1cccn1C)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 13564862 ZUKIKXMLUWXPGR-HXUWFJFHSA-N 500.543 2.061 0 40 KEAB COc1cccc(CNC(=O)Cn2cnc3c(nnn3Cc3cccc(C(F)(F)F)c3)c2=O)c1OC 40477165 ZTSDPVGHYLXULZ-UHFFFAOYSA-N 502.453 2.389 0 40 KEAB CCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 67337285 KIMCIXJCPAKUBL-UHFFFAOYSA-N 524.043 2.046 0 40 KEAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCN(CC(C)C)CC2)CC1 67337964 WBIHYBRJGIOHFL-UHFFFAOYSA-N 523.103 2.307 0 40 KEAB COc1ccc(OC)c(NC(=O)Cn2c3cc(=O)n(N4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c1 98042809 OANVVPCKIIEITP-UHFFFAOYSA-N 576.635 2.496 0 40 KEAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222699701 KMUDFCZXMWYEPJ-OAQYLSRUSA-N 517.648 2.420 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225026641 VKXIPPBWFMGNBD-QGZVFWFLSA-N 505.593 2.133 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 408843162 RPEOJNGURBKQHT-NYIUWGNGSA-N 538.578 2.279 0 40 KEAB CN1CC(=O)N(CCCOc2ccc(CN3CCOC[C@@](O)(COc4cccc(F)c4)C3)cc2)C1=O 585280942 UGMUTXWXJCFDGA-AREMUKBSSA-N 501.555 2.131 0 40 KEAB C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O 642771871 MLKQAGPAYHTNQQ-COGYQHHASA-N 650.850 2.434 0 40 KEAB Cc1ccc(CN2C[C@@H]3Oc4cc(-c5cccnc5)ccc4S(=O)(=O)NC[C@H](O)CN(C)[C@@H]3C2)cc1 1534612855 NZUOZHVGVSALKQ-GSLIJJQTSA-N 508.644 2.273 0 40 KEAB O=C(CCCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O)NCc1ccco1 4790082 LGAZRMRMUYAZRG-UHFFFAOYSA-N 529.597 2.202 0 40 KEAB COC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C[C@H]2CCCO2)c1 6238781 IFZSDWOMPZFLDX-GOSISDBHSA-N 500.529 2.413 0 40 KEAB Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2cccc(C)c2)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 9764256 YAHOTDHXRHVWLY-DEOSSOPVSA-N 509.584 2.411 0 40 KEAB Cc1cccc(CSCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1 32971923 PMBWYBXEVCBIGA-UHFFFAOYSA-N 503.669 2.464 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 59838213 VJMNJLZRNVFCON-AREMUKBSSA-N 557.694 2.222 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(OC(=O)C(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O 70665039 CMZZQMLGUMWKBW-DKOYFPBOSA-N 606.717 2.440 0 40 KEAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@H](C)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 102895822 RBTMJHUVQJHWII-INIZCTEOSA-N 533.006 2.233 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 223089672 AQNMFZIYZZDAGG-UHFFFAOYSA-N 551.687 2.462 0 40 KEAB COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 224439334 BJKODYDNIYXPSN-UHFFFAOYSA-N 603.719 2.415 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 224486241 ZGVMNZPYQQELTA-QFIPXVFZSA-N 574.121 2.409 0 40 KEAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1 408663549 YOYIEVKKIBUHRJ-MRXNPFEDSA-N 502.321 2.327 0 40 KEAB CN1CCC(N2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(C5CCCC5)ccc4C(=O)N3)CC[C@@H]2O)CC1 514287567 MQKKPGSMBQVUFF-USJHEHEUSA-N 554.732 2.418 0 40 KEAB Cc1cccc(OC[C@@]2(O)CN(Cc3ccc(OCCCN4C(=O)NC(C)(C)C4=O)cc3)CC[C@@H]2O)c1 585280888 BOFJYDXGPDXTSA-CUBQBAPOSA-N 511.619 2.471 0 40 KEAB COc1ccc(C2(O)CCC(N3CC[C@@H](NC(=O)CN(CS(=O)(=O)O)C(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 1570007128 CNDGVAROPGYRFF-AGHUKTAOSA-N 614.643 2.417 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 6546697 MHYYGOADGSYCKA-HXUWFJFHSA-N 529.550 2.039 0 40 KEAB CCN(C(=O)CSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC)[C@H]1CCS(=O)(=O)C1 12520222 MNEICUZJQRDBLB-INIZCTEOSA-N 516.711 2.214 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(=O)[nH]c1=O 12881861 SJGZGVWAKSOZQH-OAQYLSRUSA-N 507.591 2.460 0 40 KEAB CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCC(C)CC1)c1c(N)n(CCCC)c(=O)[nH]c1=O 12987406 LHUDNOGQYRDNLZ-UHFFFAOYSA-N 507.632 2.024 0 40 KEAB Cn1c(=O)c2c(ncn2CC(=O)O[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n(C)c1=O 15181741 KLMSCPWVNGQVFO-IBGZPJMESA-N 515.448 2.376 0 40 KEAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1 26117859 AMXJIVVYSSDFOH-UHFFFAOYSA-N 507.634 2.448 0 40 KEAB O=C(COC(=O)c1cccc(Br)c1)NCCNC(=O)COC(=O)c1cccc(Br)c1 38139480 CYWXZVHEPRTPHM-UHFFFAOYSA-N 542.180 2.458 0 40 KEAB CC(C)(O)[C@@H]1CC[C@@](C)([C@@H]2CC[C@]3(C)[C@H]4CC[C@H]5[C@](C)(C(=O)O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@@H](O)C[C@@H](O)[C@@]5(C)[C@@H]4CC[C@@]23C)O1 253529780 RMRBTLGKWDDWSB-GKYKDJPDSA-N 668.865 2.035 0 40 KEAB biogenic,in-vitro CCN(CC)CCNC(=O)[C@@H]1CCC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N1 643564839 IWSMUJDHTVWRNE-RBZQAINGSA-N 545.725 2.087 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6601368 LCIDNHXXQYQFLZ-NRFANRHFSA-N 543.577 2.429 0 40 KEAB COCCN(C(=O)COC(=O)Cc1ccc(Cl)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38150083 HDARPPHUMLUJIP-UHFFFAOYSA-N 535.384 2.239 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@@H](C)C(=O)O)C(=O)[C@@H]23)cc(OC)c1O 101174971 UQLSDJKSMCWMSD-RMXNESJHSA-N 532.596 2.106 0 40 KEAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 102778034 VAPQDDIQXRRDSZ-FQEVSTJZSA-N 532.040 2.075 0 40 KEAB Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1C 224365754 YIIUKDTXYBVOBT-UHFFFAOYSA-N 523.677 2.439 0 40 KEAB C[C@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 255274746 WBDDWIKJZNNKBQ-FGIVEGHUSA-N 766.966 2.492 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1 260718204 RSYODZUJTRJLLI-NRFANRHFSA-N 565.714 2.248 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)c1cc(Cl)ccc1OCCNCc1ccccc1)C(=O)O 2037879901 WIRLZIGCCMQCIT-JBUDQFAYSA-N 547.052 2.488 0 40 KEAB CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@@H](C(=O)NCCC(C)C)c1ccc(O)cc1 6546320 GWOMDLPYNKELAG-XMMPIXPASA-N 526.569 2.480 0 40 KEAB CCOC(=O)C1=CC2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3C1[C@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 8397545 CCYKAFXFMLGKTR-LZLUBVMQSA-N 530.533 2.364 0 40 KEAB CCN(C(=O)CSc1nc2cc(C(=O)O)ccc2c(=O)n1-c1ccccc1F)[C@H]1CCS(=O)(=O)C1 12540844 QMEGPHSCVJXNRD-HNNXBMFYSA-N 519.576 2.351 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 108929936 ZKIGFRYKIOVLTQ-XFDBEXRWSA-N 621.668 2.104 0 40 KEAB CO[C@@H]1[C@H](O)[C@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O 118923237 MABTYQWWFMMYTE-MGMAFTTQSA-N 550.689 2.225 0 40 KEAB COc1ccc(-c2noc(CNC(=O)CCc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)n2)cc1 223108283 CWULTAVBAJXBKI-UHFFFAOYSA-N 516.576 2.024 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(C)cc2)cc1 224445252 SIWSUGJPEQDDNM-UHFFFAOYSA-N 603.719 2.415 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)[C@@H](O)C[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253498695 LKRDZKPBAOKJBT-PTFMYIJJSA-N 780.949 2.218 0 40 KEAB biogenic CC(C)(O)[C@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@H]4CC[C@H]5[C@](C)(C(=O)O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@@H](O)C[C@@H](O)[C@@]5(C)[C@@H]4CC[C@@]23C)O1 253529778 RMRBTLGKWDDWSB-ADTBATTLSA-N 668.865 2.035 0 40 KEAB biogenic,in-vitro Cc1nccn1CC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCOCC2)C1 257288618 PUYVKFRIKCSWAO-RXVVDRJESA-N 505.413 2.499 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 408985780 NFQOJANCVCPVEE-WNSYTLDPSA-N 598.630 2.296 0 40 KEAB O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 409024629 LKDYRIRGIVZCCQ-JOCHJYFZSA-N 543.623 2.160 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409386438 FIOYFLFIHTUYSB-AYWGPLOBSA-N 549.580 2.217 0 40 KEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 585208220 VTBPFWMDJAMKQI-UHFFFAOYSA-N 501.531 2.455 0 40 KEAB CC(C)c1nccn1CCC(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 585283809 HVBJNFDPQZODRG-SANMLTNESA-N 502.587 2.461 0 40 KEAB O=C(CN1c2cncc(c2)C(=O)N(CC(=O)N2CCC[C@@H](O)C2)CCCCCOc2ccccc21)N1CCC[C@H](O)C1 643584610 HHAKOWFECJMGHD-FTJBHMTQSA-N 579.698 2.191 0 40 KEAB CCc1nccn1CC(=O)N1CCC2(CC=CC[C@H]3COCC[C@H]3NC(=O)[C@H](CC(C)C)NC2=O)CC1 2037880098 YWFAWMLRSCVMBD-ZRBLBEILSA-N 513.683 2.457 0 40 KEAB CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O 4066726 UDQCJOWXMPDCJZ-XFCANUNOSA-N 741.846 2.455 0 40 KEAB CC(=O)O[C@H](COC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(=O)c1ccccc1)OC(C)=O 5249524 WGARRJKOSNNSQG-VEYUFSJPSA-N 558.536 2.427 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1 6822222 BDYMOUQEYXBHNV-HXUWFJFHSA-N 513.576 2.355 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)n4cc(Cl)c(C)n4)[C@@H]3SC2)s1 12406506 OMERHHWMZXXOBP-WLTZMBQTSA-N 515.042 2.097 0 40 KEAB CCCCn1c(CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2cc(S(N)(=O)=O)ccc21 12584372 SOXJIVBTPJXTJZ-UHFFFAOYSA-N 506.650 2.290 0 40 KEAB CC(C)Oc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=O)N(C)C2=O)cc1 19703443 DYCDENDPVZVNHK-RTWAWAEBSA-N 506.603 2.334 0 40 KEAB biogenic CC(C)CN(C(=O)COC(=O)c1ccc(Br)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 24716316 AGCQODPCCQXTND-UHFFFAOYSA-N 519.352 2.369 0 40 KEAB Cc1noc(CCn2c(=O)c3cc4c(cc3n(CC(=O)Nc3ccccc3C(F)(F)F)c2=O)OCO4)n1 62728240 BQZPLSKPFYUHTJ-UHFFFAOYSA-N 517.420 2.484 0 40 KEAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCNS(=O)(=O)c3ccc(C)cc3)cc2)c1 222735590 MUFUUGBIAGPXOO-UHFFFAOYSA-N 533.628 2.278 0 40 KEAB Cc1cc(C)cc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1 224487312 JOKSHZBMGCDLLZ-UHFFFAOYSA-N 553.703 2.066 0 40 KEAB CC(=O)Nc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 409143036 MPUMLTMVHMEAHD-XMMPIXPASA-N 542.639 2.348 0 40 KEAB Cc1c([C@H](C)[C@@H]2NC[C@@H](C)C[C@@H]2O)ccc2c1C[C@H]1[C@H]2CC=C2C[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]21C 1857787589 WXQHVBNTINGJJR-XDPZEPIMSA-N 571.755 2.419 0 40 KEAB CC(C)[C@H](C(=O)N1CCOCCN(C(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O 4018376 YWZYNRWRRPTFIV-VSGBNLITSA-N 632.714 2.332 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)NC(=O)NC1CCCCC1)n2C 12546263 NPQCZKLBJLPQNH-UHFFFAOYSA-N 521.640 2.238 0 40 KEAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1S(=O)(=O)N1CCCC[C@H]1C 12549748 DWUNOPCOODZFEH-OAHLLOKOSA-N 509.606 2.335 0 40 KEAB Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3F)CC2)cc1Cl 19820873 ZQSPRLZBMOOLQH-JOCHJYFZSA-N 501.990 2.265 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccnc1)C(=S)NCCCN1CCOCC1)OCCO3 19940522 HTCIFMXYDDDNCL-UHFFFAOYSA-N 509.632 2.293 0 40 KEAB CC[C@H](C)NC(=O)Cn1c(=O)n(Cc2ccc(C(=O)N3CCCC3)cc2)c(=O)c2cc(OC)c(OC)cc21 64449297 BYEOKJHCNWACNC-SFHVURJKSA-N 522.602 2.379 0 40 KEAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 103014459 ZQVQTMCZJFQHTL-UHFFFAOYSA-N 534.541 2.340 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1Br 224290821 UJVMFVYQLVKHBE-UHFFFAOYSA-N 560.492 2.195 0 40 KEAB Cc1ccc2c(c1)O[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCOCC3)cc1)CN2S(=O)(=O)c1ccccc1 224477124 CZWCYVTYJBAFGA-HHHXNRCGSA-N 601.703 2.167 0 40 KEAB COC(=O)c1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccc(C(F)(F)F)cc4)C3)C2=O)cc1 225396409 KDFBIGYJZADRJW-RTWAWAEBSA-N 517.504 2.051 0 40 KEAB biogenic,in-vitro Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCc3cnn(C)c3)CCO2)ccc1Cl 585282767 ANKOGSULNJUYKK-AREMUKBSSA-N 518.058 2.155 0 40 KEAB CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O 643576253 SJIOONXVJZKUMG-NGDRWEMDSA-N 656.784 2.086 0 40 KEAB Cn1c(=O)oc2cc(NC(=O)CN3CCC[C@@]4(CC=CCOc5ccccc5C(=O)NCCNC4=O)C3)ccc21 2037879762 OQTONSWVMHMHHZ-LJAQVGFWSA-N 547.612 2.037 0 40 KEAB CN1C(=O)N(C)C(=O)C(Cc2cn(C)c3ccccc23)(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O 2126647 IYOUFVAUJIPHDU-RBUKOAKNSA-N 501.587 2.039 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C 6546769 CGHRIETYVZUEFI-OAQYLSRUSA-N 525.587 2.214 0 40 KEAB CCOc1cc(C(c2c(O)nc3n(c2=O)CCCS3)c2c(O)nc3n(c2=O)CCCS3)ccc1O 13765621 IAEAYCHDAFZGIQ-UHFFFAOYSA-N 516.601 2.487 0 40 KEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 20031438 AHYMTLANFSPAFG-HNNXBMFYSA-N 516.041 2.116 0 40 KEAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c(C)c1 59838490 ZBXRMNNFBUWKSC-UHFFFAOYSA-N 549.715 2.350 0 40 KEAB CCCn1cc(C(=O)N2CCSCC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1 67337043 HIDXOMJAHRVCSP-UHFFFAOYSA-N 507.682 2.392 0 40 KEAB COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)cc1 100626407 GWXKSZGNWIFDJC-BTYSJIOQSA-N 597.636 2.494 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 224222127 NRZFEUFRBPTPAJ-DEOSSOPVSA-N 545.639 2.088 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224316579 YSIDMLNLNRWXPM-QFIPXVFZSA-N 527.640 2.350 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1Cl 226079844 ZXRQEKPGOTYAJJ-UHFFFAOYSA-N 530.068 2.152 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)[C@@H](O)C[C@]54O)C3)O[C@H](C)[C@H]2O[C@H]2C[C@H](O)[C@H](O)[C@@H](C)O2)C[C@H](O)[C@@H]1O 253407092 VOZHMAAEBAYRLK-LFSQSOPTSA-N 780.949 2.218 0 40 KEAB biogenic,in-vitro CC1(C)CC[C@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 257534860 RROGHRHLBLVQSG-VTHWLHMRSA-N 766.966 2.494 0 40 KEAB biogenic,in-vitro O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCCCN1CCOCC1 408628263 VREWZYBCYZWEFS-UHFFFAOYSA-N 543.427 2.325 0 40 KEAB CSCC[C@H](NC(=O)CC1(c2oc(C)cc(=O)c2O)CCOCC1)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1547139749 ZOANTAREZJVUIX-HKBOAZHASA-N 571.696 2.138 0 40 KEAB biogenic CC(=O)Oc1cccc(N2C(=O)[C@H]3C4C=CC([C@@H]3C2=O)[C@H]2C(=O)N(c3cccc(OC(C)=O)c3)C(=O)[C@H]42)c1 6074033 VEKHGKTVBZNYIP-SATBIADZSA-N 514.490 2.264 0 40 KEAB O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 14358160 WIJBBSHRPUVJOY-IWENEADUSA-N 513.012 2.174 0 40 KEAB COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3cccc4ccccc34)CC2)c1 19821054 DCDYOBWSARKHSX-SANMLTNESA-N 515.614 2.326 0 40 KEAB Cc1cc2cc(CN(CCCN3CCOCC3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2cc1C 19824357 HIQJAEFPDITJOU-UHFFFAOYSA-N 515.724 2.266 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O 32990887 FENQHHXXKDOJKN-IBGZPJMESA-N 529.638 2.016 0 40 KEAB CCCn1cc(C(=O)N2CCN(C(C)C)CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1 67337053 BEBYCZUCZLWLSL-UHFFFAOYSA-N 532.711 2.369 0 40 KEAB O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccc(Br)o1 102993096 HRCSGJSOUSVBQB-UHFFFAOYSA-N 524.315 2.324 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 224460367 JNAYUIBHHCWPJR-UHFFFAOYSA-N 572.105 2.344 0 40 KEAB CC(C)(C)CCN1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](n4cc(CN5CCOCC5)nn4)[C@@H](CNC(=O)[C@@H]2C1)O3 253408792 YTBOYSJJPZETFP-RKDXIHMYSA-N 623.799 2.361 0 40 KEAB Cc1nc2cc(C(=O)N3CCC4(CC3)COC[C@@](C)(O)[C@H](n3cnc5c(N)ncnc53)C4)ccc2n1C 257263808 LRNUUIFNTCXZLA-CJFMBICVSA-N 504.595 2.239 0 40 KEAB O=C(COc1ccc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)cc1)Nc1ccc(Cl)cc1 408577641 IUSDAPSJCCZFAX-SFHVURJKSA-N 500.983 2.159 0 40 KEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 409390928 MHGQLWKTFQTAJP-NRFANRHFSA-N 515.632 2.477 0 40 KEAB COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1 643572878 KNXVTPKRYLYLPB-OMQKCRRYSA-N 687.794 2.446 0 40 KEAB O=C(O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 4537280 ZSOSVHOISBSKID-BJKOFHAPSA-N 503.555 2.452 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6547190 WDGTYIJBRJQJTP-KRWDZBQOSA-N 505.553 2.092 0 40 KEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1OCC(F)(F)F)CS2 12896834 ZTJKSXJJBORMBI-DNVCBOLYSA-N 523.555 2.041 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1 13636512 FNHBVLQCEXEAME-NRFANRHFSA-N 521.515 2.322 0 40 KEAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 14140836 SJTGKWCBPWNLRT-UHFFFAOYSA-N 517.551 2.392 0 40 KEAB Cc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2cc1C 19940843 ZCKPGLCLCSMFIA-YKSBVNFPSA-N 517.590 2.451 0 40 KEAB CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1 38784347 LVTZXEWYTJGTHZ-QHCPKHFHSA-N 512.010 2.020 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1 59838712 RFCIIZYPJRAGHZ-FQEVSTJZSA-N 551.687 2.205 0 40 KEAB CCOC(=O)[C@H]1CCCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)C1 67338350 KDCJFVNQMJKIFS-NRFANRHFSA-N 531.679 2.446 0 40 KEAB CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1 95626583 UZSVAKVMBBLRTM-QHCPKHFHSA-N 516.598 2.452 0 40 KEAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O 224457682 FWEHPQSVRPQROP-SFHVURJKSA-N 560.094 2.019 0 40 KEAB C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O)C[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@@H]4CC[C@]3(C)[C@]1(O)[C@H]2C 254700195 HVNSMSNIQCASPS-YCVNJJHXSA-N 578.743 2.263 0 40 KEAB biogenic,in-vitro C[C@@]1(O)CC2(CCN(C(=O)CCc3nc4ccc(Cl)cc4[nH]3)CC2)OC[C@H]1n1cnc2c(N)nc(N)nc21 257206254 BCPPJJNGEMKWNW-MZNJEOGPSA-N 540.028 2.227 0 40 KEAB CCOc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)cc1 408574811 DIFPZIHRIRMKMU-OAQYLSRUSA-N 524.618 2.294 0 40 KEAB COc1cc([C@@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc(OC)c1OC 524731688 HNAIFZSOXDCZOZ-IMFGXOCKSA-N 551.596 2.160 0 40 KEAB biogenic CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(Cc2cn(C)cn2)CCCCOC[C@@H](O)[C@H]1O 643586609 YJQRMTOQEZNTGD-ZONZVBGPSA-N 534.673 2.467 0 40 KEAB C[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 2060999931 WBDDWIKJZNNKBQ-SCKXPYMWSA-N 766.966 2.492 0 40 KEAB COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1C(=O)C1CCCCC1 4277820 VFPTTZGBKAATAG-IZZNHLLZSA-N 571.696 2.378 0 40 KEAB biogenic,in-vitro O=C(C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 20484039 VSGCFISGLVIUCA-UHFFFAOYSA-N 526.080 2.415 0 40 KEAB C[C@H]1CN(C(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)C[C@H](C)O1 33645638 ZCGOVPVDYILWKH-YESZJQIVSA-N 504.561 2.440 0 40 KEAB C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 67902681 MLKQAGPAYHTNQQ-LDTXFGGJSA-N 650.850 2.434 0 40 KEAB biogenic,in-vitro C[C@H](O)CN1CCC(CN(CC(=O)NCc2ccc(F)cc2)CC(=O)NCc2ccc(F)cc2)CC1 69878371 ONRZVSBWPYSUGD-FQEVSTJZSA-N 502.606 2.292 0 40 KEAB C[C@H]1CN(C[C@@H](O)COc2ccc(S(=O)(=O)c3ccc(OC[C@@H](O)CN4C[C@@H](C)O[C@H](C)C4)cc3)cc2)C[C@@H](C)O1 101210326 SXNYEHQZYJLEOA-GNPXQVHSSA-N 592.755 2.217 0 40 KEAB CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1)S(C)(=O)=O 223187152 NCMRSRWCSXLKEE-DEOSSOPVSA-N 512.607 2.368 0 40 KEAB Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c(C)c1 643579150 ROUACAGUCOJTES-ZEQRLZLVSA-N 552.672 2.369 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 631719 AIPIFVGMKVEDEF-VNSJDZJPSA-N 539.610 2.245 0 40 KEAB CC(=O)Oc1cccc(N2C(=O)[C@H]3C4C=CC([C@H]3C2=O)[C@H]2C(=O)N(c3cccc(OC(C)=O)c3)C(=O)[C@@H]42)c1 2069264 VEKHGKTVBZNYIP-DLMXUGLJSA-N 514.490 2.264 0 40 KEAB O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)N1c1cccc(C(F)(F)F)c1 2629578 FPFTUAULPAVFSF-SFHVURJKSA-N 525.505 2.115 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)CC2)cc1 38150089 OMSLDOPCAJMMBV-HHHXNRCGSA-N 536.610 2.149 0 40 KEAB COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)ccc3c2=O)cc1 59514743 YVGBFEBGTBXTIF-UHFFFAOYSA-N 528.565 2.433 0 40 KEAB CC(C)OCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 223043906 FVNYQZQPIZNLAP-XMMPIXPASA-N 503.665 2.449 0 40 KEAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 224346948 UMZHWIJXEXWSKA-UHFFFAOYSA-N 519.645 2.128 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(Cc5ccc(F)cc5)CCN4C3=O)O2)cn1 253400850 MBGXGQRCFSQWNC-KEQINOFFSA-N 577.657 2.360 0 40 KEAB C[C@@]1(O)CC2(CCN(C(=O)CCc3nc4ccc(Cl)cc4[nH]3)CC2)OC[C@H]1n1ccc(N)nc1=O 257238965 HNHGAYXTUPUBTG-WZONZLPQSA-N 500.987 2.062 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCCN3CCCC3=O)c(OC)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 585281724 QGYIOYYJXDCHLK-PMERELPUSA-N 591.652 2.465 0 40 KEAB CC(C)=CC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2F)[C@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O 3839148 XNXVEMUIGNHJPF-XJUOHMSHSA-N 513.545 2.235 0 40 KEAB biogenic,in-vitro CCOc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1 6090060 IBADSAMBCJXYFP-UGKGYDQZSA-N 538.630 2.297 0 40 KEAB O=C(CN1C(=O)CCC1=O)NC(=S)Nc1nc(-c2ccc(I)cc2)cs1 9404803 ZNAXBIKTQMBOLM-UHFFFAOYSA-N 500.343 2.377 0 40 KEAB O=C(Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2oc3ccccc3c21)Nc1ccc2c(c1)OCCO2 72332068 ACXAUCKLYPSBQU-UHFFFAOYSA-N 518.526 2.378 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 102965730 RNTZZLCNXJPCLR-VFFRCKCKSA-N 616.572 2.051 0 40 KEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)C2=O)cc1OC 108940086 JTJKOYLTVGCCAK-SHACYNPGSA-N 501.561 2.064 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(I)cc1 224371044 ZYYXOTTXYMJQPU-UHFFFAOYSA-N 621.519 2.427 0 40 KEAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCO2 224384977 XSRUBCWUKWGTTN-UHFFFAOYSA-N 567.686 2.331 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCn2ccnc2)CCC(=O)N[C@@H](c2ccccc2)C(=O)N(C)CC(=O)N1 643571471 BONKISFSNPTZSD-XKVYUHEQSA-N 659.788 2.207 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 6546586 LKKHPXYRPXMMBH-JOCHJYFZSA-N 550.597 2.382 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 6547001 JHFXNDAAHQSFBD-FQEVSTJZSA-N 529.550 2.039 0 40 KEAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)Oc2ccccc21 26112741 KEKVCSJFBQLYKH-GOSISDBHSA-N 508.603 2.500 0 40 KEAB COc1cc(C(=O)O)ccc1-[n+]1nc(-c2ccc(C(=O)NCCS(=O)(=O)O)cc2)nn1-c1nc2ccccc2s1 103652331 HMVVRELLZIOWHL-UHFFFAOYSA-O 581.612 2.145 0 40 KEAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1OC 224452334 OSAPKGZDQIUMHV-UHFFFAOYSA-N 619.718 2.359 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4C4CCCCC4)NC3=O)O2)cn1 514287492 GEJHVQFZVVLIHI-QIXRUXETSA-N 551.688 2.400 0 40 KEAB CC(C)c1ccc(S(=O)(=O)NCCN([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2ccc(C(C)C)cc2)cc1 575420101 FQYBNWCRBNBBFN-RPWUZVMVSA-N 558.744 2.061 0 40 KEAB CC(C)(C)OC(=O)CCOCC(COCCC(=O)OC(C)(C)C)(COCCC(=O)OC(C)(C)C)NC(=O)CN 575628215 DHCACWGWAAFOJT-UHFFFAOYSA-N 562.701 2.045 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2nc3ccccc3s2)CC1 6239140 XWWKYHCOYARDSM-HSZRJFAPSA-N 546.613 2.411 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2F)CC1)OCO3 6445589 XATHPEPYFMACGT-AVRWGWEMSA-N 533.564 2.473 0 40 KEAB COc1ccc(CCNC(=O)CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3o2)cc1OC 13138003 MIRCSYOTEDKFPW-UHFFFAOYSA-N 521.617 2.317 0 40 KEAB COc1cc(C(=O)NC[C@@H]2OCCc3ccccc32)ccc1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 79183241 MDJQNVLLOYHRIM-WIXJLUAUSA-N 643.642 2.201 0 40 KEAB biogenic Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCN(c2ccccc2)CC1 85875250 IGBIQAIZMGCIFK-YADHBBJMSA-N 501.631 2.194 0 40 KEAB biogenic CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(OC(=O)C(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)O 102804910 CMZZQMLGUMWKBW-TUUKDFBESA-N 606.717 2.440 0 40 KEAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@@H](C)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 102895818 RBTMJHUVQJHWII-MRXNPFEDSA-N 533.006 2.233 0 40 KEAB COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(Cl)cc2)C(=O)CN(C)S(C)(=O)=O)cc1OC 222817908 NCEGIVXYZPDIAH-QGZVFWFLSA-N 526.055 2.325 0 40 KEAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)Oc3ccccc32)cc1 260890718 QPFOXNXNEOBJJQ-HHHXNRCGSA-N 601.703 2.167 0 40 KEAB CC(C)c1ccc(S(=O)(=O)NCCN([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2ccc(C(C)C)cc2)cc1 575420100 FQYBNWCRBNBBFN-DNQXCXABSA-N 558.744 2.061 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)[C@H]2CCCNC2)CCCCOC[C@@H](O)[C@H]1O 643551368 HJKDTKBIMCBXRP-KVVRFYPFSA-N 551.700 2.060 0 40 KEAB CS(=O)(=O)NCC(=O)N1CCC2(CCCCOC[C@@H]3CCCN3C(=O)c3ccccc3OC2)CC1 643564010 USXJLYVNLRNKQK-FQEVSTJZSA-N 507.653 2.029 0 40 KEAB Cc1nc(=O)c2c(C)c(C(=O)N3CCC4(CCCCOC[C@H](C)NC(=O)[C@H](C)NC4=O)CC3)sc2[nH]1 643564134 NCXQHBNXNFRDSS-HOCLYGCPSA-N 517.652 2.034 0 40 KEAB COc1ccc(OC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c1 1222961 VIMDYYFTXBHZGU-UHFFFAOYSA-N 513.551 2.369 0 40 KEAB CC(C)=CC(=O)N1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O 4200868 XCDILXOERSHYLE-ZTCOLXNVSA-N 522.650 2.248 0 40 KEAB biogenic,in-vitro CCCc1nnc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)s1 9329409 AVXUMPTZNNDJQD-UHFFFAOYSA-N 516.045 2.404 0 40 KEAB O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 13004627 DMSCZLBYKKEWDS-UHFFFAOYSA-N 511.478 2.385 0 40 KEAB COC(=O)[C@@H](C)NC(=S)N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C[C@@H]1C 13655682 DSIWMBJGALIHHO-QWHCGFSZSA-N 520.583 2.129 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223623778 CWVADRWFHZOUNF-LJQANCHMSA-N 503.621 2.476 0 40 KEAB C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(S(C)(=O)=O)cc1 223877540 LJOOMKCBLQCTIJ-HNNXBMFYSA-N 500.042 2.171 0 40 KEAB CN1CCN(S(=O)(=O)c2cc(C(=O)NCc3cccc(CN4CCOCC4)c3)ccc2Cl)CC1 224744119 OHSCAQVFZZSFEO-UHFFFAOYSA-N 507.056 2.038 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 225278434 HLMXCOUCXFOSGT-UHFFFAOYSA-N 521.661 2.252 0 40 KEAB CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC)c1ccc2c(c1)OCCO2 225400311 PZWMDOMKZPHCHC-INIZCTEOSA-N 510.012 2.431 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)C)cc1 225678319 DUXRXRRPDLZIFQ-SFHVURJKSA-N 508.616 2.389 0 40 KEAB CC[C@@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2cccc(F)c2)NC(=O)c2ccccc2OCCN(C)C1=O 643561748 GJCJHFGWMJSVEJ-MOADCYBESA-N 526.609 2.055 0 40 KEAB CC[C@H]1OCC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 675082407 SVGWWNYKARZWAY-VPKBUKKNSA-N 761.991 2.482 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCCC2(CCN(C(=O)Nc4ccccc4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 1548890560 SZQVJPJYFLJVDP-RPWUZVMVSA-N 594.694 2.176 0 40 KEAB CCOCCCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1 12635252 XDUBIKLDJRDUKB-UHFFFAOYSA-N 502.597 2.344 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)o1 12716788 CYYNJBDXZLPTFX-YDHSSHFGSA-N 512.567 2.187 0 40 KEAB CCOc1ccc(/C=C/C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1OC 32971919 AWQFYWHUTQUNFC-ZRDIBKRKSA-N 529.638 2.343 0 40 KEAB Cn1c(=O)c2c(nc(SCc3nc(N)nc(N4CCCCC4)n3)n2Cc2ccccc2Cl)n(C)c1=O 98007082 QILIHMFDACKNSF-UHFFFAOYSA-N 528.042 2.185 0 40 KEAB CCCN1CN([C@@H](C(=O)N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)O)c2ccc(O)cc2)CSC1=S 104298010 IRUWZZNOSLXSML-WFXMFSGNSA-N 524.690 2.026 0 40 KEAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)c(F)c1 224336867 ZQDYMFKEXGWFBA-UHFFFAOYSA-N 545.630 2.491 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 224458895 SQYLZHBDMLXGMH-UHFFFAOYSA-N 545.639 2.317 0 40 KEAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1C 260888202 JXTVWLPSKQIFNP-HXUWFJFHSA-N 523.677 2.438 0 40 KEAB CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C(=O)C2CCC2)CC3=O)CC1 514287627 RNXCIHLDDJQBMI-JTSNCVQCSA-N 508.663 2.393 0 40 KEAB Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)COc2ccccc2C(=O)N1 643570979 PHHVTZZCCIXXMB-RZFJZAQRSA-N 582.746 2.339 0 40 KEAB O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)N1CCN(C(=O)c2ccco2)CC1 3300646 NTRJMUIJZJFIAN-UHFFFAOYSA-N 552.591 2.034 0 40 KEAB COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3nnn(-c4ccc(F)cc4)c3C)s2)cc1 8770691 IOFWOOCKPPWGGS-RWEWTDSWSA-N 523.550 2.184 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)NOCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 12351721 LOTMRORIWFTLBQ-UHFFFAOYSA-N 535.932 2.271 0 40 KEAB CCOC(=O)c1cn(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O 33357590 USRGEVLQMUTZGM-UHFFFAOYSA-N 602.597 2.156 0 40 KEAB CCOC(=O)C1CCN([C@H](c2cc3cc(OCC)ccc3[nH]c2=O)c2nnnn2C[C@H]2CCCO2)CC1 57594917 LHBWOFKDPWJMRS-NFBKMPQASA-N 510.595 2.457 0 40 KEAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC 59838304 SHPQAOMWPPGQSH-QHCPKHFHSA-N 561.682 2.160 0 40 KEAB O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 97945764 MFOURVNLBVKWCS-UHFFFAOYSA-N 536.636 2.120 0 40 KEAB C[C@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 100162570 FVTZFOPRUPQXSV-WSXGHEPNSA-N 524.577 2.038 0 40 KEAB O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 103024392 AOIGNFSJXFFQEM-HYARGMPZSA-N 568.633 2.015 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3nnc(NC(=O)c4ccccc4Cl)s3)CC2)cc1 224958635 BDWMUJHSFYDGJV-UHFFFAOYSA-N 542.064 2.447 0 40 KEAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N32)cc1OC 20412403 AGBNLBCOLQOBPS-CUNXSJBXSA-N 504.587 2.202 0 40 KEAB biogenic CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 100955098 GAXSDVMYRKMXAR-NPHOHLEASA-N 544.509 2.085 0 40 KEAB CC[C@]12C=CCN3CC[C@]4(c5cc(Br)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 104246680 OTYOQSWRKXGMLS-OZCANKJTSA-N 535.435 2.404 0 40 KEAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 223446326 HPZHBIYKYRKYAF-JOCHJYFZSA-N 504.653 2.478 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@H](O)C[C@@H](O[C@@H]3[C@H](O)C[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)[C@H](O)C[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@H]1O 253629638 LKRDZKPBAOKJBT-MJDNTRPOSA-N 780.949 2.218 0 40 KEAB COc1cc(C(=O)O[C@H](C(=O)NCc2ccccn2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O 409381804 WIVJPTZKPKIKBA-IZZNHLLZSA-N 624.555 2.101 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3OCC(=O)N3CCOCC3)C2=O)o1 409398483 BENZCFBWVLOQKE-LICLKQGHSA-N 578.372 2.168 0 40 KEAB C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@]3(C)C(=O)C[C@]3(C)[C@H]([C@](C)(O)C/C=C/C(C)(C)O)CC[C@]43C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 1534688764 NSUQGQVHWQJWMJ-QHNRSWFSSA-N 780.993 2.276 0 40 KEAB Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)sc2nc3n(c(=O)c12)CCCCC3 2653295 IBPWVDRECBKRFV-ZDUSSCGKSA-N 504.590 2.324 0 40 KEAB CC(C)C(=O)OC[C@H]1O[C@@H](n2cnc3c(=S)nc(N)[nH]c32)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C 4895987 JYRIUPYSGARBLC-LJGDNWOOSA-N 509.585 2.303 0 40 KEAB NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1 20032001 GTWUSKJSXKNNGY-CQSZACIVSA-N 506.433 2.358 0 40 KEAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 34873217 TXNONSGNBHFNET-WMZHIEFXSA-N 503.602 2.447 0 40 KEAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 102243417 TYLXKJFJIJSOMO-UHFFFAOYSA-N 535.566 2.364 0 40 KEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc2)n1 139703636 UGXXGZOSRYGTJK-UHFFFAOYSA-N 545.643 2.309 0 40 KEAB CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1C(=O)N1CCCC1 224239102 FAIRMCLETWSMTA-UHFFFAOYSA-N 527.690 2.252 0 40 KEAB CCn1c(CCCC(=O)N2CCC3(CC2)C[C@@](C)(O)[C@H](n2cnc4c(N)nc(N)nc42)CO3)nc2ccccc21 257222757 DUPKRTCJLRSRGS-NFQMXDRXSA-N 547.664 2.457 0 40 KEAB Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)n1 643576453 JRVSSSVHTUYKKQ-KCHLEUMXSA-N 674.824 2.306 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643579046 ODCLZMPQVJGGOM-SVBPBHIXSA-N 572.662 2.291 0 40 KEAB O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 3315090 CIJROOGLSLWMBR-UHFFFAOYSA-N 532.578 2.304 0 40 KEAB CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)CC(=O)Nc1ccccc1Br 13149689 CGRMDZIGTUZWKA-UHFFFAOYSA-N 522.425 2.429 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 14092972 ZIECGFZOZVAGQL-UHFFFAOYSA-N 529.084 2.316 0 40 KEAB CCOC(=O)C1=C(COC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)NC(=O)N[C@@H]1c1ccco1 24002484 LFPJTAOACCQWJI-HXUWFJFHSA-N 505.549 2.338 0 40 KEAB CSC[C@@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C 31674006 NJBBLOIWMSYVCQ-GSTLAZBSSA-N 667.854 2.366 0 40 KEAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59837382 RJPNVORDYRNEQY-UHFFFAOYSA-N 535.688 2.347 0 40 KEAB CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1 67903290 CJHYKSSBQRABTM-QIKQBZTRSA-N 650.850 2.435 0 40 KEAB biogenic,in-vitro COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 97998468 VOHYSFSHGWMINE-LYRGBEMXSA-N 536.562 2.267 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)cc1OC 100284810 RPURFPKBAHBNQE-VGSWGCGISA-N 555.613 2.230 0 40 KEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21 100877506 WADQRMHZWHSJRG-LCUIJRPUSA-N 580.710 2.219 0 40 KEAB COC(=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]1c1ccc(OC)c(OC)c1 100971567 PYRQISFDANFGQF-VONSBMPBSA-N 516.597 2.100 0 40 KEAB CCOC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@]4(O)C[C@@H](OC(C)=O)C[C@H]5OC(C)(C)OC[C@]54[C@H]3[C@H](O)C[C@]12C 119224897 LGDAHNTXQYCQII-RBDIQNMBSA-N 510.624 2.082 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643551079 RHEBHKDGZAECIT-GOTSBHOMSA-N 559.063 2.405 0 40 KEAB CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCc2ccc(OC)c(OC)c2)NC(=O)c2ccccc2OCCN(C)C1=O 643565474 FOVNQAJOUXHFJC-GTFGCAHESA-N 582.698 2.323 0 40 KEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 59838454 YEUFXGQHRXSJNE-UHFFFAOYSA-N 586.530 2.187 0 40 KEAB Cc1c(CC(=O)NCC(=O)N[C@H](C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)O)C(C)C)c(=O)oc2c(C)c(O)ccc12 70704993 PNVZYXYHNDYFGV-BWKNWUBXSA-N 586.041 2.380 0 40 KEAB biogenic CO[C@]1(N)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CS[C@@H]21 100011563 QGXKMJVEULWQSB-ISKFKSNPSA-N 524.628 2.106 0 40 KEAB COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)ccc1-n1cnnn1 100337462 KMFNRTYGVYFDHW-NFQMXDRXSA-N 571.598 2.387 0 40 KEAB CCOC(=O)C1=C(COC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)NC(=O)N[C@@H]1C 101010300 STFBVIYPTBFLSC-OAHLLOKOSA-N 529.571 2.122 0 40 KEAB NS(=O)(=O)c1ccc(CCN(Cc2nc3ccsc3c(=O)[nH]2)Cc2nc3ccsc3c(=O)[nH]2)cc1 102898848 JQSOCWLSZSUODG-UHFFFAOYSA-N 528.641 2.175 0 40 KEAB C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222877801 BWKUENQGOMUFOG-QHCPKHFHSA-N 574.719 2.409 0 40 KEAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(C(=O)N4CCOCC4)c3)n2)cc1 223594844 NWKUINROEYSPRA-UHFFFAOYSA-N 502.549 2.095 0 40 KEAB CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@H](C)C(=O)O)C(=O)[C@@H]23)ccc1O 245237184 XUUMTQZOYYLJEH-XWUSPAERSA-N 516.597 2.487 0 40 KEAB COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)cc1OC 408663654 AYDFABLAAYZSJK-CQSZACIVSA-N 520.336 2.142 0 40 KEAB CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCC(N)=O)c(=O)n21 408974040 WIRHIIDFFMTWRJ-BLJGQIRFSA-N 616.092 2.350 0 40 KEAB Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CN(C(=O)CCc3cnn(C)c3)CCO2)ccc1Cl 585286802 QVVXJPQKTGGGGP-VWLOTQADSA-N 505.015 2.240 0 40 KEAB CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCC2)CCC(=O)NC2(CCCC2)C(=O)N1 643577041 ASYFPJIQNPVMTF-BJKOFHAPSA-N 555.720 2.130 0 40 KEAB Cc1ccc(OCCN(C)C(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643579158 RRTUCIUKXRRIJV-RPBOFIJWSA-N 552.672 2.403 0 40 KEAB COC[C@@H]1O[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)C=C([C@@H]4CC[C@H]5[C@]6(C)CC[C@@H](C(C)(C)O[C@@H]7O[C@H](COC)[C@H](O)[C@H](O)[C@@H]7NC(C)=O)O[C@H]6[C@@H](O)C[C@]45C)CC[C@@H]3O2)[C@H](NC(C)=O)[C@H](O)[C@H]1O 1772591683 LFQPVWALRWUAGY-GQOBCQRSSA-N 925.167 2.398 0 40 KEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)/N=c2/sccn2Cc2ccc(C)cc2)cc1 13076231 FYZXDAZXYRGPFA-LRDZBDLTSA-N 503.602 2.252 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CCn3nc(C(F)(F)F)c(Br)c3C3CC3)[C@H]2SC1 17356903 NUOQPJBWTMYGPF-SCLBCKFNSA-N 581.367 2.234 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]2C[C@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC 100763066 NWBWCXBPKTTZNQ-KIZKKGPYSA-N 584.710 2.222 0 40 KEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21 100877602 XXZFJNOWBVPCOZ-KSHNMARYSA-N 580.710 2.075 0 40 KEAB CC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n12 100936024 NXXZUVBMMIOJQO-SGEPLTRUSA-N 510.369 2.360 0 40 KEAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]45)[C@H]23)cc(OC)c1O 101174965 ROLCDTGTILUQPA-GDGSTYCVSA-N 532.596 2.107 0 40 KEAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(C(=O)N4CCOCC4)c3)n2)cc1 223595339 YWJZIIQZKISKGE-UHFFFAOYSA-N 516.576 2.437 0 40 KEAB CC[C@@H](NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(S(C)(=O)=O)cc1 225069121 RLHPIVXLVLZEIM-JOCHJYFZSA-N 524.661 2.320 0 40 KEAB CC(=O)N1CCCN(Cc2ccccn2)CCN(C(=O)C2CCN(CCC(N)=O)CC2)Cc2ccccc21 643566984 NOWDMBOIBNSMAT-UHFFFAOYSA-N 520.678 2.256 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(C2CCCCC2)CC1)OCO3 20080856 KNZGKSKDOAKUAP-CJFMBICVSA-N 521.622 2.462 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O 24772976 JGDIRZDHOYPEFW-QGZVFWFLSA-N 506.003 2.104 0 40 KEAB COc1cc(/C=c2/sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)ccc1O 96913838 QEUQPXVRXITPMN-YDLLTVCASA-N 527.606 2.333 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@@H]32)ccc1O 100922182 KIZHCISLNFIAEA-VONSBMPBSA-N 516.597 2.489 0 40 KEAB C[C@H]1O[C@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253499067 LTMHDMANZUZIPE-BKGDVLBQSA-N 780.949 2.218 0 40 KEAB biogenic CC1(C)CC2(CCN(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)CN1S(C)(=O)=O 257326738 WYKSDSSKYHLJOX-UHFFFAOYSA-N 526.725 2.326 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 585274694 MBBUQVBWTDIRMX-NDEPHWFRSA-N 560.598 2.350 0 40 KEAB COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC 643565133 BURSGFMPSJTWMS-ZEQRLZLVSA-N 582.698 2.323 0 40 KEAB CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)N3CCN(CCN(C)C)CC3)cc2C1 643575409 JFEKWSHRQRXDIR-UHFFFAOYSA-N 501.716 2.214 0 40 KEAB CC(C)CN(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@H]1CCS(=O)(=O)C1 12938045 PKDYQEMWNHVJTM-AWEZNQCLSA-N 501.026 2.499 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)CC2)c(C)c1 66124192 PCOXOVQLIVMLFG-UHFFFAOYSA-N 542.079 2.124 0 40 KEAB COc1cc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc(OC)c1 100306924 IOUOYEFTLSCGHV-UHFFFAOYSA-N 533.632 2.251 0 40 KEAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1OC 140019859 VNCFRYFMBDGTQK-UHFFFAOYSA-N 535.604 2.008 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2O[C@@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@]45C)C3(C)C)O[C@@H](C(=O)O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O 253500568 AVJNWIDNAJCPRK-XHAVMJKJSA-N 897.109 2.371 0 40 KEAB biogenic,in-vitro CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2cccc3ccccc23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 257346734 QMXHRZRGBPKKEW-NLPWIYRPSA-N 532.571 2.209 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cccn3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 585273361 CWBXHWPXAYZMCK-NDEPHWFRSA-N 560.598 2.350 0 40 KEAB CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OC[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC1=O 643564754 DGOWBJITHCHESE-NFAPWKBDSA-N 656.869 2.372 0 40 KEAB COc1cc(C)ccc1OCCNC(=O)[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2COc2ccccc2C(=O)N1 643578459 WDHYFZXJUWASIW-QSJFZTKYSA-N 580.682 2.212 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)n4ncc(Cl)c4C)[C@@H]3SC2)s1 16210581 XYRPGPNXVVZDQD-WLTZMBQTSA-N 515.042 2.097 0 40 KEAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222931311 FSMJJYTXHQPXQD-OAQYLSRUSA-N 547.674 2.429 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NCC(C)C)cc1 224470501 BRMKICJDHHJDGP-FQEVSTJZSA-N 504.653 2.498 0 40 KEAB COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c(OC)c1 225687463 XCUUUIHGLXNQGT-IBGZPJMESA-N 505.637 2.454 0 40 KEAB COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)N5CCOCC5)c(OC)c4)c(=O)n32)c1 409176206 YSNBNPJTDRRCQT-ZSWKDXAVSA-N 651.738 2.450 0 40 KEAB CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C(Br)=C(Br)C1=O 606241732 NRCHSTUDEZBNCB-UHFFFAOYSA-N 735.460 2.221 0 40 KEAB CCN(C(=O)CSc1nc(-c2ccc(OC)cc2)n[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32945217 VPXLWKGAKIGAFR-UHFFFAOYSA-N 507.576 2.106 0 40 KEAB Cc1ccc(-c2nnc(SCC(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)n2N)cc1 38152793 HYNSBZGUGYXVAK-UHFFFAOYSA-N 534.646 2.229 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](n2cnc3c(Sc4ccc(C)cc4)nc(N)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 65734259 VJKAWCGXGIQVPS-VGYLUTEMSA-N 515.548 2.192 0 40 KEAB CCCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)CC1 67337002 GJWROAVMMUAQJL-UHFFFAOYSA-N 532.711 2.371 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)O)C(C)C 70699672 TUYUARLXNQWHBX-ZMVGRULKSA-N 522.602 2.230 0 40 KEAB biogenic O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 103108370 AYEYYLQALXSMRJ-UHFFFAOYSA-N 594.646 2.091 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 105501269 CGLLGWZEENHTLO-ZYDFGXJWSA-N 536.562 2.461 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1nc(-c2cccc(C)c2)no1 222827157 AIHUYUFWOFRADL-UHFFFAOYSA-N 500.577 2.324 0 40 KEAB CSc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1NC(C)=O 224720114 JFAXXAPAMKGRAJ-UHFFFAOYSA-N 512.679 2.412 0 40 KEAB Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)cc1 408577719 JBKSVQHHZDSKAH-IBGZPJMESA-N 515.010 2.467 0 40 KEAB O=C(CN1C(=O)N/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O)Nc1ccc(F)cc1 409376106 UNHPLNWGEJDSAN-UNOMPAQXSA-N 561.364 2.357 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)N4CCOCC4)cc3Br)C2=O)o1 409400970 WSANRQQRPJDEPM-MFOYZWKCSA-N 578.372 2.168 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C[C@@](O)(COc2cccc(F)c2F)C1 585286899 KASLHBAZXXEJHH-MHZLTWQESA-N 537.579 2.036 0 40 KEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1 1560408719 DMGRHVLAFOFDBP-XCZPVHLTSA-N 579.718 2.031 0 40 KEAB CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)c2C(N)=O)C1 4177744 YSABFGJJUNTTEZ-HUUCEWRRSA-N 506.650 2.275 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2NS(=O)(=O)c2cc(OC)ccc2OC)c1 15305271 LRPCGQIDHXTFAY-HDICACEKSA-N 514.622 2.289 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1 19941069 NYPTYLHHSPRVSJ-DEOSSOPVSA-N 523.638 2.367 0 40 KEAB NS(=O)(=O)c1ccc(CNC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 20032970 CFAYRILDMAJBGJ-UHFFFAOYSA-N 501.630 2.104 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 59838446 BUGAQTXZXVAGON-UHFFFAOYSA-N 544.493 2.417 0 40 KEAB CCN1C[C@]2(COC)CC[C@H](OC(C)=O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](OC(C)=O)([C@H]5[C@H]6OC(C)=O)[C@@H]([C@H](OC)[C@H]23)[C@@H]14 85340980 TWHJAEKWJMCVDA-CVXKQLJXSA-N 563.688 2.214 0 40 KEAB biogenic,in-vitro CCOc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)CC2)c(OCC)cc1-n1cnnn1 100446131 FRGLPEXSBAMGER-UHFFFAOYSA-N 624.659 2.456 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC 100763063 NWBWCXBPKTTZNQ-LGHJKAGDSA-N 584.710 2.222 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3cc4c(cc3c(=O)n2CCCC(=O)NCc2ccc3c(c2)OCO3)OCO4)cc1 150444493 IENJRRVIKYWZGE-UHFFFAOYSA-N 681.749 2.049 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224469255 VNKQNSGGZSGUOY-JOCHJYFZSA-N 560.094 2.101 0 40 KEAB Cc1csc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)n1 643568433 BXSUZHKFEFBPGV-DQEYMECFSA-N 607.733 2.363 0 40 KEAB CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@H]3C[C@@H](O)[C@@]12C 2060999645 VOWJAFYNABYJKY-ZQFWLHAQSA-N 785.025 2.149 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C(F)F)c(Cl)c4C)[C@@H]3SC2)s1 2732815 UKYSLASHEMIDQU-LRDDRELGSA-N 551.022 2.473 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c1N 6445390 LHPPUIMZSHLSJJ-OAQYLSRUSA-N 522.587 2.437 0 40 KEAB Cc1cccc(OCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C 23080067 WKZIEXKFUDOXEV-UHFFFAOYSA-N 508.575 2.395 0 40 KEAB COCCN(C(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 97982430 BXAKWEPOYRRMIC-UHFFFAOYSA-N 535.384 2.239 0 40 KEAB O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 103116791 OPMOQIIVMOMEET-QHCPKHFHSA-N 536.031 2.345 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 216429103 JRUAREJITFKPCD-UHFFFAOYSA-N 509.606 2.087 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 222627658 UVMKOGQHIVRUAR-UHFFFAOYSA-N 509.650 2.080 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CC2)cc1 225534180 QKIUGNFDTRPDIC-LJQANCHMSA-N 509.625 2.068 0 40 KEAB COC(=O)Cc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc5c(c4)n(C)c(=O)n5C)c(=O)n32)cc1 409090914 NPXOYLHYOZNLBY-SCRHHBKZSA-N 574.659 2.093 0 40 KEAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1I 409128887 SUDPSVKKBPROGW-MHWRWJLKSA-N 560.366 2.128 0 40 KEAB CCn1cc(NC(=O)CN2CCC[C@@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)c(C)n1 2037879700 LUNFYPCOFAKRSI-MHZLTWQESA-N 508.623 2.117 0 40 KEAB CCOC(=O)c1c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)sc(C(C)=O)c1C 6195067 DNCAJDXZVPZROJ-UHFFFAOYSA-N 521.621 2.495 0 40 KEAB CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 11616300 DLOHHVQNOMRHQK-ORYMTKCHSA-N 730.844 2.416 0 40 KEAB CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1ccc(OC(=O)C(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O 70665043 CMZZQMLGUMWKBW-WJBHACNQSA-N 606.717 2.440 0 40 KEAB CCCn1nnnc1CN1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)n2Cc2nnnn2CCC)CC1 102838148 UQIHTMHEUSLSCG-UHFFFAOYSA-N 580.748 2.346 0 40 KEAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(OC(=O)c3ccccc3)cc2)cc1 106346908 VMZJSXLZUGJXFH-UHFFFAOYSA-N 524.551 2.035 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)CC2)cc1 225520512 NSURLAVAAYGAEV-OAQYLSRUSA-N 505.662 2.237 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 408828991 KEMFPBMTDBYINY-AXADVEHHSA-N 568.604 2.288 0 40 KEAB COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NCc2ccccn2)ccc1OC(C)=O 409381797 WIVJPTZKPKIKBA-CLJLJLNGSA-N 624.555 2.101 0 40 KEAB Cc1cc(OC[C@]2(CC(=O)N3CCCCC3)CN(C(=O)CN3CCN(C)CC3)CCO2)ccc1Cl 585285569 LKVYDQBRCQUFPK-SANMLTNESA-N 507.075 2.275 0 40 KEAB O=C1C[C@H](Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)C(=O)N1c1ccc(F)cc1 3426598 WGBKPRMVIORCIT-SFHVURJKSA-N 518.548 2.321 0 40 KEAB CCOC(=O)[C@H]1C(c2ccc(N(C)C)cc2)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F 16682660 LCQMJMOTMRIGEZ-GVKCAXMISA-N 516.435 2.300 0 40 KEAB COCCN(C(=O)COC(=O)CCC(=O)c1cc(C)sc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 97982514 YHHWDJRSSIUFCK-UHFFFAOYSA-N 542.614 2.031 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 222794783 KCGYMAYJXDTOTK-OAHLLOKOSA-N 512.426 2.387 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)CCn4nc(C(F)(F)F)cc4C)[C@H]3SC2)s1 2809728 PSPRBEWXKFTTPP-CZUORRHYSA-N 548.594 2.291 0 40 KEAB O=C(O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 9108906 AJMBRLXZJKKOLO-ZEQRLZLVSA-N 512.522 2.473 0 40 KEAB biogenic COc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)C(C)C)cc1 12631099 UBPCOCYFDAIAJN-QHCPKHFHSA-N 505.593 2.017 0 40 KEAB CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CSCc2ccccc2)CC1 14361315 CISMOKBRDJMODH-UHFFFAOYSA-N 504.678 2.331 0 40 KEAB CCN(C(=O)COC(=O)CCCOc1ccc(C(C)=O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32666510 XUTMHVMQYDCZQT-UHFFFAOYSA-N 522.558 2.125 0 40 KEAB CO[C@H]1C[C@H]2C=C[C@H]3[C@H]4O[C@@]2(/C(C)=C/[C@@H](C)[C@@H]([C@@H](C)O)OC1=O)[C@H]3[C@H](O)[C@H](C)[C@@H]4OC(=O)c1ccc[nH]1 100403473 YEUSSARNQQYBKH-QEAOTZSUSA-N 515.603 2.400 0 40 KEAB CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 135956998 NNWAGEQDNUVUNB-MASCHLQQSA-N 558.536 2.280 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 225655906 RLMDUKAKMBZMHY-SFHVURJKSA-N 521.636 2.420 0 40 KEAB O=C(Cn1c[n+](N[N+](=O)[O-])cn1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1F)CN2Cc1ccc(Cl)cc1 257279365 OGGKXXHNLUIRNC-MQSCRBSSSA-N 532.959 2.354 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 685314 PQKCSZJAFMCFBW-GJISQHIDSA-N 552.653 2.160 0 40 KEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1 16035553 VSXSINUPFVSHRO-XMMPIXPASA-N 500.577 2.276 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20083713 CYBVWVMURSUSFD-AREMUKBSSA-N 531.617 2.414 0 40 KEAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1S(=O)(=O)N1CCCCC1 72138448 ZBHZDFHXAGPLPD-UHFFFAOYSA-N 537.660 2.451 0 40 KEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)C1=O 97961058 VQQTUOFUXIZWLX-OVCLIPMQSA-N 534.319 2.461 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@@H](OC)C[C@](O)([C@H](C[C@@H]23)[C@@H]14)[C@@]5(O)[C@H]6OC 100392565 NWBWCXBPKTTZNQ-JSDVMIEWSA-N 584.710 2.222 0 40 KEAB biogenic,in-vitro CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C1=O 103139646 HMHBLMRKQGJXAA-BFIDETRKSA-N 532.594 2.419 0 40 KEAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O 409371413 WJUAXAXXXAYLPW-HMHNVIDESA-N 513.366 2.285 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4Cc4ccc(F)cc4)NC3=O)O2)cn1 514287491 GCUXGLMPSUFKCG-INWNYEGYSA-N 577.657 2.406 0 40 KEAB CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCCCCCOc3ccccc3C(=O)N2)CC1 1615162118 ZQZZFMYTSRTHQD-NSOVKSMOSA-N 591.753 2.478 0 40 KEAB COc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@@H]2CCCO2)cc1 13136744 TWRBGIYEIJKVHK-FQEVSTJZSA-N 504.609 2.358 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(=O)[nH]c1=O 23074730 JCMQXHFXIIMDGR-UHFFFAOYSA-N 505.641 2.396 0 40 KEAB C[C@@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 37858393 WBWWGRHZICKQGZ-JLDPGSARSA-N 515.713 2.368 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1OCC 44980810 CBQVSYPNQJABLH-UHFFFAOYSA-N 514.622 2.196 0 40 KEAB CC(=O)OCC(=O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@@]4(O)C[C@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@@H]3CC[C@]12C 253597079 ZTWWQCOHUBHIGI-UALPPTFHSA-N 508.608 2.482 0 40 KEAB CCOC(=O)/C=c1\s/c(=C/c2ccc(OC)cc2OC)c(=O)n1CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 585139637 WZUFIDFJMAVUPY-LRNQNOAYSA-N 502.633 2.040 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3[C](SC2)[C@H](NC(=O)Cn2cc(Cl)c(=O)c(Cl)c2)C3=O)s1 1560405402 WBVUZVXLAHHAHN-GFCCVEGCSA-N 547.447 2.009 0 40 KEAB C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C)O[C@H]2O[C@@H]2C[C@H](O)CC3=CC[C@H]4[C@@H]5C[C@@H]6O[C@]7(CC[C@@H](C)CO7)[C@@H](C)[C@H]6[C@@]5(C)CC[C@@H]4[C@]32C)[C@H](O)[C@H](O)[C@H]1O 2061000514 OWGURJWJHWYCIQ-LQLAAKESSA-N 722.913 2.388 0 40 KEAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1 1333401 YCTFKSKHNCFTAN-UHFFFAOYSA-N 519.601 2.130 0 40 KEAB COc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(N)=O)N(C(=O)C=C(C)C)C2)cc1 4200875 QPZNJSLOJCEIEP-AMDXRBSFSA-N 546.628 2.447 0 40 KEAB biogenic,in-vitro COCCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 6904951 LRQVWJRNNPWPOA-LJQANCHMSA-N 501.540 2.123 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(=O)NCCCC(=O)O 103515609 ZBIZBROUWHRQBT-DXPJPUQTSA-N 573.643 2.212 0 40 KEAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 224346497 QOOYSENRNQJLQH-UHFFFAOYSA-N 507.634 2.128 0 40 KEAB COc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 224439247 ZMADZUQKFBSIMC-UHFFFAOYSA-N 603.719 2.415 0 40 KEAB C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)C3(C)C)[C@@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 253390273 CLQAMCIMWDLXGK-UIICTJDOSA-N 911.092 2.465 0 40 KEAB biogenic,in-vitro CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Br 408592544 MLDFIYSDPVBWFT-VZUCSPMQSA-N 506.103 2.131 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC 408979449 COESVYCGLMOKFF-GXPYYPFNSA-N 538.578 2.279 0 40 KEAB COC(=O)CCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2oc(=O)cc(C)c2c1 1350723931 ACVZSVFQDICQGT-DQEYMECFSA-N 622.675 2.073 0 40 KEAB COC(=O)[C@H](C)OC(=O)COc1ccc2c(=O)c(-c3ccc(OCC(=O)O[C@H](C)C(=O)OC)cc3)coc2c1 2061000178 WZZRQTSPYAVWSS-CVEARBPZSA-N 542.493 2.427 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccccc2OC)CC1 6136242 HHUCXEIUWPSCDD-RUZDIDTESA-N 535.605 2.098 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1 6547061 YKZQLAZQLLYDRV-NRFANRHFSA-N 525.587 2.214 0 40 KEAB CCOC(=O)C1=C(COC(=O)CCn2nc(-c3cccs3)oc2=O)NC(=O)N[C@@H]1c1ccc(C)o1 12782242 QQRXKBSZNUZIDS-GOSISDBHSA-N 502.505 2.271 0 40 KEAB C[C@@H](C(=O)NCCCCCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 15772416 UFFKXJPWXQBZPZ-HDICACEKSA-N 518.570 2.149 0 40 KEAB COc1cc(C(=O)NCCN2CCOCC2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 22254217 VCVMXPQZKXNAOS-UHFFFAOYSA-N 512.028 2.385 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O 24772984 JGDIRZDHOYPEFW-KRWDZBQOSA-N 506.003 2.104 0 40 KEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)C1=O 32859599 CJAPMRLRCYVPJH-RUZDIDTESA-N 516.595 2.133 0 40 KEAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H](CC(C)C)NC(N)=O)ccc2N2CCOCC2)cc1 32999902 NBCLWKWNAXKWCF-FQEVSTJZSA-N 519.624 2.354 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(Cl)cc3)c2=O)=C(C(N)=O)[C@H]1c1ccc(Cl)cc1 36092145 BGXVQPAACRZHSG-YTBHAWNYSA-N 516.406 2.169 0 40 KEAB CCn1cc(C(=O)N2CCN(C(C)C)CC2)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)n1 67337483 ZYLCLLPSTRKGFL-UHFFFAOYSA-N 502.685 2.197 0 40 KEAB COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc(OC)c1OC 96021885 KJQDPTHEALVKIQ-KRWDZBQOSA-N 531.587 2.092 0 40 KEAB NC(=O)c1nsc(C(=O)N(CCN2CCOCC2)[C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)c1N 100289691 QCBPNASDJGRXHK-OAQYLSRUSA-N 549.097 2.442 0 40 KEAB C[C@@H](Oc1ccc(NC(=O)OCCO)cc1)C(=O)OCCOC(=O)[C@@H](C)Oc1ccc(NC(=O)OCCO)cc1 114671338 PSEZQAKIOLPMMN-QZTJIDSGSA-N 564.544 2.089 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223579959 FXWCIRMLMFYKPQ-IBGZPJMESA-N 503.621 2.476 0 40 KEAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1S(=O)(=O)N1CCN(C)CC1 224399871 KVFBJMTXIBFSTL-UHFFFAOYSA-N 518.661 2.031 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 409164527 JTKGBAFXGDBBID-GWXSLXSZSA-N 637.711 2.062 0 40 KEAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O 643572780 HXXMXXXJTYAKHN-WDXDTELGSA-N 644.169 2.202 0 40 KEAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 1775966870 JSJZBTPSLBPKBT-UHFFFAOYSA-N 527.646 2.236 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N 6546644 VZHDOPCDLJGVLI-HXUWFJFHSA-N 513.551 2.026 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 8451482 KRJPQFMYVYQMBR-INJUALFYSA-N 539.610 2.245 0 40 KEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccc(S(C)(=O)=O)c4)o3)cc2)C[C@@H](C)O1 12498307 MYPVBMCDVRPVDR-GASCZTMLSA-N 520.589 2.190 0 40 KEAB O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCCC1)Cc1ccco1)Nc1ccc2c(c1)OCO2 19941248 DKYMUTRJEHENMS-PGUFJCEWSA-N 503.577 2.173 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N 38144975 DLMDLMCQPMCULS-IIBYNOLFSA-N 541.561 2.375 0 40 KEAB C[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)COc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O 67898938 HAGRXIQWFTVOSN-PHCNURHLSA-N 515.695 2.458 0 40 KEAB biogenic,in-vitro COCCOC(=O)c1c(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)sc(C(N)=O)c1C 103059802 ZDAXPTVLTSGBKP-NSHDSACASA-N 596.467 2.114 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OCC 210867733 KGVKBGRFXALBLN-OFCKJYIJSA-N 565.648 2.460 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 224999401 ZSMHYBHZRXMZKK-GOSISDBHSA-N 508.616 2.391 0 40 KEAB CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(CCC(C)(C)C)C[C@H]3C(=O)NC[C@H]1O2 253396856 FCIMKEFPJASFAP-FEVSWUGISA-N 514.667 2.200 0 40 KEAB CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643565903 LLABBJIEQXJODN-PZGSVQSZSA-N 526.609 2.055 0 40 KEAB Nc1ccc(C(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cn1 643577739 FMSLLBCOWQYLQE-BJKOFHAPSA-N 510.635 2.227 0 40 KEAB Cn1c(=O)c2c(nc(N3CCN(c4ccccc4)CC3)n2CC(=O)c2ccc(Br)cc2)n(C)c1=O 1238413 QFYSSJWVMFWLGD-UHFFFAOYSA-N 537.418 2.406 0 40 KEAB COc1ccc(CCn2c(=O)c3cc4c(=O)n(CCc5ccc(OC)c(OC)c5)c(=O)c4cc3c2=O)cc1OC 3119222 VCWWYWHXLFMROL-UHFFFAOYSA-N 544.560 2.432 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)cc1 6973688 LESWJPKDTYJUIZ-NQIIRXRSSA-N 525.587 2.222 0 40 KEAB CCOC(=O)/C=c1\s/c(=C\c2ccc(C(=O)OC)cc2)c(=O)n1Cc1cc(Cl)cc2c1OCOC2 13014763 LYPLMWUTZVDLRE-OIMPSZIESA-N 515.971 2.437 0 40 KEAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(c4ccccc4OC)CC3)cc2c1 19973339 GJFRFYNXLYHAJK-RUZDIDTESA-N 519.606 2.480 0 40 KEAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 103113560 YQHUXNDHUPNLCN-UHFFFAOYSA-N 526.589 2.062 0 40 KEAB CCN(C(=O)COC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 103136285 ZFOWEZKRCWRZJA-ZDUSSCGKSA-N 529.464 2.120 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224251654 MYDVJHGCWJAUCB-OAQYLSRUSA-N 503.621 2.476 0 40 KEAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O 260892502 ZEQVFJIHZPVAPC-MRXNPFEDSA-N 518.057 2.248 0 40 KEAB O=C(CN1CCc2ccccc2C1)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1 643578426 BSHRHUCNDQOMME-URLMMPGGSA-N 564.727 2.390 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1[C@]3(C)CC[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C 1857777787 RWXIFXNRCLMQCD-BRFBKONYSA-N 785.025 2.149 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 12566282 VFLMNZRYWSBXTM-UHFFFAOYSA-N 502.014 2.172 0 40 KEAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)Oc2ccccc21 22513515 FKWCBWPPMHXHFP-NRFANRHFSA-N 509.606 2.036 0 40 KEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)C1=O 32978481 DLXCGEQEKGWMBO-HHHXNRCGSA-N 507.591 2.156 0 40 KEAB COc1ccccc1N1CCN(C(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)CC1 72329738 NUPCINFGOAKKON-UHFFFAOYSA-N 518.530 2.149 0 40 KEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc2c(c1)OCO2 112256271 PRCOHQBYXPVGAG-UHFFFAOYSA-N 524.602 2.467 0 40 KEAB C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224253013 UFBQUDZHCJCRRS-OAHLLOKOSA-N 537.582 2.305 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224578777 MRLVHHBDCPVHTB-OAQYLSRUSA-N 519.620 2.176 0 40 KEAB O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)N(Cc1ncc[nH]1)C2 514287587 OKWFXOVTOZAJID-ZUGAHZRVSA-N 545.640 2.257 0 40 KEAB CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@H](O[C@@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)C[C@@H]3OC[C@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@@H](OC(=O)[C@@H](O)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 2061001048 ZVEGOBHUZTXSFK-ZXUBHLNLSA-N 986.033 2.199 0 40 KEAB COC(=O)C1=C(N)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1 2262102 MKMRCLPGQIRTNZ-NIFLVVHWSA-N 517.390 2.467 0 40 KEAB COC(=O)C1CCN(C(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ccc(C(F)(F)F)cc3)N2C)CC1 35442340 AAFOVBCKNPMMAI-XJUOHMSHSA-N 524.584 2.270 0 40 KEAB biogenic,in-vitro COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2=O)cc(OC)c1OC 97980222 WJNKRJYXJAPIEK-PXLXIMEGSA-N 591.664 2.200 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)cc1 102911063 PKNDMOPPKMFHGQ-RUZDIDTESA-N 530.603 2.284 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 222757007 XYXMNSHIQQTERZ-XMMPIXPASA-N 509.584 2.426 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 224425557 USCNHGKAYIPVBJ-NRFANRHFSA-N 535.688 2.457 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NC[C@@H](O)c2ccccc2)NC(=O)c2ccccc2OC[C@@H](C(C)C)NC1=O 643565434 ZEROKHNZGRTCSL-ASDGIDEWSA-N 566.699 2.479 0 40 KEAB CC(C)C[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CC(=O)N1C 643571402 KOYXNPQOAIANGX-DCAGSKGISA-N 706.885 2.235 0 40 KEAB O=C(CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 3279825 CKOWCPYUDWWZEC-NDEPHWFRSA-N 532.622 2.152 0 40 KEAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1 100876848 PMXXCYXJOSKQNB-HIDBMEOHSA-N 580.710 2.218 0 40 KEAB C[C@@H](C(=O)NCCO)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222874364 XVWLMYXBLCPCNK-IBGZPJMESA-N 505.612 2.069 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224378649 JPXKVLHRRJAKFH-HXUWFJFHSA-N 507.584 2.306 0 40 KEAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224608269 OGFUFDPJDVSERK-OAQYLSRUSA-N 505.637 2.456 0 40 KEAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)c1 408651728 DRBCZYIVMQHNGV-AWEZNQCLSA-N 520.336 2.142 0 40 KEAB Cn1c(=O)c2c(SCC(=O)N3CCN(c4ccccc4)CC3)nc(-c3ccc(F)cc3)nc2n(C)c1=O 9382548 GIYDOTOLRZXXIC-UHFFFAOYSA-N 520.590 2.274 0 40 KEAB COc1cc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)C[C@H]2CCCO2)ccc1-n1cnnn1 12635234 QPRNUHWGVKXIGQ-GOSISDBHSA-N 500.581 2.096 0 40 KEAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1)c1ccccc1 20032396 YMOLBZSBGKPTNT-QGZVFWFLSA-N 503.602 2.069 0 40 KEAB CCOC(=O)c1[nH]c(COC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)c(C(=O)OCC)c1C 32691738 RHSSBDWQKXYNKD-UHFFFAOYSA-N 505.549 2.239 0 40 KEAB CCCN(C(=O)COC(=O)COc1ccc(Cl)cc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 62575456 RAGRVQLFPSRAQB-UHFFFAOYSA-N 514.966 2.494 0 40 KEAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)OC)C1 97963530 NNMDIXHUOGSWMB-UHFFFAOYSA-N 537.616 2.323 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(OC)cc4OC)o3)cc2)CC1 97963808 BTCUNSRKZYAAEI-UHFFFAOYSA-N 545.574 2.469 0 40 KEAB COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1 170593562 CJIALWJKWYIUOU-YIJPIXHESA-N 566.394 2.394 0 40 KEAB C[C@H](C(=O)NCc1cccnc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222857067 PCXKQUFPFNRBRR-OAQYLSRUSA-N 570.643 2.354 0 40 KEAB CCN(c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)S(=O)(=O)CC 224337825 ONIGEHBMAKYFQL-UHFFFAOYSA-N 509.650 2.456 0 40 KEAB Cc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 224434917 JYJVSHPHLHUULS-UHFFFAOYSA-N 573.693 2.406 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)cc3)c(=O)n2[C@@H]1c1ccccc1Cl 409200355 KZGGTJHVSVOTPQ-GSERBOKHSA-N 511.987 2.316 0 40 KEAB CC(C)(C)OC(=O)CN(CCNC(=O)C(F)(F)F)CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C 38995376 FBVPJOYSURPZDJ-UHFFFAOYSA-N 541.608 2.294 0 40 KEAB in-vitro CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223489451 VAYHMHLSSWWZID-OAQYLSRUSA-N 503.621 2.210 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 224466343 CFCDHKOVWVFJMW-UHFFFAOYSA-N 551.668 2.379 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 408702723 NYIXVXWTLOGERG-UHFFFAOYSA-N 507.634 2.443 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1cccs1 409174681 NUQAFQOFSNWXAG-VOZFUJEASA-N 553.662 2.097 0 40 KEAB COCC(=O)N1C[C@H](CC(C)C)N(C(=O)/C=C/c2cccc(C)c2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1 643551398 JDTGTBZJJWMCRL-GNUJXXAMSA-N 534.694 2.274 0 40 KEAB CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(CC3CCCCC3)C[C@H]21 1534613778 YCQKDDAWSSXMLO-ARNLJNQMSA-N 507.697 2.177 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(F)cc4F)o3)[C@@H]2SC1 9431601 DOFPZHNBLIUWEV-UTKZUKDTSA-N 508.455 2.052 0 40 KEAB O=C1NC[C@H]2O[C@H](CCOc3cc(-c4ccccc4)ccc3C(=O)N3CCN(C4CCOCC4)C[C@@H]13)CC[C@@H]2O 253406328 UKIGEPNNKIWNBZ-KEQINOFFSA-N 549.668 2.466 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1 260890796 SGRICEDNVYNBCT-NRFANRHFSA-N 565.714 2.466 0 40 KEAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 408557480 MYNWBZCRKORNBA-UHFFFAOYSA-N 502.014 2.426 0 40 KEAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCC(=O)O)c(OC)c2)C1=O 409105231 KBDRAIHARVTMML-OPYOOOJUSA-N 521.285 2.361 0 40 KEAB CC(C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643569012 JDHKQXATTJAYHX-DHLKQENFSA-N 526.609 2.055 0 40 KEAB Cc1nn(CCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c(C)c1C 643575536 HNBCVSQSZKIBCM-AYQJTBPPSA-N 687.842 2.270 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC(N3CCOCC3)CC2)CC(=O)N[C@@H](CC(C)C)C1=O 643584453 AWKWGAFQNMPAGF-SVBPBHIXSA-N 599.773 2.050 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccccc3F)c2=O)=C(C(=O)OCC)[C@@H]1c1ccccc1F 2056375 DQZNEQWVJYJMBH-CWDSQJGSSA-N 512.534 2.218 0 40 KEAB COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)cc1 6973464 RTAQMOMMVSAVRJ-DIPNUNPCSA-N 529.615 2.199 0 40 KEAB O=C(NC[C@@H]1CCCO1)[C@H](c1ccncc1)N(Cc1cccs1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 17414101 WOWILPFOCUFWOT-CYFREDJKSA-N 554.650 2.353 0 40 KEAB O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCC1)Cc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 19941186 VEHRJVSUPPUCRC-PSXMRANNSA-N 517.579 2.329 0 40 KEAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 22866348 JOBQHYICAOBHLX-AREMUKBSSA-N 547.616 2.196 0 40 KEAB CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@H](O)[C@H]3O)c2n1 143240622 OEKWJQXRCDYSHL-OMCZFLOESA-N 522.578 2.014 0 40 KEAB in-vitro Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1S(=O)(=O)N1CCN(C)CC1 225540224 CKTKDJYJXCTTSV-IBGZPJMESA-N 538.667 2.110 0 40 KEAB Nc1ncnc2c1ncn2[C@H]1[C@H](CN(Cc2ccccc2)C(=O)CC2(CC(=O)O)CCCC2)C[C@H](O)[C@@H]1O 257293293 QOXDPSZASHVFQG-WJNSRDFLSA-N 522.606 2.145 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@@H]3O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)C[C@]12C 257375633 AGBCLJAHARWNLA-WTPCPCFUSA-N 785.025 2.147 0 40 KEAB endogenous,in-man COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 409003634 IYJMDDDJYGAMDH-UHFFFAOYSA-N 503.602 2.215 0 40 KEAB COc1nccnc1NS(=O)(=O)c1ccc(NC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 6110849 IHIAANBBPXSEGT-CVEARBPZSA-N 512.617 2.264 0 40 KEAB biogenic Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 8690426 PIYYKROMSGSQCG-UHFFFAOYSA-N 531.631 2.225 0 40 KEAB C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@@H](OC(=O)C[N+](C)(C)C)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 8817790 KFPMAYKBBLAZFX-ZDENVJPHSA-N 504.644 2.155 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@@H](C)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 14086226 ARLCFKAYWMYESY-MRXNPFEDSA-N 520.995 2.039 0 40 KEAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 20032239 XDQPWUYYCJHVRY-INIZCTEOSA-N 516.041 2.103 0 40 KEAB CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC(C(=O)O)CC1 38139989 ORBLZEJUESMAQI-GOTSBHOMSA-N 552.653 2.035 0 40 KEAB biogenic COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)cc1OC 100284803 RPURFPKBAHBNQE-JTSKRJEESA-N 555.613 2.230 0 40 KEAB COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21 100872962 NDGRMDVSTWUVCQ-OONGNWCQSA-N 566.727 2.404 0 40 KEAB CC(=O)N[C@H]1[C@@H](Sc2nnc(COc3ccc(C(C)(C)C)cc3)n2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 101575182 VUEIIBXTOTUGJY-YVSOFHLNSA-N 606.698 2.440 0 40 KEAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1S(=O)(=O)N1CCOCC1 225479576 JGILAPIDUGJXLM-UHFFFAOYSA-N 537.660 2.064 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 242548687 LTMHDMANZUZIPE-GQWLRVPZSA-N 780.949 2.218 0 40 KEAB CC(=O)O[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@]3(C)[C@H](O)[C@H](OC(C)=O)C(=C1C)C2(C)C 257609497 WPPPFZJNKLMYBW-OKYQXSLKSA-N 630.687 2.015 0 40 KEAB biogenic COC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC2(CC2)C(=O)N(C)[C@@H](Cc2ccccc2)COc2ccccc2C(=O)N1 643570316 YFPCVLOIFGMHEC-GNKBHMEESA-N 576.694 2.314 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](n2nc(N3C(=O)c4ccccc4C3=O)c3ccccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4293736 UWMUWOPRCFCWED-ZUVQJFRASA-N 521.482 2.161 0 40 KEAB COC(=O)c1sc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)nc1C 6406938 WGCNGCWOPXIJBK-UHFFFAOYSA-N 528.616 2.073 0 40 KEAB COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC 6905014 ZMLYRVZRPGUYLA-OAQYLSRUSA-N 543.602 2.001 0 40 KEAB CCN(C(=O)COC(=O)c1ccccc1OS(=O)(=O)c1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 12542551 NBWMQLQLJBCWKR-SFHVURJKSA-N 509.602 2.264 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(C(C)C)cc4)C3=O)CC2)cc1 14086308 PYWXDXKXALFWBD-AREMUKBSSA-N 528.631 2.119 0 40 KEAB CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC(=O)c1c[nH]c2ccccc12 14359228 HIXRAKIDEPGMNA-DEOSSOPVSA-N 527.599 2.369 0 40 KEAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](CC(N)=O)N[C@]23C(=O)Nc2ccc(Br)cc23)c1 64164939 SQWAPGHVFYOHHN-PVSQZPHNSA-N 503.353 2.106 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2cccc3ccccc23)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 101462272 QMXHRZRGBPKKEW-URYYLNOGSA-N 532.571 2.209 0 40 KEAB CN(Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1)S(C)(=O)=O 216382980 VZBMGVOQZLODCD-UHFFFAOYSA-N 504.590 2.291 0 40 KEAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCO)Cc1ccccc1 223009870 TWIMMEZAUFPMDL-SANMLTNESA-N 523.655 2.197 0 40 KEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 223090480 IFMHDIBRVACXOS-UHFFFAOYSA-N 513.638 2.212 0 40 KEAB CN(c1cccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1)S(=O)(=O)c1ccccc1 224489537 ZOEORCSSWOJGDJ-UHFFFAOYSA-N 559.666 2.341 0 40 KEAB CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC)c1ccc2c(c1)OCO2 225461434 QTMZBCCSFLANPX-HNNXBMFYSA-N 540.436 2.497 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccccc2OCc2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O 245267383 LLLNTXZITKTKCA-KVFWAJHPSA-N 557.552 2.079 0 40 KEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2 408706403 MQRTZPAYZIUIIH-UHFFFAOYSA-N 509.606 2.037 0 40 KEAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)O)cc4)c(=O)n32)cc1OCC 408932900 FPNNJSOMRJBGJU-DKOMQPSQSA-N 538.578 2.279 0 40 KEAB CO[C@H]1CCCN(C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(C)C)N(C)C(=O)c2ccccc2-c2ccccc2)[C@H]1CCC(=O)N[C@@H](CC(N)=O)C(=O)O 585293492 IFACKYGZINGATD-MYSYHGOYSA-N 723.824 2.031 0 40 KEAB COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2c1CCN(C(C)=O)C2 3007257 FQYRACCDNZWYIO-GASCZTMLSA-N 535.644 2.490 0 40 KEAB O=C(COC(=O)C[C@H]1Oc2ccccc2NC1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 12769189 SYXNKHNURYUAIR-LJQANCHMSA-N 507.952 2.396 0 40 KEAB COC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)n1 14016416 WHSFGFUFDUNXKC-HUUCEWRRSA-N 509.606 2.321 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)N2CN3CN(S(=O)(=O)c4ccc(NC(C)=O)cc4)CC(C(=O)c4ccccc4)(C3)C2)cc1 29749218 RTSAJALJOIBNGJ-UHFFFAOYSA-N 625.729 2.399 0 40 KEAB COCCNc1nnc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)s1 32738713 UKMXWQPKZCOULX-UHFFFAOYSA-N 508.047 2.002 0 40 KEAB COc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1S(=O)(=O)N1CCOCC1 97979006 CEPKSWOWFIJCBC-OPGUWZMBSA-N 531.587 2.258 0 40 KEAB Cn1c2c(c(=O)n(C)c1=O)[C@](NS(=O)(=O)c1ccc(NC(=O)Nc3cccc(Cl)c3)cc1)(C(F)(F)F)C(=O)N2 98043520 GDZKLITWKJHMOC-OAQYLSRUSA-N 586.936 2.070 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225485464 FZABXFCAMWQLBV-AWEZNQCLSA-N 526.409 2.107 0 40 KEAB CCS(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC)c1ccc2c(c1)OCO2 225488156 ZXFKTCISWDWGGO-HNNXBMFYSA-N 540.436 2.497 0 40 KEAB COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)cc2C)CC1=O 408662033 WWDWNNVVCVZSMM-AWEZNQCLSA-N 534.363 2.450 0 40 KEAB COc1ccccc1CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 8440399 UWYHCGYFIGFCPS-HSZRJFAPSA-N 529.640 2.075 0 40 KEAB Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2cccs2)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 9764133 DNPZSDFWCTUMAA-NRFANRHFSA-N 501.586 2.164 0 40 KEAB COc1cc2c(cc1OC)[C@@H](C1C(=O)CCCC1=O)N(C(=O)CSC(=S)N1CCOCC1)CC2 100708281 SUHPZNLKRBTZET-QHCPKHFHSA-N 506.646 2.418 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 223981090 NKPDKLOJPWZLOA-KRWDZBQOSA-N 507.609 2.032 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 224586114 VYLCOCMWUWLWSP-OAQYLSRUSA-N 508.616 2.391 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(C5Cc6ccccc6C5)CCN4C3=O)O2)cn1 253399868 KCHMCYJMCCKVDE-YQOCYVMFSA-N 585.705 2.188 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643569230 ORFGBPKLHLSMNW-ZEQRLZLVSA-N 540.636 2.445 0 40 KEAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 6196848 YGILVSXDJCFLJU-YKSBVNFPSA-N 533.589 2.233 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)N[C@H](C(=O)O)C3=CCC=CC3)CC2)C(C)C)cc1 8918206 GKANPDAWSXHDRY-GOTSBHOMSA-N 517.648 2.382 0 40 KEAB biogenic CCN(C(=O)CSc1nnc(-c2ccccc2C)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32944895 OGKQMPUJXBMWLG-UHFFFAOYSA-N 505.604 2.416 0 40 KEAB CCOC(=O)C1CCN([C@@H](c2cc3cc(OCC)ccc3[nH]c2=O)c2nnnn2C[C@@H]2CCCO2)CC1 57594906 LHBWOFKDPWJMRS-REWPJTCUSA-N 510.595 2.457 0 40 KEAB CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](CC(C)C)C(=O)O 70707355 MFXUGJJKSMPANS-ZRBLBEILSA-N 554.669 2.327 0 40 KEAB biogenic Cc1c(N(C)S(=O)(=O)c2cc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)ccc2Cl)c(=O)n(-c2ccccc2)n1C 103040623 RYQIGUUOPNIBAB-DEOSSOPVSA-N 567.089 2.270 0 40 KEAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 215967671 IZYSMGQZYWDWKN-INIZCTEOSA-N 532.600 2.447 0 40 KEAB CO[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2OC 256507556 MGJMLMORVVDLIU-IXGYVGOASA-N 572.651 2.390 0 40 KEAB biogenic O=C(C[C@H]1CN(C(=O)CCCn2cncn2)CC[C@@H]1Oc1cccc(Br)c1)N1CCOCC1 257254308 KCNRJEJQIGIYPK-RXVVDRJESA-N 520.428 2.366 0 40 KEAB COc1cc(CN2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCN1CCOCC1 585272051 IRLDWDDYNBWOMY-GDLZYMKVSA-N 510.679 2.165 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3cccn3)c2)C[C@](O)(COc2ccccc2)C1 585281048 VUFVEIOTWUDNDS-GDLZYMKVSA-N 538.645 2.462 0 40 KEAB O=C1NC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1cc(-c3ccccc3)no1)CC2 1548890438 PDAMVKGYCIYNML-QPPBQGQZSA-N 552.653 2.399 0 40 KEAB COc1ccc(-c2cc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c3c(C)nn(-c4ccccc4)c3n2)cc1 3236022 JJHSUKZXPIVGGA-UHFFFAOYSA-N 554.563 2.424 0 40 KEAB O=C(OC[C@H]1O[C@@H](n2cc[n+]([O-])nc2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 5372901 QKHVECNFTGXDFP-ZKGSSEMHSA-N 557.515 2.082 0 40 KEAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 12825691 NORITFZKLZPOQL-UHFFFAOYSA-N 500.982 2.324 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@@H](C)C(=O)O)C(=O)[C@H]23)ccc1O 100872398 PZCVHTJSHJYMSA-KMJSDOQHSA-N 502.570 2.097 0 40 KEAB CCOCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21 100873608 DHULKJFODRTHGY-BZZOAKBMSA-N 552.700 2.302 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 118913346 WBWWGRHZICKQGZ-JZXFQWORSA-N 515.713 2.368 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 224216271 HFIUOOIPANNOFY-UHFFFAOYSA-N 593.655 2.238 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 225479759 GWFXECDLCKXRLU-OAHLLOKOSA-N 512.426 2.387 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 409166386 DORLHYURLODPOO-CWPZDHDOSA-N 681.764 2.460 0 40 KEAB O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)c1ccc3ccccc3c1)[C@H]1CS(=O)(=O)C[C@H]1N2S(=O)(=O)c1ccc2ccccc2c1 575424302 UPTHABTXESAVGW-HCOFYKJDSA-N 646.790 2.019 0 40 KEAB C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2[C@]1(C)O 1903857769 LARPFJIXBULVPK-SGMKEFRGSA-N 650.850 2.435 0 40 KEAB biogenic COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(=O)O)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1OC 2131479 FLMSSJXAFALJRO-DVVWYOFYSA-N 541.988 2.494 0 40 KEAB biogenic CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H](C(=O)N[C@@H](CC3CCCCC3)C(N)=O)C2)cc1 8627207 LVWDNWFWAROLMI-UIOOFZCWSA-N 569.728 2.208 0 40 KEAB biogenic,in-vitro CCCN(C(=O)COC(=O)COc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 62572050 XSRKMBXLZFNQIW-UHFFFAOYSA-N 500.939 2.186 0 40 KEAB CCn1cc(C(=O)N2CCN(C(C)C)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 67337315 LWESEUPIEXVYRF-UHFFFAOYSA-N 509.076 2.234 0 40 KEAB CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1 95626582 UZSVAKVMBBLRTM-HSZRJFAPSA-N 516.598 2.452 0 40 KEAB CCOC(=O)[C@H]1CCCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)C1 102920315 WZVOYEOYSQULTA-SFHVURJKSA-N 538.070 2.483 0 40 KEAB CC(C)[C@H]1NC(=O)C2=CN(Cc3ccccc3)C=C[C@@H]2NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC(=O)C2=CN(Cc3ccccc3)C=C[C@H]2NC(=O)[C@@H](C)NC1=O 150422883 GGXKAYMHZWWWNE-OXFYRGTLSA-N 764.928 2.087 0 40 KEAB C[C@H](C(=O)NCc1ccccn1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222702691 LQNBNYWHTKWNCG-JOCHJYFZSA-N 552.653 2.215 0 40 KEAB Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCn3ccnc3)CCO2)ccc1Cl 585286082 MZUBSUNVTMOOPV-VWLOTQADSA-N 504.031 2.076 0 40 KEAB Cn1ccnc1CN1CCC2(CCOc3cc(-c4ccccc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548890544 SERLUXVCIOPHQI-RPWUZVMVSA-N 565.696 2.145 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@H](O)C[C@@H](O[C@@H]3[C@H](O)C[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)[C@H](O)C[C@@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 2002125253 LKRDZKPBAOKJBT-PXLAEZBCSA-N 780.949 2.218 0 40 KEAB CCCC[C@@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@H](C)[C@@H]1OC(=O)CCC 14853748 GYANSQKXOLFAFP-HGIQIYEZSA-N 506.552 2.454 0 40 KEAB biogenic CCOC(=O)/C=c1\s/c(=C\c2ccc(OC)cc2OC)c(=O)n1CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 16044285 WZUFIDFJMAVUPY-IGAQJUPBSA-N 502.633 2.040 0 40 KEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1OC 20033297 YAYMTFVMVDODED-UHFFFAOYSA-N 509.650 2.440 0 40 KEAB Cc1ccc(CSCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 32971979 ZKNZDKATKGMQES-UHFFFAOYSA-N 503.669 2.464 0 40 KEAB COC(=O)[C@@H](CCSC)NC(=O)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 46086337 DKHYIOGLUCEIDY-PKTZIBPZSA-N 529.659 2.344 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)cc3oc(=O)c(C)c(C)c23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70691843 RZTGBYNOHDNOPN-DNMDETFRSA-N 534.514 2.180 0 40 KEAB biogenic CC(C)C[C@H]1NC(=O)[C@@H]([C@@H](C)c2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O 150345607 JYHXDMQYXCMDPF-CFMNCRPNSA-N 786.975 2.075 0 40 KEAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)cc1Cl 222534733 RSFOFSZGOSOEIS-QGZVFWFLSA-N 530.068 2.152 0 40 KEAB COc1ccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1S(=O)(=O)N1CCOCC1 224906265 QKIPCIPAVPYUCD-UHFFFAOYSA-N 515.635 2.197 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)C)cc1 260713690 DUXRXRRPDLZIFQ-GOSISDBHSA-N 508.616 2.389 0 40 KEAB O=S1(=O)CC[C@@H](N(CCNS(=O)(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)C1 575422166 MXOHPIZHLRROCW-MRXNPFEDSA-N 616.375 2.368 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)NCCCCCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 6073831 AOTPYNQTXITLLK-UHFFFAOYSA-N 510.638 2.421 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc2c(c1)OCCO2 20108580 WQFRPIWAOICCPW-UHFFFAOYSA-N 518.573 2.058 0 40 KEAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c1 32738776 QJEBEYZZOGXALD-UXBLZVDNSA-N 502.589 2.410 0 40 KEAB COc1ccc(CNC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)cc1 72332058 WHPXOJKKRGDBPK-UHFFFAOYSA-N 504.543 2.293 0 40 KEAB C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2[C@]1(C)O 253532216 LARPFJIXBULVPK-BZMLEFHHSA-N 650.850 2.435 0 40 KEAB biogenic,in-vitro Cc1cc(C)c(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCN4CCOCC4)CC3=O)cc2)c(C)c1 408581389 SSPLINWPNWTCME-QFIPXVFZSA-N 508.619 2.431 0 40 KEAB COC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc(C(=O)OC)c1 408584232 NFPNDSOCUUOCEE-OAHLLOKOSA-N 520.560 2.316 0 40 KEAB Cc1ccc(C)c(S(=O)(=O)NCCN([C@]2(C)CCS(=O)(=O)C2)S(=O)(=O)c2cc(C)ccc2C)c1 575422149 MNRAHHYESGADAX-HSZRJFAPSA-N 528.718 2.467 0 40 KEAB CC(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@]2(CCC(=O)OC2)[C@]2(C[C@]3(C)[C@H](C)[C@@H]4C(=O)O[C@]5(C)O[C@@]3(O[C@@H]45)O2)[C@@H]1C 1772591692 LISOTTMZWIFJFJ-ROECIYIBSA-N 522.591 2.442 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N[C@H](C(=O)O)C(C)C)CC2)cc1 12863572 QCHMBXQYVAIKOY-ZEQRLZLVSA-N 529.659 2.349 0 40 KEAB biogenic CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCCN1CCOCC1 13593536 IPCOLMRXXOCPIS-BKSPAHHJSA-N 502.681 2.404 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3ccco3)n2)cc1 38141498 DWGZMBAOCJXCPS-SANMLTNESA-N 551.648 2.293 0 40 KEAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 59838899 CUKXYITZFFAILF-LJQANCHMSA-N 539.651 2.336 0 40 KEAB CCCSc1nc(N[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@H](O)[C@@H]3O)c2n1 150295519 OEKWJQXRCDYSHL-BUTISPQESA-N 522.578 2.014 0 40 KEAB in-vitro CS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 223020509 XAYMPYNIEMYSEP-QHCPKHFHSA-N 515.613 2.373 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 223835384 ADTZJJUQNOJJRK-ZDUSSCGKSA-N 505.565 2.453 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCN(C)C)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1 585281129 WNPKDYHZGKEZEF-AREMUKBSSA-N 507.578 2.006 0 40 KEAB C[C@@H]1O[C@H](O[C@H]2[C@H](C)O[C@H](O[C@H]3[C@H](C)O[C@H](O[C@@H]4CC[C@]5(C)[C@@H](CC[C@H]6[C@H]5C[C@H](O)[C@@]5(C)[C@H](C7=CC(=O)OC7)CC[C@@]65O)C4)C[C@H]3O)C[C@H]2O)C[C@@H](O)[C@H]1O 1076382985 LTMHDMANZUZIPE-AERTWWJXSA-N 780.949 2.218 0 40 KEAB COc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 11758142 NZILSPPQGBECOS-UHFFFAOYSA-N 521.555 2.205 0 40 KEAB CCCOc1ccc(CN(C(=O)c2nc(S(C)(=O)=O)ncc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 16752846 DNMHBALOYBDMBI-OAHLLOKOSA-N 502.014 2.152 0 40 KEAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 17357139 RHGYOKGVHLMMCS-UHFFFAOYSA-N 563.658 2.122 0 40 KEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 20031156 MCXJZLNFUBVNAM-UHFFFAOYSA-N 509.650 2.115 0 40 KEAB COc1cc2c(cc1OC)CN(C(=O)CN1CCN(S(=O)(=O)c3ccccc3Br)CC1)CC2 38139926 OEEWWOVQGWHDJD-UHFFFAOYSA-N 538.464 2.358 0 40 KEAB COc1ccc(NC(=O)CCNS(=O)(=O)c2cc(Br)ccc2Br)cc1S(N)(=O)=O 38141723 MWHVXVYLYDIRMR-UHFFFAOYSA-N 571.269 2.175 0 40 KEAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CCN(C(C)=O)C2 97963509 XLEOFZQFUGMRCT-UHFFFAOYSA-N 567.686 2.365 0 40 KEAB COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccc(Cl)cc2)cc(OC)c1OC 100164921 XQLSHABSFQRLSB-QFIPXVFZSA-N 554.865 2.345 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 150416437 YNJBFRQVLBEXKL-FYVCHBQZSA-N 699.790 2.457 0 40 KEAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2O1 222711676 CMVCJLOXNPFAAG-SANMLTNESA-N 551.621 2.197 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](C)n4ncc(Cl)c4C)[C@H]3SC2)s1 2788723 XYRPGPNXVVZDQD-JIYNIHLBSA-N 515.042 2.097 0 40 KEAB CC[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(OC)cc1)C(=O)C[S@@](=O)CC(=O)Nc1ccc(OC)cc1 6631846 NBTPOBRBJACTDU-XLAVRCFGSA-N 559.685 2.494 0 40 KEAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 38152217 GASQZRYWRPKEIL-OAQYLSRUSA-N 529.681 2.067 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1Cl 59838612 IQDNLSNARCPRFQ-IBGZPJMESA-N 572.105 2.087 0 40 KEAB COc1cc(CC2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1O 70672264 NQSKLHRUOSBVGR-DLBZAZTESA-N 573.444 2.024 0 40 KEAB biogenic COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2oc3ccccc3c21 72332019 MZPADPISFSENDI-UHFFFAOYSA-N 518.526 2.394 0 40 KEAB CC[C@H](C)[C@H](NC(=O)CN1CCOCCOCCN(CC(=O)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)CC)CCOCCOCC1)C(=O)OC(C)(C)C 150471671 GIFHUXADCDHOSA-KOUWNTBJSA-N 716.958 2.416 0 40 KEAB COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 223115209 PSFIMTPXDJMIPC-JOCHJYFZSA-N 510.056 2.324 0 40 KEAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 224290049 PEXZKZKEMFDGFL-UHFFFAOYSA-N 546.067 2.094 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031620 HPFTXMZMZURGRB-QDNAUZDWSA-N 552.605 2.454 0 40 KEAB COc1c(OC)c([C@@]2(O)C(=O)N(C)c3ccccc32)c(OC)c(OC)c1[C@@]1(O)C(=O)N(C)c2ccccc21 1612085 BGWFETQDZAHJTD-VSGBNLITSA-N 520.538 2.146 0 40 KEAB CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O 4091728 KRYSUQDOIQABRV-WUFINQPMSA-N 631.730 2.147 0 40 KEAB COc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2cc1OC 6136471 OCMOJOBMVQHGGS-HFZDXXHNSA-N 547.616 2.328 0 40 KEAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 38152222 NTVYLTPXGGREIC-MRXNPFEDSA-N 531.587 2.387 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 59851900 UKTINNNRKAWANK-UHFFFAOYSA-N 529.640 2.384 0 40 KEAB CCCCn1c(CCC(=O)OCC(=O)Nc2cc(C)on2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 103061070 QNUNGPXFJYXVOS-UHFFFAOYSA-N 533.607 2.268 0 40 KEAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)ccc21 225698343 SXJOEEFUZGIXCA-UHFFFAOYSA-N 510.663 2.128 0 40 KEAB CCc1nc2ccccc2n1CC(=O)N1CCC2(CC1)COC[C@@](C)(O)[C@H](n1cnc3c(N)ncnc31)C2 257212033 CBPZAMWAIRNCLY-FQRUVTKNSA-N 518.622 2.342 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408945230 NGUGUHFYSNUNCT-DUBROFONSA-N 530.002 2.500 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCc3nccn3C)cc2)C[C@@](O)(COc2ccc(F)cc2)C1 2037928483 WBWSTHVKHAJLBG-MHZLTWQESA-N 512.582 2.239 0 40 KEAB CCOC(=O)Cn1nnnc1CN(Cc1ccccc1OC)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1373882 GAKKHEVPZGIMSC-UHFFFAOYSA-N 520.546 2.060 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC 2163530 AVEPJDIHEZHYJH-FEYWKWKCSA-N 532.622 2.443 0 40 KEAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)CNC(=O)CNC(=O)Cc3ccccc3)cc2)cc1 10040017 GUCWESGQZZYEEB-UHFFFAOYSA-N 502.523 2.415 0 40 KEAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 16428752 MCBMLBARNABBMX-UHFFFAOYSA-N 501.605 2.359 0 40 KEAB CC(C)CNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc3c(c2)OCO3)c1=O 45899155 OCQXCFYOLYHNIZ-UHFFFAOYSA-N 508.575 2.151 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(N)n(Cc2ccccc2)c1=O 103119096 YTNJFLAMFLBUPI-UHFFFAOYSA-N 555.543 2.084 0 40 KEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1=O 195528613 HMHBLMRKQGJXAA-XOWTYJCDSA-N 532.594 2.419 0 40 KEAB CC(=O)Nc1cc(Cl)ccc1S[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4353123 CNMWZCBZVJVEMC-KMHBYZIFSA-N 531.967 2.474 0 40 KEAB COCCNC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCCc3ccccc3)C(=O)N12 20642894 GTSNOQKBQYLRIF-OAQYLSRUSA-N 507.616 2.280 0 40 KEAB COC(=O)C[C@@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4 31298178 HAVJATCHLFRDHY-JZTSUELASA-N 531.602 2.191 0 40 KEAB CCCNC(=O)Cn1c(=O)n(Cc2ccc(C(=O)N3CCCCC3)cc2)c(=O)c2cc(OC)c(OC)cc21 64449209 JBURINYCKYFNCI-UHFFFAOYSA-N 522.602 2.381 0 40 KEAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3cccc(I)c3)c(=O)n12 100574228 DASNBTKJDYFXCB-PFXFWSGPSA-N 532.359 2.464 0 40 KEAB biogenic CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O 150470869 DWIHCEZUWCRUES-DLBZAZTESA-N 622.197 2.461 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 224288261 RWGHLCJRGDDNQN-UHFFFAOYSA-N 516.041 2.086 0 40 KEAB CN1CCOc2ccccc2CCCCCC2(CCN(C(=O)[C@@H]3COCCN(S(=O)(=O)N(C)C)C3)CC2)C1=O 643562412 RZOLDVOLKWKCIH-DEOSSOPVSA-N 564.749 2.004 0 40 KEAB Cc1c([C@H](C)[C@@H]2NC[C@H](C)C[C@H]2O)ccc2c1C[C@H]1[C@H]2CC=C2C[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]21C 1857787588 WXQHVBNTINGJJR-WEUMPBDYSA-N 571.755 2.419 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 2630668 VAKDVAAZZLCNMS-UHFFFAOYSA-N 526.593 2.356 0 40 KEAB COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O 5260472 DMLKUPXKUQREOC-KMYZAFCHSA-N 575.412 2.186 0 40 KEAB CC[C@H](C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 6820974 HXZWBLHGOXFQTD-WOJBJXKFSA-N 500.600 2.202 0 40 KEAB COc1ccc(CCNC(=O)C(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1OC 22228378 YETHLZKQTMZBTF-UHFFFAOYSA-N 517.648 2.332 0 40 KEAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 59838402 BWNKPVOQDSLSFI-SANMLTNESA-N 587.720 2.231 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 223981289 MVSAIUCSDBECNW-QGZVFWFLSA-N 507.609 2.032 0 40 KEAB COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1OC 224408208 ORGCDMGDOYXZAJ-IBGZPJMESA-N 569.702 2.228 0 40 KEAB CCCCN(C(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)[C@H]1CCS(=O)(=O)C1 514387148 JJEOYDIMUWTLRD-INIZCTEOSA-N 526.508 2.116 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O 643567143 SMDZFXVUJMABQY-AFESJLNVSA-N 569.747 2.472 0 40 KEAB CC1=NNC(=O)[C@H]1CCC(=O)N1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3 2037879507 AHKIYCWSQJYCPJ-QEGGNFSNSA-N 563.699 2.096 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccc(O)cc2)CC1)OCO3 6444913 XMHWMJUQFPAYDC-NBGIEHNGSA-N 531.573 2.040 0 40 KEAB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 12538627 SORHNMCYNNBRJK-UHFFFAOYSA-N 518.979 2.476 0 40 KEAB O=C1NC(=O)N(c2ccccc2)C(=O)[C@H]1C(c1ccccc1O)[C@@H]1C(=O)NC(=O)N(c2ccccc2)C1=O 16488581 ZGGFXENFVZEDGR-SEJPIABJSA-N 512.478 2.274 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1C 20032201 FEMUCTMZXIWWLY-HXUWFJFHSA-N 523.677 2.361 0 40 KEAB C[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C)c1ccccc1 35877420 OIPATMUGKZSSKM-ZOWXDCFTSA-N 522.627 2.207 0 40 KEAB COCC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I 78040880 UQPKNHUDABGWHM-UHFFFAOYSA-N 630.898 2.482 0 40 KEAB Cn1cc(NC(=O)c2cc(NC(=O)CCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N 95548680 NKYAWOPDDUWWID-UHFFFAOYSA-N 786.899 2.185 0 40 KEAB O=C([C@@H]1[C@@H]2C(=O)N([C@H](c3ccccc3)c3nnnn3-c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3)N1CCOCC1 101360372 JNPYAGCBKTZUTP-UETMDFGDSA-N 532.988 2.046 0 40 KEAB CC(=O)N[C@@H]1[C@@H](Sc2nnc(COc3ccc(C(C)(C)C)cc3)n2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 101575186 VUEIIBXTOTUGJY-OCJQLBAASA-N 606.698 2.440 0 40 KEAB CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1OC 205688594 KDAYLNPFNFMIDP-NTUHNPAUSA-N 535.312 2.451 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 409164884 PDJULZCWPXQEBS-DVUZPASPSA-N 667.737 2.070 0 40 KEAB COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N3CCC[C@@H]3C(=O)N[C@@H](C(C)C)COc3ccccc3C(=O)N2)cc1 643571114 XTBZMVHIGLOAQU-JIMJEQGWSA-N 580.682 2.293 0 40 KEAB Cn1c(=O)n(C)c2cc(NC(=O)CN3CC[C@H]4NC(=O)[C@H](Cc5ccccc5)NC(=O)C5(CC=CC[C@H]4C3)CCOCC5)ccc21 2037879326 NTJYLFSOJMJGKN-ITHJLQSDSA-N 628.774 2.497 0 40 KEAB CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@H]1C(=O)O 38139999 QPHKNVHDBDNKLQ-VABKMULXSA-N 520.586 2.080 0 40 KEAB biogenic COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 59838896 CUKXYITZFFAILF-IBGZPJMESA-N 539.651 2.336 0 40 KEAB O=C(Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2oc3ccccc3c21)Nc1ccc2c(c1)OCO2 72332061 CZCOHSWLOHEMMI-UHFFFAOYSA-N 504.499 2.336 0 40 KEAB O=C(CCCN1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 97981513 GBPNZTAXIVFTHB-UHFFFAOYSA-N 573.112 2.099 0 40 KEAB COC1(OC)[C@H](O)[C@@H](COP(N)O)O[C@]1(n1cnc2c(=O)nc(N)[nH]c21)C(c1ccccc1)(c1ccccc1)c1ccccc1 100796057 PBLQMVDFVZMIOK-DXZXKUCJSA-N 632.614 2.333 0 40 KEAB CCn1c(CCCC(=O)N2CCC3(CC2)C[C@@](C)(O)[C@H](n2ccc(N)nc2=O)CO3)nc2ccccc21 257207759 BJCLNIVELFPGOW-QFQXNSOFSA-N 508.623 2.292 0 40 KEAB COC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1I 409123361 FWKSCVKPVWLNAC-RIYZIHGNSA-N 672.235 2.343 0 40 KEAB Nc1cc(C(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)ccn1 643578523 XLVPHRRSARGTBK-BJKOFHAPSA-N 510.635 2.227 0 40 KEAB COc1ccccc1N1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C[C@@H]2CCCO2)CC1 6177007 BVMNYEXTYXUNSH-SIBVEZHUSA-N 545.600 2.343 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1OC 6546657 HRWJICSGFRHXGK-OAQYLSRUSA-N 543.577 2.348 0 40 KEAB CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 15940808 LBPHNJIRKHYFBA-ROUUACIJSA-N 535.667 2.020 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2)CC1)OCO3 20081015 IPPYSNUZSJZWKP-CPJSRVTESA-N 515.574 2.334 0 40 KEAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OS(=O)(=O)c1ccccc1 106709532 QUSLYWBFDFBCBP-ZHZULCJRSA-N 518.569 2.358 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2c(C)n(C)n(-c3ccccc3)c2=O)c(N)n(Cc2ccccc2)c1=O 150497295 WWFNASMPMPKBLE-UHFFFAOYSA-N 693.742 2.285 0 40 KEAB CCN(CC(=O)Nc1cc(S(=O)(=O)NC)ccc1C)S(=O)(=O)c1ccc(Br)cc1 226054620 XNYJAPUDNLOAPO-UHFFFAOYSA-N 504.428 2.315 0 40 KEAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 226054669 AOAHJTWEFAYWFE-UHFFFAOYSA-N 537.704 2.452 0 40 KEAB Cc1cnn(CC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCOCC3)C2)c1 257283316 OXTNIKJOVYRRBT-RXVVDRJESA-N 505.413 2.499 0 40 KEAB CN(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccn1)S(C)(=O)=O 260714323 CCIOJTPPFGCCDL-XMMPIXPASA-N 512.607 2.368 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCCNC1=O 643565404 DWOBBJXAQVZKJG-GOTSBHOMSA-N 559.063 2.453 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643565740 IVABAIGWCLDWNC-GOTSBHOMSA-N 614.625 2.175 0 40 KEAB COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nc3ccccc3o2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1 643913116 GNGPOPNYBRPQEA-JFXIUAIZSA-N 581.732 2.185 0 40 KEAB C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O[C@H](C)[C@@H](C(=O)O)[C@@H]5N=C(C(=O)O)[C@H](S[C@@H]6CN[C@H](C(=O)Nc7cccc(C(=O)O)c7)C6)[C@@H]5C)c4)C3)[C@H](C)[C@H]12 1569992301 CLTRZTBUDCDKTQ-BIAUDALJSA-N 951.046 2.202 0 40 KEAB Cn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 922300 GYNJKMCMNZEDEV-UHFFFAOYSA-N 516.601 2.249 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOCCN(C(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CCOCC2)C(C)C)cc1 4018369 QDXFDPNGVBPRHC-KYJUHHDHSA-N 680.890 2.313 0 40 KEAB O=C(N[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)S(=O)(=O)c1ccc(Cl)cc1)c1ccco1 9764117 MEGUKHBKRPVUNY-HXUWFJFHSA-N 505.936 2.040 0 40 KEAB CC(C)CCNc1nc(C(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 12692393 CHQYTCNVWLHHPO-UHFFFAOYSA-N 510.638 2.095 0 40 KEAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 20452451 ASXXWEAOGQXMML-UHFFFAOYSA-N 505.662 2.376 0 40 KEAB Nc1c(N(CCCO)C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c(=O)[nH]c(=O)n1Cc1ccccc1 95570042 HRCGGGSXXJTGEC-UHFFFAOYSA-N 555.591 2.112 0 40 KEAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 103102061 DRLVQSVJGFZCBE-UHFFFAOYSA-N 585.660 2.254 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 140301349 AIKPYHLLJAQVRR-FQEVSTJZSA-N 530.024 2.299 0 40 KEAB CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O 260714020 AAJZDALOYBGUOV-XZOQPEGZSA-N 522.067 2.467 0 40 KEAB Cn1ccc(NC(=O)CN2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)n1 1615124363 DSHPCYRKMGEUKH-DSNGMDLFSA-N 548.688 2.040 0 40 KEAB CC(C)C[C@@H](N)COc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O 2037879912 XCTPRGPXVDPPQR-ZLTNCQPASA-N 520.026 2.384 0 40 KEAB CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccc5c(c4)OCO5)CC3)cc21 720467 RSFZUPOZBXKQNZ-UHFFFAOYSA-N 526.546 2.424 0 40 KEAB O=C(Cn1c(=O)n(CCC(=O)N2CCc3ccccc3C2)c(=O)c2ccccc21)N1CCN(c2ccccc2)CC1 4790097 NUUSRIWTROWPMO-UHFFFAOYSA-N 551.647 2.487 0 40 KEAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C[S@@](=O)C2 6208156 NWHAUWJAPNGMSG-XIFFEERXSA-N 500.602 2.216 0 40 KEAB O=C(NC[C@H]1CCCO1)[C@H](c1ccncc1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 8690341 JIOIQYCASBDDMD-GJZUVCINSA-N 566.611 2.431 0 40 KEAB CCCCn1c(N)c(N(CC)C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c(=O)[nH]c1=O 12941166 QPSOAKGZOJHYMY-UHFFFAOYSA-N 521.640 2.159 0 40 KEAB Cc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 20638919 VKOYZWVECXNOBN-JOCHJYFZSA-N 517.552 2.492 0 40 KEAB COCCN(C(=O)COC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38139865 LNIQVSSEMYAZHI-FMIVXFBMSA-N 546.502 2.422 0 40 KEAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1 59851850 SWWWLZXZSUEFLF-UHFFFAOYSA-N 533.628 2.442 0 40 KEAB COc1cc(C(=O)NC[C@@H]2OCCc3ccccc32)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 79183240 MDJQNVLLOYHRIM-BYKDOIGYSA-N 643.642 2.201 0 40 KEAB biogenic CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222393226 XKMCGTNGPFXKDY-LJQANCHMSA-N 503.621 2.476 0 40 KEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224344971 VMPUPWUFVAMNEE-HSZRJFAPSA-N 539.676 2.220 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2cccc3ccccc23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 257346735 QMXHRZRGBPKKEW-QOXFPCGXSA-N 532.571 2.209 0 40 KEAB CC(=O)N1CCCN(C)CCN(C(=O)CCc2cnc([C@@H]3CCCN(S(C)(=O)=O)C3)cn2)Cc2ccccc21 643554639 WWRGGVJAOIRDPY-HSZRJFAPSA-N 556.733 2.265 0 40 KEAB O=C1C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1 643566776 JWDLBGOLTBYKPB-GHPAMLPFSA-N 653.780 2.435 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 223065249 JEYLNPJNFPUKSO-UHFFFAOYSA-N 529.612 2.040 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 225019960 DMCYPYLZWGGFTG-SFHVURJKSA-N 521.636 2.422 0 40 KEAB COc1cccc(-c2noc(CNC(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)n2)c1 225308097 RSCUWKNJMMUOSJ-UHFFFAOYSA-N 502.549 2.379 0 40 KEAB Cc1ccc(C)c(S(=O)(=O)CCC(=O)N2CCC3(CCCCOC[C@H](C)NC(=O)[C@H](C)NC3=O)CC2)c1 643564068 CFKUXVUYJJGPQW-VXKWHMMOSA-N 535.707 2.286 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOC[C@@H]2CCCO2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643584846 LDNZBPUMHIOOGL-MYKRZTLLSA-N 608.736 2.236 0 40 KEAB C[C@H](OC(=O)OC1CCCCC1)OC(=O)C1=C(CSc2nnnn2CCN(C)C)CS[C@@H]2C(NC(=O)Cc3csc(N)n3)=C([O])N12 1560411610 LSTLTQRRIQZKQL-NPMXOYFQSA-N 694.842 2.342 0 40 KEAB CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccc(Br)cc4)CC3)nc21 2316700 ZPEHJCWXZLGXEI-UHFFFAOYSA-N 545.419 2.109 0 40 KEAB COc1ccc(C(=O)OCC(=O)NC(=O)[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N(C)Cc1ccccc1 2626526 HXDQIPNBLMRGNE-QHCPKHFHSA-N 554.577 2.156 0 40 KEAB CCOC(=O)c1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc(C(=O)OCC)c1 13137963 RZZYDKBIBBFDFC-AREMUKBSSA-N 525.514 2.217 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 20031567 IYFIZEZQGLTTGJ-DEOSSOPVSA-N 515.657 2.451 0 40 KEAB CCCN(S(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 102974772 MEVFXDGNFIFAHF-UHFFFAOYSA-N 532.662 2.278 0 40 KEAB CCOc1ccc(N(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)S(C)(=O)=O)cc1 216434155 LTPYSLQCPMFWRR-UHFFFAOYSA-N 511.622 2.283 0 40 KEAB C[C@@H](C(=O)NCCCO)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222874511 KREAJAVGHSUFPC-FQEVSTJZSA-N 519.639 2.459 0 40 KEAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 223403143 FMEOVVIZSRFZPD-JOCHJYFZSA-N 504.653 2.478 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 224272532 OHUCCRMQGHVXMF-QGZVFWFLSA-N 530.068 2.186 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224384388 IXFHJZKRPXYERV-UHFFFAOYSA-N 551.687 2.463 0 40 KEAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O 245380169 SKCBOHGILGKGJY-MLNNCEHLSA-N 553.745 2.464 0 40 KEAB CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCNC1=O 643568204 MZMJZLPSPZUJJR-LITSAYRRSA-N 619.763 2.393 0 40 KEAB CO[C@H]1CN(C(C)=O)CCCN(Cc2ccc(OCCCn3ccnc3C)cc2)CCCCOC[C@H](O)[C@@H]1O 643584684 HPUIYEUEYQEOAI-AWCRTANDSA-N 546.709 2.248 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 6547000 QJYCGISZHNCDKF-IBGZPJMESA-N 517.514 2.170 0 40 KEAB COc1cc(NC(=O)Cn2c(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c3sccc32)cc(OC)c1 8593257 RAZFGJBDRZWNBT-UHFFFAOYSA-N 582.635 2.257 0 40 KEAB CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 22246626 RKMSCYWEIMSHSZ-OAQYLSRUSA-N 504.605 2.395 0 40 KEAB CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@@H]2ON=C([C@@]3(C)NC(=O)N(c4ccccc4)N3)[C@H]2C1=O 100333420 IACLZCGNMWEOQR-MNVSYLFESA-N 523.859 2.295 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4c(F)c(F)cc(F)c4F)o3)[C@@H]2SC1 102101494 MRBOWIFEJAPYPE-KKSFZXQISA-N 544.435 2.330 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 224036820 CFRIMIPHSSRIBH-GOSISDBHSA-N 519.620 2.176 0 40 KEAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224095565 IXOGCJDLTXWPDM-LJQANCHMSA-N 503.621 2.413 0 40 KEAB COc1ccc(OC)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccccc2)c1 224203312 OUZCWWLKKKNUKA-UHFFFAOYSA-N 577.681 2.345 0 40 KEAB COCCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](C(C)C)COc3ccccc3C(=O)NCCCOc3ccccc3C(=O)N2)CC1 643570226 SGEZXTUFUIYANK-WUFINQPMSA-N 637.778 2.088 0 40 KEAB Nc1c(C(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nnn1-c1ccccc1 1889303150 AYSBNWZHLWJIDY-UHFFFAOYSA-N 517.521 2.299 0 40 KEAB CCCN(C(=O)CSCC(=O)Nc1ccc(OC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13003305 UQQVFXRKZUWNHY-UHFFFAOYSA-N 511.604 2.291 0 40 KEAB O=C(CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1 13496969 KHCZQGOVWBKYAG-FQEVSTJZSA-N 507.634 2.280 0 40 KEAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NC(=O)[C@@H]1COc2ccccc2O1 14357602 SBYVARALHQERSX-LPHOPBHVSA-N 506.964 2.218 0 40 KEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 20030987 RJUXJDGQKMCDGV-UHFFFAOYSA-N 509.650 2.197 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(N)(=O)=O)cc3)C2)cc1Cl 20032232 ACMWIEZWCMNWOC-INIZCTEOSA-N 516.041 2.103 0 40 KEAB Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O 29749390 YMBXFMDKSXTSAE-UHFFFAOYSA-N 531.400 2.340 0 40 KEAB COc1ccccc1NC(=O)COC(=O)CN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3OC)cc2C1=O 97998489 DYWRSYAMYKXBRV-UHFFFAOYSA-N 575.530 2.277 0 40 KEAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\[C@H]4C(=O)NC(=S)N(c5ccc(Cl)cc5)C4=O)c(=O)n32)cc1OCC 408938052 ROVPMUDBVQLXFA-QQQSUWHHSA-N 641.127 2.485 0 40 KEAB COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(=O)O)N[C@@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1OC 2130605 PXJBKSHAMFYIAA-DVVWYOFYSA-N 541.988 2.494 0 40 KEAB biogenic COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCN4CCN(c5ccccc5F)CC4)ccc3c2=O)cc1 4766621 VGFZGXYONMTGFO-UHFFFAOYSA-N 531.588 2.438 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)cc1 6973687 LESWJPKDTYJUIZ-RXVVDRJESA-N 525.587 2.222 0 40 KEAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(CCCN2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1 19941110 ARQAOWCKSUSEFN-QFIPXVFZSA-N 528.679 2.097 0 40 KEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)n1 44949552 SLJSGWWVWXUHNZ-UHFFFAOYSA-N 507.569 2.438 0 40 KEAB COC(=O)Cn1/c(=N/C(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2cc(S(N)(=O)=O)ccc21 100876627 IAHFFMUYXPIIGM-LCUIJRPUSA-N 509.565 2.495 0 40 KEAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 224379863 JPHLZZCOWWBLBW-UHFFFAOYSA-N 509.650 2.456 0 40 KEAB Cc1cc(C)c2[nH]c(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c(N)nc(N)nc53)CO4)nc2c1 257328607 XGKGECIFASSDCX-WXTAPIANSA-N 533.637 2.190 0 40 KEAB CC(=O)N1CCN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@](O)(COc2ccc(F)cc2)C1 585280077 JLPQHYAMFSBDGF-HHHXNRCGSA-N 501.599 2.011 0 40 KEAB O=C1N[C@H]2CCN(C(=O)c3cc[nH]n3)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1 2037819026 IAARZCPBQGWFCZ-AOHZBQACSA-N 505.619 2.231 0 40 KEAB Cc1ccc(CNC(=O)Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1 9598809 SMBWNSUNEZPSAZ-UHFFFAOYSA-N 520.567 2.259 0 40 KEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1ccc(O)c(OCC)c1 20674878 ANIKGQGDZAUMTM-BJKOFHAPSA-N 524.574 2.044 0 40 KEAB COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)cc2O)cc1 70672346 OSPUWYWJNWIARF-MLZSXWJDSA-N 604.561 2.124 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 222847417 MUNRLAFPFWVAOI-OAHLLOKOSA-N 559.426 2.229 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222867780 KPGOHFGDTOPCMQ-GOSISDBHSA-N 519.620 2.176 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224267902 IVDDCIBDKPHLRE-UHFFFAOYSA-N 553.703 2.248 0 40 KEAB Cc1ccc(S(=O)(=O)NC(=S)N2CCOCCOCCN(C(=S)Nc3ccc(S(C)(=O)=O)cc3)CCOCCOCC2)cc1 524735180 CPPJFMVJOHZLFX-UHFFFAOYSA-N 688.916 2.043 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](O[C@H](C)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 575372276 OWMZHUQIGVVXJE-RISUENLASA-N 959.904 2.003 0 40 KEAB O=S1(=O)C[C@H](O)[C@@H](N(c2cccc(O)c2)S(=O)(=O)c2cc(Br)ccc2Br)C1 575424939 WFMKFTQAMAETMR-GJZGRUSLSA-N 541.239 2.270 0 40 KEAB O=C1C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1 643566490 FDAVUEDMSPIVRE-PKXQUSJVSA-N 589.737 2.278 0 40 KEAB COc1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NS(=O)(=O)c5ccc(NC(C)=O)cc5)CO[C@H]34)n2)cc1 5433753 ZWEILRMKCVTYIR-CJRSTVEYSA-N 525.587 2.036 0 40 KEAB biogenic,in-vitro Cc1c(NC(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(=O)n(-c2ccccc2)n1C 12595464 AQBQWLFWGUFGHG-YHAMSUFESA-N 511.579 2.103 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)o1 19216774 HYWKROUWFIOIRU-HSZRJFAPSA-N 527.601 2.197 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Br)CC2)cc1OC 44980785 VQQBVNPZOQNIFN-UHFFFAOYSA-N 505.412 2.162 0 40 KEAB CCn1nc(C)c2c1c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)N1CCN(c2ccc(F)cc2)CC1 64775066 LNNUXSIVYNSKLM-UHFFFAOYSA-N 518.593 2.419 0 40 KEAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224095613 IXOGCJDLTXWPDM-IBGZPJMESA-N 503.621 2.413 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 253587954 AGOYDEPGAOXOCK-BMMGZKPZSA-N 747.964 2.440 0 40 KEAB in-vitro Cn1c(=O)c2c(ncn2[C@H]2CC3(CCN(C(=O)CCCn4c(C(F)(F)F)nc5ccccc54)CC3)OC[C@]2(C)O)n(C)c1=O 257317057 VIEFVEXDWHXUFU-DCFHFQCYSA-N 617.629 2.356 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 409155430 QZQBRLPRPFLBGA-KEBLUXQBSA-N 621.712 2.443 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409172643 DZCVBTZLZJMMMH-YIECNSLDSA-N 637.711 2.062 0 40 KEAB CO[C@@]12c3c(C)cc(O)c4c(=O)occ(c34)C(=O)[C@@H]1[C@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@H]3OC(C)=O 1995986 WBQDAYWQELBEPU-FTAQWXBTSA-N 546.484 2.341 0 40 KEAB biogenic COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)cc1OC 38145723 OEROOPQPFFWHCS-VFNWGFHPSA-N 543.602 2.426 0 40 KEAB C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)ccc2-3)C[C@@H](C)O1 100702898 DHBIPMQGIAFGHM-BRSBDYLESA-N 534.656 2.494 0 40 KEAB CCCn1c(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nc2cc3c(cc2c1=O)OCCO3 104130985 NIPXEFMQOWBSRG-UHFFFAOYSA-N 530.603 2.106 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 223077877 MTBOJOUNWHJLGT-UHFFFAOYSA-N 514.604 2.085 0 40 KEAB Cc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 224290257 ZUFWXBNKWCAEBQ-UHFFFAOYSA-N 530.068 2.394 0 40 KEAB COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643569169 YPYKPBLXOMWGPV-NSOVKSMOSA-N 618.687 2.053 0 40 KEAB CN1CCC(CC(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)CC1 643578370 AQEQAETUTFQAFR-IZZNHLLZSA-N 530.710 2.063 0 40 KEAB C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)Nc1ccc2ccccc2c1 669369545 ACTYTFHRZBTXKJ-HKDRDPIHSA-N 529.641 2.349 0 40 KEAB O=C(CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1CCCCC1)OCC(=O)N1CCCCC1 8671145 KAMCEUNMBVZTIK-JOCHJYFZSA-N 531.606 2.173 0 40 KEAB COCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)nc2ccccc21 12546260 RYVHINFWCYYDOK-UHFFFAOYSA-N 520.633 2.443 0 40 KEAB Cc1ccc(S(=O)(=O)NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 12579936 OHHWYZHFMARIJM-WOJBJXKFSA-N 508.622 2.291 0 40 KEAB CCN1C[C@@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@@H]1[C@H](C[C@@H]32)[C@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@]1(O)[C@@H]2OC 100153227 NWBWCXBPKTTZNQ-NYGOXXSMSA-N 584.710 2.222 0 40 KEAB CCS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC)c1ccc2c(c1)OCCO2 222569158 UJADJZAJVQMTKR-INIZCTEOSA-N 510.012 2.431 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409111650 BUWQKSAFXXHDCN-NXLSWJSLSA-N 546.649 2.467 0 40 KEAB O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2ccc(NC(=O)NC[C@H]3CCS(=O)(=O)C3)cc2)cc1 575420341 AZLBIESLAISZIQ-QZTJIDSGSA-N 534.660 2.466 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1 6822019 SCJOLMHMXVPJPR-NRFANRHFSA-N 525.587 2.160 0 40 KEAB CCOC(=O)/C=c1\s/c(=C/c2ccc3ccccc3c2)c(=O)n1CC(=O)NCc1ccc2c(c1)OCO2 33491402 QBFPHWPJPABSLG-FZRXECNHSA-N 516.575 2.281 0 40 KEAB Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(=O)n(-c2ccccc2)n1C 97981510 PCOGBFGTJLMGKY-UHFFFAOYSA-N 537.564 2.448 0 40 KEAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CCN(C)C2 97993348 KMRLJUZITDLVTB-UHFFFAOYSA-N 539.676 2.449 0 40 KEAB CCOC(=O)CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc(OC)cc1)[C@@H](CC)C(=O)NCc1ccc(F)cc1 100331193 KHMCTZOGJWABRL-ONHHHMAZSA-N 549.621 2.008 0 40 KEAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C)ccc3n2CC(=O)OC)cc1 100876131 RBJLTPSNOGFJDB-IZHYLOQSSA-N 535.644 2.209 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1[C@]3(C)CC[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C 257536877 RWXIFXNRCLMQCD-UVYNPAFTSA-N 785.025 2.149 0 40 KEAB endogenous,in-man CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409048796 PBYBONSFTNXOHA-BXDIUNCMSA-N 526.567 2.342 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1C 409387534 BZADWCFKEFZKHE-NRFANRHFSA-N 515.632 2.477 0 40 KEAB CC(C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643573008 MLWJXAJWFVDLRG-YDOHRIOHSA-N 740.858 2.085 0 40 KEAB COc1ccnc(C(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)c1 643577606 BXPOLCCUCARYEL-LOSJGSFVSA-N 526.634 2.049 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1 6547181 YQJFPCFBSPYDMK-SFHVURJKSA-N 501.590 2.262 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N 6601358 RUWQSZBQOFBDON-QFIPXVFZSA-N 539.614 2.286 0 40 KEAB COc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@H]2CCCO2)cc1 13136745 TWRBGIYEIJKVHK-HXUWFJFHSA-N 504.609 2.358 0 40 KEAB CCCN(C(=O)CSc1nc(-c2ccc(OC)cc2)n[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23074340 KPFVBCRZCVNGHE-UHFFFAOYSA-N 521.603 2.496 0 40 KEAB CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@@H](C(=O)O)CC3)cc2)C1=O 103543122 MMZLACCSCMGVHL-IYARVYRRSA-N 520.608 2.139 0 40 KEAB in-vitro CCCN1CN([C@H](C(=O)N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)O)c2ccc(O)cc2)CSC1=S 104298001 IRUWZZNOSLXSML-YIOZNXECSA-N 524.690 2.026 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 224320168 WKIZDTCMWPKOIZ-UHFFFAOYSA-N 527.690 2.129 0 40 KEAB COc1ccccc1OCCN(C)C(=O)[C@@H]1CCC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1 643580610 PRNVJTTWDMSLQN-BJKOFHAPSA-N 582.698 2.493 0 40 KEAB O=C(OC[C@@H]1O[C@@H](n2cc[n+]([O-])nc2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 5372909 QKHVECNFTGXDFP-FQUZAXHOSA-N 557.515 2.082 0 40 KEAB CC(C)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O 6190514 XNJISPIGUVSARX-ZLNRFVROSA-N 522.602 2.058 0 40 KEAB CC(C)OCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1Cl 10386290 CDKHZSXYLVYKKA-CQSZACIVSA-N 500.383 2.397 0 40 KEAB COCCNC(=O)[C@@H](c1ccc(O)cc1)N(CCc1cccc(C)c1)C(=O)c1snc(C(N)=O)c1N 12467212 GUZPSKPGIMVXLA-OAQYLSRUSA-N 511.604 2.027 0 40 KEAB O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 97961160 LAVDDHUVFYPWJX-UHFFFAOYSA-N 579.631 2.150 0 40 KEAB Cc1nn(-c2ncnc3nc[nH]c23)c2c1[C@@]1(CC(O)=N2)C(=O)N(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c2ccccc21 101363594 SRJHDJSIWCMJSQ-LBEKAKSKSA-N 617.692 2.143 0 40 KEAB C[C@H](C(=O)NCCCO)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 222888077 YSEHYXQSXZUXKT-GOSISDBHSA-N 505.612 2.115 0 40 KEAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 222895355 HAQCJRQICZIEKZ-INIZCTEOSA-N 543.427 2.263 0 40 KEAB S=C(NCCN1CCOCC1)Nc1nc(N2CCCCC2)cc(N2CCN(c3ccccc3)CC2)n1 225903546 LOKOPUJBZXWJRL-UHFFFAOYSA-N 510.712 2.412 0 40 KEAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)OC)cc4)c(=O)n32)cc1OCC 408938074 RPCJVJSELKAIQI-PLQXQRLBSA-N 552.605 2.367 0 40 KEAB Fc1ccc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4cccc(N5CCOCC5)c4)CO[C@H]23)cc1 4147807 BVNPXNWUMIQPHC-FNAHDJPLSA-N 527.582 2.135 0 40 KEAB biogenic,in-vitro COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)CNS(=O)(=O)c1ccccc1 12564522 SWNNNXJLLCKIKI-UHFFFAOYSA-N 505.574 2.422 0 40 KEAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](CC(C)C)NC(N)=O)ccc2N2CCOCC2)cc1 32999901 NBCLWKWNAXKWCF-HXUWFJFHSA-N 519.624 2.354 0 40 KEAB COc1ccccc1N1C[C@@H](C(=O)Nc2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)s2)CC1=O 97990162 MXNNHBIVVUIIIV-AWEZNQCLSA-N 526.600 2.368 0 40 KEAB CCc1cc(=O)oc2cc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(Cl)cc12 101969383 HYVXPHGGLPRFAX-PRDVQWLOSA-N 554.932 2.471 0 40 KEAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 102874311 XTDOTQCSUPQNMK-UHFFFAOYSA-N 528.450 2.136 0 40 KEAB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](CCS(C)(=O)=O)C(=O)OCC(=O)c2ccc(OC(C)=O)cc2)C3=O)cc1 409173045 LCONZMVOTZSZPI-MUUNZHRXSA-N 707.666 2.402 0 40 KEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 514300103 SVAZHMDDWYWBSL-CMWHTXFNSA-N 654.701 2.011 0 40 KEAB COC(=O)C[C@](O)(CCC(C)(C)O)C(=O)O[C]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 1560410859 RRFHJVYOTGZNKC-KEKPKEOLSA-N 530.594 2.354 0 40 KEAB CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@]12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12 2230688 GYXVAKHTXGBYPL-HHHXNRCGSA-N 506.511 2.225 0 40 KEAB O=C(C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)n1ccnc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 14067070 SJWNIRHHJXRQDQ-MHZLTWQESA-N 528.657 2.442 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)c(=O)[nH]c1=O 23079611 BHBWMYALYVIUOM-HDICACEKSA-N 535.667 2.020 0 40 KEAB COc1ccc([C@H](c2c(O)n3c(nc2=O)SCCC3)c2c(O)nc3n(c2=O)CCCS3)c(OC)c1OC 102498112 SKMIWLGRNVXYLM-AWEZNQCLSA-N 546.627 2.409 0 40 KEAB O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)N1c1ccc2ccccc2c1 102988078 IDDCKVRTYNIQQV-JOCHJYFZSA-N 507.568 2.249 0 40 KEAB COc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1S(=O)(=O)N1CCCC[C@H]1C 103072682 AEYPACSQVLHPJD-OAQYLSRUSA-N 593.724 2.257 0 40 KEAB CC(C)Cn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 103125052 GDBBUSHGKUEXMN-UHFFFAOYSA-N 558.686 2.452 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224256760 RQNACHHJKGRUFU-HXUWFJFHSA-N 548.083 2.339 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225458567 ANUJCCCJHWDPTL-CQSZACIVSA-N 526.409 2.107 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1 585274992 SUMGBUYOWNYRPI-GDLZYMKVSA-N 538.645 2.380 0 40 KEAB CC(=O)Nc1ccc2c(c1)C[C@H](C(=O)NCCCn1ccnc1)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 1547212377 AAJHCIGYCZMNGR-KKBCGBJISA-N 500.603 2.374 0 40 KEAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[nH]3)C2)cc1 6173181 LIARREVHTWSGKK-IBGZPJMESA-N 522.587 2.226 0 40 KEAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NO[C@@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]12 100354658 ZLARCTCFRSFFAA-XXBNENTESA-N 530.493 2.491 0 40 KEAB C[C@]12C=C[C@]3(O1)[C@@H](C(=O)NCc1ccccc1)N(C[C@@H]1CCCO1)C(=O)[C@@H]3[C@@H]2C(=O)NC1CCCCC1 100431060 ARXFALKOVCPKLM-ODKHTISFSA-N 507.631 2.471 0 40 KEAB COc1ccc(CNC(=O)C[C@H]2N=C3c4ccccc4N=C(SCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)N3C2=O)cc1 150425069 ZYCGPRJMVWRFRO-RUZDIDTESA-N 634.740 2.100 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 224384297 DLHPPKUHWSVAMT-UHFFFAOYSA-N 572.105 2.344 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 260747554 OLXLPOKNBSEQJC-QGZVFWFLSA-N 505.593 2.132 0 40 KEAB C/C(Cl)=C/Cn1c(SCCSc2nc3c(c(=O)[nH]c(=O)n3C)n2C/C=C(/C)Cl)nc2c1c(=O)[nH]c(=O)n2C 6013702 PDNUDELLEPWWEV-CBIKUMSCSA-N 599.526 2.330 0 40 KEAB CC(C)=CCc1c(O)cc(O)c2c(=O)c(O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)c(-c3ccc(O)cc3)oc12 14762772 RPLMLWBOUPDPQF-ITOZWUGLSA-N 500.500 2.292 0 40 KEAB biogenic,in-vitro O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cc(Cl)cc(Cl)c1 59781049 VEKNVDPNJJRXEN-OAQYLSRUSA-N 562.454 2.196 0 40 KEAB CCOc1ccc(NC(=O)Cn2c(=O)n(CCCc3nc(C)no3)c(=O)c3cc4c(cc32)OCO4)cc1 62728285 RNLRLMRAWUPFAF-UHFFFAOYSA-N 507.503 2.254 0 40 KEAB Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)ccc1-n1cnnn1 100337162 MFOMKSKWYRGJCZ-AMGIVPHBSA-N 552.599 2.180 0 40 KEAB C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5C[C@@H]6O[C@]7(CC[C@@H](C)CO7)[C@@H](C)[C@@H]6[C@@]5(C)CC[C@@H]43)C2)[C@H](O)[C@H](O)[C@H]1O 253638169 HDXIQHTUNGFJIC-FOAHKCLGSA-N 722.913 2.390 0 40 KEAB biogenic,in-vitro COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)C1 260749106 STGFIFOHIXYCIP-INIZCTEOSA-N 513.613 2.432 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 8767140 YAKACQBIFZKQDQ-QFXGEWDLSA-N 510.591 2.282 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4)C3=O)CC2)c(C)c1 32636227 HERIWCQFNLKOOJ-DEOSSOPVSA-N 519.023 2.257 0 40 KEAB CC(C)(C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 97981522 YXGYBNNXKHVATJ-UHFFFAOYSA-N 540.278 2.142 0 40 KEAB COC(=O)[C@]12C=C[C@@H](CC1)[C@H]1C(=O)N(c3cccc(N4C(=O)[C@H]5[C@H](C4=O)[C@@H]4C=C[C@]5(C(=O)OC)CC4)c3)C(=O)[C@H]12 104058967 AQJQBGWZFOYOQM-MAZOLTEGSA-N 544.560 2.176 0 40 KEAB O=C1N[C@H]2CCN(C(=O)Cn3ccnc3)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1 2037885065 VVDQWHOIDHBONH-DSNGMDLFSA-N 519.646 2.091 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 623796 ZKZVMPRCHITRQU-QCHPHUCNSA-N 506.536 2.259 0 40 KEAB CCCN(CCC)C(=O)Cn1c(=O)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2sccc21 9598796 OUJRTQOCHCLXBB-UHFFFAOYSA-N 530.647 2.249 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)NC)CCC4)cc2)CC1 9599750 LQJPZKGBHASRFL-UHFFFAOYSA-N 520.633 2.312 0 40 KEAB COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1 13085153 DRXFBTIDFJGLKL-JOCHJYFZSA-N 513.591 2.189 0 40 KEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1 20674965 AXKDDJIESWOIOE-PKTZIBPZSA-N 526.590 2.249 0 40 KEAB Cn1cc(P(=O)(N2CCOCC2)N2CCOCC2)cc1P(=Nc1ccccc1)(N1CCOCC1)N1CCOCC1 97984862 FMBIQQUQDFRYAK-UHFFFAOYSA-N 592.618 2.161 0 40 KEAB COCCN(C(=O)COC(=O)CCCc1c[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 102956955 SQFAFHAGNGHYLP-UHFFFAOYSA-N 533.585 2.194 0 40 KEAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 224309432 CDVDJXQPTPCLBY-UHFFFAOYSA-N 527.640 2.352 0 40 KEAB CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 253389149 YOSRLTNUOCHBEA-LNGLGGCRSA-N 794.976 2.409 0 40 KEAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1 260912800 YTBWAJVLNMILAD-IBGZPJMESA-N 507.634 2.055 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3C(=O)O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409047995 VNUUTSTWVLYPHX-BLJGQIRFSA-N 580.615 2.447 0 40 KEAB CO[C@H]1CCCN(C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(C)C)N(C)C(=O)Cc2ccccc2OCc2ccccc2)[C@H]1CCC(=O)N[C@@H](CC(N)=O)C(=O)O 585294629 SOHARODCDLPTKO-RFVUIIHBSA-N 781.904 2.262 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCOCCOCCN(C(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CCOCC2)C(C)C)cc1 4018372 QSDRDNPBRVFEFS-ROJLCIKYSA-N 724.943 2.330 0 40 KEAB COC(=O)C[C@@H](NC(=O)[C@@H](Cc1cncn1C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 4879529 OMRMPOFWTDYPRJ-FGZHOGPDSA-N 552.540 2.038 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1)OCO3 6444884 KQHCHJIFKGTQLS-CPJSRVTESA-N 533.564 2.473 0 40 KEAB CC[C@H](C(=O)NC1CCCC1)N(CCN(CC)CC)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 6820962 VQEKKLHGZKHTPA-OAQYLSRUSA-N 515.659 2.365 0 40 KEAB COc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2N(C)C)N2CCOCC2)cc1 12414001 APGPOLGXODCXPC-QFIPXVFZSA-N 525.071 2.468 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 20450639 RAUGIIDCTJZIKW-UHFFFAOYSA-N 523.633 2.061 0 40 KEAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1 20459167 DKSXQJCVJAYPGL-INIZCTEOSA-N 519.605 2.388 0 40 KEAB Cc1nc(Nc2ncc(C(=O)Nc3c(Cl)cccc3CO)s2)cc(N2CCN(CCO)CC2)n1 22060813 KZNOWBHQESWSTD-UHFFFAOYSA-N 504.016 2.497 0 40 KEAB in-vitro CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1 98006327 AKXPHPMFWSADMA-VSGBNLITSA-N 542.640 2.115 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 100886925 LSWGCTUTYCYFCC-GAISBVLPSA-N 586.464 2.434 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](N2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 103009227 GBQHRAGPKCIDLC-POHUPDAJSA-N 615.476 2.444 0 40 KEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 224138474 GEOQKCHJZVUCJK-UHFFFAOYSA-N 528.037 2.446 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 224235941 UOKCICBMOMRPMA-UHFFFAOYSA-N 530.068 2.186 0 40 KEAB CS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c(Cl)c1 224321597 XKEJFPUPQNHHCR-UHFFFAOYSA-N 502.014 2.305 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224867658 YRGJIFNIZQPFOA-QGZVFWFLSA-N 507.584 2.306 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)cc3)c(=O)n2[C@H]1c1ccccc1Cl 409200359 KZGGTJHVSVOTPQ-PSXBWXLBSA-N 511.987 2.316 0 40 KEAB O=C(CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1)N1CCC[C@H](N2CCOCC2)C1 643558355 JJZNEOSVQUXKIJ-VWLOTQADSA-N 512.695 2.313 0 40 KEAB Cc1nc(CC(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cs1 643579120 UFHFJZPBUJZRRW-BJKOFHAPSA-N 530.691 2.339 0 40 KEAB CCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)c2ccccc21 2059883 UGIKAUDHAOJHNE-VFJWVMJUSA-N 517.563 2.070 0 40 KEAB CCN1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2Cc2ccc(OC)cc2)CC1 20081000 NQHZPJJAFFNXCA-XMMPIXPASA-N 503.563 2.027 0 40 KEAB CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)co2)s1 97990829 BCAYHVKFDIKBKL-UHFFFAOYSA-N 566.639 2.372 0 40 KEAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3cccc(I)c3)c(=O)n12 100574232 DASNBTKJDYFXCB-DURKPXIESA-N 532.359 2.464 0 40 KEAB biogenic CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 223539084 MGYLSSPPIZZKRF-XMMPIXPASA-N 505.637 2.199 0 40 KEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 226058226 OWOLVIIUWZQCPL-UHFFFAOYSA-N 530.068 2.113 0 40 KEAB CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2CC[C@]3(C)[C@H]4CC[C@H]5[C@](C)(C(=O)O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@@H](O)C[C@@H](O)[C@@]5(C)[C@@H]4CC[C@@]23C)O1 253529779 RMRBTLGKWDDWSB-FYAHFNHNSA-N 668.865 2.035 0 40 KEAB biogenic,in-vitro CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 408596575 RTYULHAJGJBTLF-LJQANCHMSA-N 513.576 2.287 0 40 KEAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)cc1 408663595 YTHWFTHLLWUTPV-CYBMUJFWSA-N 508.314 2.455 0 40 KEAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C)c2)cc1 408675293 UXTBYURLJJLMIF-UHFFFAOYSA-N 505.574 2.469 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 409207323 SGAHMFJAGMESIP-BLJGQIRFSA-N 535.622 2.370 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)ccc3OCC(=O)N3CCOCC3)C2=O)o1 409399408 IKJALOSMPJWFOP-BOPFTXTBSA-N 548.346 2.159 0 40 KEAB COC(=O)C[C@@](O)(CCC(C)(C)O)C(=O)O[C@H]1C(OC)=C[C@@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 15657761 HAVJATCHLFRDHY-CUFBHMEESA-N 531.602 2.191 0 40 KEAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1 20031787 YEJBXYUFVJPTEW-OAQYLSRUSA-N 505.662 2.497 0 40 KEAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)CC2)cc1 22523017 UPXQUYPRTTVTBO-UHFFFAOYSA-N 505.662 2.376 0 40 KEAB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](c3ccc(O)cc3)N3CSC(=S)N(C(C)C)C3)[C@H]2SC1 34172329 RLLDJYRKFNTHPT-WRWLIDTKSA-N 522.674 2.151 0 40 KEAB Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc(CCO)c(=O)[nH]c3=O)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1 43771784 OOZVHNULOVTJKS-YTFSRNRJSA-N 508.527 2.058 0 40 KEAB CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccco2)(C(F)(F)F)C(=O)N3)cc1OCC 100121970 SKUAZLXFAHAXET-HSZRJFAPSA-N 536.463 2.309 0 40 KEAB COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1cccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)c1 170593551 OGRQOXXUZIKSML-YIJPIXHESA-N 566.394 2.394 0 40 KEAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)c(F)c1 223474226 KZOFSDSMEDNSMD-UHFFFAOYSA-N 517.576 2.171 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224237148 VPZLCVQJTCLMHX-HXUWFJFHSA-N 518.057 2.330 0 40 KEAB C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224297938 LLZMBMSYUWXPKA-QGZVFWFLSA-N 530.068 2.474 0 40 KEAB COc1cccc(-c2noc(CNC(=O)CCc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)n2)c1 225825080 RNTRFTOTYDRZPZ-UHFFFAOYSA-N 516.576 2.024 0 40 KEAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)Oc3ccc(C)cc32)cc1 260886123 FDJCLHMPNVKUMP-MUUNZHRXSA-N 615.730 2.476 0 40 KEAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 408590201 GSZDIEVJQHLRLU-OVCLIPMQSA-N 504.293 2.453 0 40 KEAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3OC)C2)cc1 408652620 GGDXZGNKTLCVGA-SFHVURJKSA-N 511.531 2.327 0 40 KEAB O=C(NCCN1CCN(C(=O)c2ccccc2Br)CC1)C(=O)NCc1ccc(Cl)cc1 408996554 ISLPVJOVJOMWGE-UHFFFAOYSA-N 507.816 2.293 0 40 KEAB CCN1CC(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N[C@H](C(=O)NCCCc2nc(C)cs2)CCC1=O 643577927 JZBVHZWJHHCHBI-FCHUYYIVSA-N 557.717 2.461 0 40 KEAB O=C1CN(CCCOc2ccc(CN3CCOC[C@@](O)(COc4cccc(Cl)c4)C3)cc2)C(=O)N1 2037928456 BTEBSZFMQFOXMQ-RUZDIDTESA-N 503.983 2.303 0 40 KEAB Cc1ccc(CNC(=O)Cn2c(=O)c3sccc3n(Cc3cc(=O)n4c(C)cccc4n3)c2=O)cc1 2687397 PPEQIIADMLRZQA-UHFFFAOYSA-N 501.568 2.214 0 40 KEAB CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cccnc1SC 12545595 OIBCOUXZZXGOPG-UHFFFAOYSA-N 522.649 2.466 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)O)C(C)C 15959676 TUYUARLXNQWHBX-DZWOVHDNSA-N 522.602 2.230 0 40 KEAB biogenic CC(C)[C@H]1NC(=O)C2=CN(Cc3ccccc3)C=C[C@H]2NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC(=O)C2=CN(Cc3ccccc3)C=C[C@H]2NC(=O)[C@@H](C)NC1=O 150422875 GGXKAYMHZWWWNE-UHZUUGQASA-N 764.928 2.087 0 40 KEAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCNS(=O)(=O)c3ccc(C)cc3)cc2)cc1 222697538 RBHJPYIOCUZGBV-UHFFFAOYSA-N 533.628 2.278 0 40 KEAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224617648 RIZALTSLJLZKEA-OAQYLSRUSA-N 503.621 2.210 0 40 KEAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 226054500 CIHPYWYEVYFMLL-UHFFFAOYSA-N 523.677 2.204 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\[C@H]3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036198 AMJPOQCHPWGNQY-DXLFBJKCSA-N 713.190 2.418 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c1 409367356 UMWRTBHQKVHGBL-UHFFFAOYSA-N 531.631 2.178 0 40 KEAB Cc1ccc(Cl)c(OC[C@@]2(O)CN(Cc3ccc(OCCCN4CC(=O)NC4=O)cc3)CC[C@@H]2O)c1 585282114 XWHMHZSDPRDQHD-OZXSUGGESA-N 518.010 2.346 0 40 KEAB CCOC(=O)c1ccc(N2CN=c3s/c(=C\c4ccc(I)o4)c(=O)n3C2)cc1 1246919 ADLXGZJQQDUNHX-DHDCSXOGSA-N 509.325 2.168 0 40 KEAB COCC(=O)Nc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NCc1cccnc1 3841619 PPEGEISGFOYKRN-LDWUQXNOSA-N 502.637 2.245 0 40 KEAB biogenic,in-vitro NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N 12473356 CQOMPQLLTKZIAZ-KXBFYZLASA-N 501.540 2.235 0 40 KEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2c1ccc(OC)c2OC 12662680 WDILCRRJVPQYJF-HHJKRLRDSA-N 521.526 2.246 0 40 KEAB biogenic O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2)CC1)OCO3 20081021 IPPYSNUZSJZWKP-NLFFAJNJSA-N 515.574 2.334 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@@H]([C@H]2C)[C@]1(C)O 169304823 WLOHNSSYAXHWNR-NXPDYKKBSA-N 835.086 2.202 0 40 KEAB world CN(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1cccnc1)S(C)(=O)=O 260716783 FNYDOYHEJLPHSM-XMMPIXPASA-N 512.607 2.368 0 40 KEAB COCCOCC(=O)Oc1cc2occ(-c3ccc([C@@H](OCCOC)C(=O)O)cc3)c(=O)c2cc1OC(=O)COCCOC 263583578 LEBAANFMPBYMMZ-GDLZYMKVSA-N 618.588 2.386 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031644 HQVAJPWQTNYZAQ-XQAWFANUSA-N 612.657 2.472 0 40 KEAB CN(C)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Br 514383981 ILBPADNGNHVZLJ-ZDUSSCGKSA-N 518.293 2.341 0 40 KEAB O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1CCCCC1)OCC(=O)N1CCCCC1 8671144 KAMCEUNMBVZTIK-QFIPXVFZSA-N 531.606 2.173 0 40 KEAB O=c1c(C(c2cccc(Br)c2)c2c(O)nc3n(c2=O)CCS3)c(O)nc2n1CCS2 13765344 RKVAUBONBATALB-UHFFFAOYSA-N 507.391 2.365 0 40 KEAB Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC(C(N)=O)CC3)c2)c(=O)n(-c2ccccc2)n1C 38139416 UIBAXUQHEAGGBZ-UHFFFAOYSA-N 546.049 2.300 0 40 KEAB CCCOc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)cc1OCCC 103051712 GNCBXNNEMMUPLQ-UHFFFAOYSA-N 588.639 2.219 0 40 KEAB CCOC(=O)C1=C(COC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)NC(=O)N[C@@H]1C 103135732 ANZYFZMKSXNTQN-CYBMUJFWSA-N 528.543 2.216 0 40 KEAB CCC[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 164377314 BBAWEDCPNXPBQM-KZZRGABUSA-N 679.863 2.446 0 40 KEAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C(=O)N1CCCC1 224381048 XTMGLQLSSBEQLD-UHFFFAOYSA-N 551.687 2.463 0 40 KEAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3c(OC)cccc3OC)C2)cc1 408662665 XIRIATGRHMZJNY-SFHVURJKSA-N 541.557 2.336 0 40 KEAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C4\C(=O)Nc5ccccc54)c(=O)n32)cc1OCC 408932731 DSOBOMLFGOJYHU-SADKCHQCSA-N 505.552 2.138 0 40 KEAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 11665868 LAMQPGHQNWMFGZ-UHFFFAOYSA-N 517.493 2.308 0 40 KEAB COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)NC(=O)C2CCCCC2)cc(OC)c1OC 13146676 VCMFWVPLCGNVTJ-KRWDZBQOSA-N 510.609 2.330 0 40 KEAB COc1ccc(C(=O)NCCc2nnc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)n2C)cc1 28211704 BCBFGUQAJUUMHL-UHFFFAOYSA-N 512.611 2.376 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 38757040 PRPBPMKJZOGTTH-UHFFFAOYSA-N 523.633 2.061 0 40 KEAB CCCN1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 67337943 ZNQWRGOUXKFMRB-UHFFFAOYSA-N 509.076 2.061 0 40 KEAB NS(=O)(=O)c1ccc(CNC(=O)c2cccc(NC(=O)C[C@H]3SC(N4CCCCC4)=NC3=O)c2)cc1 102911283 LODCTXIQWMVIEX-HXUWFJFHSA-N 529.644 2.077 0 40 KEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c1 102920348 NFEZNQXZDGXMSF-UHFFFAOYSA-N 535.469 2.004 0 40 KEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 224220227 ZWTYWGBNTHYDNR-QFIPXVFZSA-N 538.692 2.123 0 40 KEAB CCn1c(C)nc2cc(C(=O)N3CCC4(CC3)C[C@H](n3cnc5c(N)nc(N)nc53)[C@@](C)(O)CO4)ccc21 257306607 SVAISMKYWNANLV-DFBJGRDBSA-N 519.610 2.056 0 40 KEAB NC(=O)C1CCN(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)CC1 409182628 NQVMTNLVOZRONS-UHFFFAOYSA-N 527.384 2.210 0 40 KEAB C[C@@H]1CN(C2CCN(S(=O)(=O)c3cnc(O)nc3O)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl 618257064 QHWMPZCYCMPHSY-GFCCVEGCSA-N 536.964 2.319 0 40 KEAB COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N3CCC[C@H]3C(=O)N[C@H](CC(C)C)COc3ccccc3C(=O)N2)cc1 643566362 XFGRQCGPTDPLDL-NYMACZPPSA-N 580.682 2.293 0 40 KEAB C=CC(=O)N1CC[C](Oc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CC)C1 1560405228 VLQQHGOKEWNPJZ-UHFFFAOYSA-N 561.711 2.427 0 40 KEAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)C1 15981547 AQJARQICBMNDGA-KDURUIRLSA-N 517.604 2.088 0 40 KEAB O=C(NC[C@@H]1CCCO1)[C@@H](c1ccncc1)N(Cc1cccs1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 17414096 WOWILPFOCUFWOT-YADARESESA-N 554.650 2.353 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20112556 MSQIJNPGUHKPTQ-IBGZPJMESA-N 518.013 2.201 0 40 KEAB CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1OCC 32966723 OYHVRAHNVYNARH-UHFFFAOYSA-N 529.590 2.441 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]45)[C@H]23)ccc1O 100872280 YAIVYBNOQIIQME-DMHJHBPNSA-N 502.570 2.099 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222867842 KPGOHFGDTOPCMQ-SFHVURJKSA-N 519.620 2.176 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4C=CC4=C6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@@]45C)C3(C)C)O[C@@H](C(=O)O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 253500795 LXAMCLNOVGHDMD-OFIVFAAASA-N 895.093 2.291 0 40 KEAB biogenic,in-vitro CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(-c5ccccc5)ccc4C(=O)N3)CC[C@@H]2O)CC1 514287594 OSHWFMHFKNYCEE-UQROFJETSA-N 590.721 2.344 0 40 KEAB CCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCCCCCOc2ccccc2C(=O)N1 1615161802 XGACIGBZMZASLQ-ZEQRLZLVSA-N 538.645 2.203 0 40 KEAB COCCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC 6904953 FEGDEDFMRCDIDA-HXUWFJFHSA-N 531.566 2.131 0 40 KEAB CCOC(=O)c1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc(C(=O)OCC)c1 12876818 KGZCQNYQZYLVDN-UHFFFAOYSA-N 510.590 2.304 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 103904216 OFLGJRUYKGNWQB-AQIZGWBQSA-N 562.648 2.396 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 225459321 RTPNCSPNYVLNTR-MRXNPFEDSA-N 511.442 2.225 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@@H]1[C@H](C[C@@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC 249693498 NWBWCXBPKTTZNQ-UGCVGQSJSA-N 584.710 2.222 0 40 KEAB biogenic,in-vitro CN1CCC(N2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(-c5ccccc5)ccc4C(=O)N3)CC[C@@H]2O)CC1 514287578 NOUQGCGREWVPAT-IKJZKLLOSA-N 562.711 2.428 0 40 KEAB CC(=O)N1CCCN(C)CCN(C(=O)CCc2cnc([C@@H]3CCCN3S(C)(=O)=O)cn2)Cc2ccccc21 643554694 XQYMSTUHFMSRJZ-SANMLTNESA-N 542.706 2.223 0 40 KEAB COc1cccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1 643580460 MPCMGMWCRQFAQH-LOSJGSFVSA-N 568.671 2.151 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1 6822189 XECIZVPFGRIALJ-JOCHJYFZSA-N 539.614 2.463 0 40 KEAB CC[C@]1(C)NC(=O)N(NC(=O)CSc2nc3cc(C(=O)OC)ccc3c(=O)n2-c2ccccc2)C1=O 62563997 MJWOVYUEMKOPDX-DEOSSOPVSA-N 509.544 2.016 0 40 KEAB C[C@H](Cn1cccn1)N(CC(=O)N(C)C[C@H]1COc2ccccc2O1)CC(=O)N(C)C[C@@H]1COc2ccccc2O1 102758078 BFCRPOMEGTXNOB-SMIHKQSGSA-N 563.655 2.170 0 40 KEAB COc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1OC 103127157 QCSHSXGGCZHEIG-KRWDZBQOSA-N 555.005 2.177 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 224581694 DHSXIRNEQILPFR-JOCHJYFZSA-N 508.616 2.391 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225715229 QOEJMTKNWDEVCD-UHFFFAOYSA-N 527.646 2.474 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OCCCNC1=O 643567396 FOEJGVLIHHYHFE-DQEYMECFSA-N 557.736 2.377 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2)CC1 11852969 BBTLEVKXXRRSIY-UHFFFAOYSA-N 552.656 2.415 0 40 KEAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 20033004 SFTWVPOIFUJQBN-UHFFFAOYSA-N 523.677 2.033 0 40 KEAB CCOCCn1c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 20235362 RXHVZCHUIOPGFI-UHFFFAOYSA-N 516.646 2.377 0 40 KEAB COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1OC 100471850 DIEUTOQFTGFDQE-NRFANRHFSA-N 543.617 2.198 0 40 KEAB O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C(=O)N1C[C@@H]1CCCO1 101091475 CDWHTEMYCKNZLL-DVNZQXEZSA-N 526.387 2.297 0 40 KEAB COC(=O)c1ccc2c(=O)n(-c3cccc(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)c3)c(=S)[nH]c2c1 102221584 BBWRSYLQZOGVEV-UHFFFAOYSA-N 538.607 2.455 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 223981211 XHXODEYYFHBGLR-KRWDZBQOSA-N 507.609 2.032 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 225675017 CUJOFOQWSHXTBP-KRWDZBQOSA-N 505.593 2.132 0 40 KEAB Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)Cn3nc4ccccc4n3)CCO2)ccc1Cl 585287532 YOGGQHRYEKKMAK-MHZLTWQESA-N 541.052 2.234 0 40 KEAB O=C1C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)N1 643566785 YSAZYCWTFYFKAW-DPFTZIENSA-N 669.779 2.140 0 40 KEAB CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O 4091787 PFBLKVNVZYAFHC-ZGIBFIJWSA-N 661.756 2.249 0 40 KEAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 12914640 SHMJMLFXPKFACF-UHFFFAOYSA-N 513.663 2.125 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 20030600 SPQZETQICLZLSX-UHFFFAOYSA-N 515.657 2.487 0 40 KEAB CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 20031038 TVOGRAZYVHUDML-UHFFFAOYSA-N 500.042 2.452 0 40 KEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)n1 44841127 KZXVMPCFIULQHQ-UHFFFAOYSA-N 518.621 2.389 0 40 KEAB CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]2O)CC[C@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 169719174 LPLVUJXQOOQHMX-HFQKVTSYSA-N 822.942 2.246 0 40 KEAB biogenic COC(=O)c1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccc(OC)c5ccccc45)C3)C2=O)cc1 225395275 RUNWNGGDACZVIG-RDGATRHJSA-N 529.593 2.194 0 40 KEAB biogenic,in-vitro Cc1c([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)ccc2c1C[C@H]1[C@H]2CC=C2C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]21C 255278517 WXQHVBNTINGJJR-NIFRNHPISA-N 571.755 2.419 0 40 KEAB CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643568766 FTBYSBSSOCRSBO-WIOPSUGQSA-N 559.063 2.405 0 40 KEAB C[C@@H]1CC[C@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 2060999928 WBDDWIKJZNNKBQ-DPYYBHGNSA-N 766.966 2.492 0 40 KEAB CC(C)=CCC[C@](C)(O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O)C[C@@]12C 2061001111 VHVHTNGBFJFMJS-AEEOIUAQSA-N 785.025 2.149 0 40 KEAB Cc1ccc2nsnc2c1S(=O)(=O)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6409418 DIWLCZQXKINHOL-UHFFFAOYSA-N 502.574 2.186 0 40 KEAB CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)CC1 20081444 MCAKULCSSXVVJH-UHFFFAOYSA-N 521.661 2.342 0 40 KEAB CC(C)(C)OC(=O)CN(CCN(CC(=O)O)CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C 102264780 UCYDHTFZLUTQLJ-UHFFFAOYSA-N 617.781 2.344 0 40 KEAB O=C(NCCSc1ccccn1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 222394172 SFHXBKJLWOLRSM-JOCHJYFZSA-N 546.696 2.054 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 224472831 ZXKXQDKKVWWOTR-UHFFFAOYSA-N 630.583 2.207 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 225019823 QUHXUHXSXCCOFR-GOSISDBHSA-N 521.636 2.422 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 225227086 WAZZHXXSZNSLTE-FQEVSTJZSA-N 531.631 2.196 0 40 KEAB COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCCC1 226045171 VWVNQFXAZZNMSR-UHFFFAOYSA-N 521.661 2.237 0 40 KEAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCC(=O)O)c(OC)c2)C1=O 409105233 KBDRAIHARVTMML-UGZWPXFQSA-N 521.285 2.361 0 40 KEAB CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O 1529084295 FJFLYSMWSRRMRO-OCBJUFRSSA-N 609.731 2.001 0 40 KEAB CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCn2ccnc2)c2ccccc21 3767793 JIDFDMHYHBCEKG-QJOMJCCJSA-N 520.615 2.470 0 40 KEAB CCOC(=O)CN1C(=O)[C@]2(N[C@@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c2ccccc21 12413366 XWLRTNZHBAPKED-HGXGVQFASA-N 507.612 2.318 0 40 KEAB NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)cc1 59852128 OFMDIXRPZYCISK-UHFFFAOYSA-N 536.031 2.434 0 40 KEAB C[C@@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 85627788 WBWWGRHZICKQGZ-CNSNOFLISA-N 515.713 2.368 0 40 KEAB CC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n12 100936028 NXXZUVBMMIOJQO-ZFNWARKJSA-N 510.369 2.360 0 40 KEAB CCOC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](N)Cc1ccc(OCc2ccccc2)cc1 150381549 PKSYUSBHIMIUJC-XSHKJCDBSA-N 646.741 2.326 0 40 KEAB COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1cccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)c1 170593554 OGRQOXXUZIKSML-NSGJSMTFSA-N 566.394 2.394 0 40 KEAB COC(=O)c1cc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc(C(=O)OC)c1 224737741 RKKXQADEOJMUHT-UHFFFAOYSA-N 506.533 2.216 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409010281 BPRMTIWKBAWOSV-MGXIGDRJSA-N 591.686 2.435 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 409016755 VPIIOMNTVKZWFI-OXIKZWMZSA-N 561.660 2.344 0 40 KEAB CC(=O)C[C@]12CCC(C)=CC[C@]13CC[C@@]2(C)[C@@](C)(/C=C/C=C(\C)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)OC3=O 2061000751 PONQZACKSXPFBQ-VYJBUJLKSA-N 562.656 2.030 0 40 KEAB Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1N[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O 5741614 GHFJZNGBIKFXKG-OQIJWPOYSA-N 541.196 2.070 0 40 KEAB CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCOC)c2ccc(OC)cc2)cc1 6600982 FLGNSWLLYLXSOJ-NRFANRHFSA-N 527.603 2.382 0 40 KEAB Cc1cccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c12 19941525 WIFGNIXYWDUZSB-CVDCTZTESA-N 503.563 2.142 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 20032161 SKVYHMPUXSWNCK-UHFFFAOYSA-N 509.650 2.053 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCOC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 102939496 KLRAYVUCUVSVFY-UHFFFAOYSA-N 537.660 2.088 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 408985775 NFQOJANCVCPVEE-ROOYPZPVSA-N 598.630 2.296 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409032025 ILVOUGVXUTVZNL-VBNQSNJYSA-N 706.799 2.381 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 409158416 XJBBIPKSLUQRCZ-WNRWPCNTSA-N 583.688 2.106 0 40 KEAB COc1ccc2cc([C@@H](CC(N)=O)c3oc(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)cc(=O)c3O)c(O)nc2c1 524729525 XFOHTMPXBZEREJ-PLMTUMEDSA-N 558.591 2.396 0 40 KEAB biogenic CN1CCOc2ccccc2CCCCCC2(CCN(C(=O)[C@H]3COCCN(S(=O)(=O)N(C)C)C3)CC2)C1=O 643562414 RZOLDVOLKWKCIH-XMMPIXPASA-N 564.749 2.004 0 40 KEAB Cc1nc(=O)c2c(C)c(C(=O)N3CCC4(CCCCOCCCNC(=O)[C@H](C)NC4=O)CC3)sc2[nH]1 643564143 OCDFAUKJGZMLGQ-INIZCTEOSA-N 517.652 2.035 0 40 KEAB COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)COc3ccccc3C(=O)N2)cc1 643565739 MCAVNZMVYPYOHW-AHCMPFEKSA-N 582.698 2.443 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCc3nccn3C)cc2)C[C@](O)(COc2ccc(F)cc2)C1 2037928482 WBWSTHVKHAJLBG-HHHXNRCGSA-N 512.582 2.239 0 40 KEAB COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H]1CN(C(=O)c2cccnc2)CCN1C(=O)c1cccs1 4277827 UUXGICISQXJTEP-FCHUYYIVSA-N 536.610 2.019 0 40 KEAB biogenic,in-vitro COc1cc([C@@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)c2snc(C(N)=O)c2N)cc(OC)c1OC 6906249 DKWSHZUPJSWIAS-KKSFZXQISA-N 561.661 2.271 0 40 KEAB COc1ccc(CCn2c(SCC(=O)Nc3ccc(C(=O)O)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 12558980 PTZFVLJGYILZBT-UHFFFAOYSA-N 523.571 2.114 0 40 KEAB COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc(OC)c1C 13097472 BCSGTSKEPGGLMF-UHFFFAOYSA-N 505.593 2.122 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)/N=c2\sccn2S(=O)(=O)c2cc(OC)ccc2OC)c1 41124579 AKDFIJKXWBGXJM-VXPUYCOJSA-N 500.576 2.111 0 40 KEAB CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 98007018 GZTFEZXRWFPLQF-FQEVSTJZSA-N 553.616 2.004 0 40 KEAB CCOC(=O)c1c(NC(=O)COC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)sc2c1CC[C@H](C)C2 102984277 HXDHNQPQLPYTRI-HNNXBMFYSA-N 579.697 2.243 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 225671886 RQSWMQXRBXHDPF-UHFFFAOYSA-N 581.713 2.471 0 40 KEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1OC 226037059 XIIAEDXFJZTDFA-VWLOTQADSA-N 539.610 2.435 0 40 KEAB COC[C@H](C)n1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)nc2ccccc2c1=O 2642318 ZXBWTNVXVQBKKQ-INIZCTEOSA-N 521.599 2.070 0 40 KEAB CC(=O)c1ccc(S(=O)(=O)NCCCc2c(C)nc(NS(=O)(=O)c3ccc(C(C)=O)cc3)[nH]c2=O)cc1 4633006 RRVRYTHMZXAPIU-UHFFFAOYSA-N 546.627 2.195 0 40 KEAB CC[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(OC)cc1)C(=O)C[S@@](=O)CC(=O)Nc1ccc(OC)cc1 6821189 NBTPOBRBJACTDU-QJARYDGTSA-N 559.685 2.494 0 40 KEAB CCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3cccc(OCC(=O)N4CCOCC4)c3)c(=O)n21 8452790 FRBSHNJVMPCOLQ-QEYQTOMISA-N 577.659 2.045 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(Cl)cc4)o3)[C@H]2SC1 9201713 UZDJAUSXPPRLAJ-LAUBAEHRSA-N 506.920 2.427 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 59418621 ZRDUOEBWACSIHE-VVOOWDFBSA-N 506.536 2.452 0 40 KEAB COc1ccccc1-c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1N 103124397 WXTLFJIDJRDFJR-UHFFFAOYSA-N 538.655 2.446 0 40 KEAB Nc1cnn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)n1 108447320 BNYBUTCVPIZYGY-WJNCPCKPSA-N 556.531 2.426 0 40 KEAB biogenic CN1CCN(S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2Cl)CC1 224406989 MHMRPJFIWURCCS-UHFFFAOYSA-N 585.148 2.260 0 40 KEAB O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc5c(c4)OCO5)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1 253403443 PWRWXOKQYNUKGF-AXWQWZDISA-N 634.730 2.100 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)[C@@H](O)C[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 257198905 LKRDZKPBAOKJBT-RZTRJCRFSA-N 780.949 2.218 0 40 KEAB CCOC(=O)N1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 409004261 OXUIBGXRFGTRPT-UHFFFAOYSA-N 521.592 2.208 0 40 KEAB Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)ccc1Br 409407459 GBLJOKHQJYHWFV-UHFFFAOYSA-N 546.465 2.183 0 40 KEAB C[C@@H]1C[C@@H](C)CN(c2nc3c(c(O)nc(=O)n3C)n2CCCn2c(N3C[C@H](C)C[C@@H](C)C3)nc3c2c(O)nc(=O)n3C)C1 584906159 XJKSWFUCQUNESH-NCXUSEDFSA-N 594.721 2.040 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCCn3ccnc3)c(OC)c2)C[C@](O)(COc2ccccc2)C1 585274513 ZJBHCRLKLLEXIK-GDLZYMKVSA-N 538.645 2.462 0 40 KEAB C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O 643566759 YKIZKIYCSAXIBX-RMDSEJHCSA-N 577.726 2.134 0 40 KEAB Cc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 9764144 JBFVHXKRCJKUFK-DEOSSOPVSA-N 509.584 2.411 0 40 KEAB COC(=O)C[C@](O)(CCC(C)(C)O)C(=O)O[C@H]1C(OC)=C[C@@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 26892394 HAVJATCHLFRDHY-WKWYISCVSA-N 531.602 2.191 0 40 KEAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)c2c1 32999991 LXTWSANLDIMDTE-OAQYLSRUSA-N 518.661 2.423 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@]1(C)O 94303288 KYTWXIARANQMCA-PGYIPVOXSA-N 748.952 2.047 0 40 KEAB COC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)sc2c1CC[C@@H](C)C2 97981505 NLJCVUNCGAVJEI-MRXNPFEDSA-N 549.671 2.376 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)CCCOc2ccc(Cl)cc2C)[C@H](OC(C)=O)[C@@H]1OC(C)=O 97983228 LBSRZJUTWXANAX-KYHHALJESA-N 557.980 2.007 0 40 KEAB O=C(NCCN1CCOCC1)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223440790 CZHMZGIJXPGAQK-YTTGMZPUSA-N 654.761 2.444 0 40 KEAB CC1(C)NC(=O)N(CCOc2ccc(CN3CCOC[C@@](O)(COc4ccc(F)cc4)C3)cc2)C1=O 585279750 GOJSPPNMGDVANK-AREMUKBSSA-N 501.555 2.177 0 40 KEAB CC(=O)O[C@H]1C2=C(C)[C@H](OC(C)=O)C[C@](O)([C@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(OC(C)=O)CO[C@H]4C[C@@H](O)[C@]3(C)[C@@H]1O)C2(C)C 2060990672 WPPPFZJNKLMYBW-YCIQFRFDSA-N 630.687 2.015 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OC)c(OC)c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C 6546951 PBVGYLJOVSVCDO-QFIPXVFZSA-N 555.613 2.217 0 40 KEAB COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)cc1 8690344 NFFQMUTVGMTGIX-WNCULLNHSA-N 578.647 2.300 0 40 KEAB CC(C)OCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1Cl 10386288 CDKHZSXYLVYKKA-AWEZNQCLSA-N 500.383 2.397 0 40 KEAB CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1cc(C)ccc1OC 20031114 SUUOXFXDDCHMEQ-UHFFFAOYSA-N 509.650 2.115 0 40 KEAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)Oc2ccccc21 26112734 KEKVCSJFBQLYKH-SFHVURJKSA-N 508.603 2.500 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@@H](O)[C@H]1O 257610121 WQMLFJWIKARBFW-FOAVNFMNSA-N 520.663 2.456 0 40 KEAB biogenic,in-vitro CS(=O)(=O)NCCC1CCN(C(=O)CN2CCC3(CCCCc4ccccc4OCCNC3=O)CC2)CC1 643558821 SGWJTFGIPJRXBO-UHFFFAOYSA-N 548.750 2.168 0 40 KEAB CC(=O)C[C@]12CCC(C)=CC[C@]13CC[C@@]2(C)[C@](C)(/C=C/C=C(\C)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)OC3=O 2061000752 PONQZACKSXPFBQ-XOYDQQQOSA-N 562.656 2.030 0 40 KEAB O=C1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)c2ccccc2N1 8876588 CDTRAUQXAAZAQN-VXKWHMMOSA-N 502.527 2.284 0 40 KEAB biogenic COc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(OC)c(C)cc3OC)CC2)c(OC)cc1C 16780557 OXBHEJCMZDKVSY-UHFFFAOYSA-N 528.649 2.423 0 40 KEAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N([C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1 103030132 FEAAOQNZFFFICO-IBGZPJMESA-N 546.580 2.465 0 40 KEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)C1=O 103123669 DYZXAMKEEZTRLJ-VWLOTQADSA-N 528.587 2.386 0 40 KEAB COc1ccccc1OCCNC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 223773260 DKRXYPCRTHYMSE-UHFFFAOYSA-N 504.346 2.261 0 40 KEAB Cc1ccccc1CN1CCC(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 224478224 UFANDYGZIMUUSQ-UHFFFAOYSA-N 501.649 2.423 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCCN3CCCC3=O)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1 585281882 RXFYAISTNJOZNL-WJOKGBTCSA-N 569.699 2.496 0 40 KEAB CO[C@H]1CN(C(C)=O)CCCN(Cc2ccc(OCC3(O)CCCCC3)cc2)CCCCOC[C@H](O)[C@@H]1O 643585074 PAMORAPFKXGMES-KCHLEUMXSA-N 536.710 2.348 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1 19818654 SOJNJPPIEVWSDF-NRFANRHFSA-N 521.515 2.322 0 40 KEAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 20032834 MMTRNNADKMEZLC-UHFFFAOYSA-N 509.650 2.115 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2cc(C)ccc2C)CC1 20084269 VJHOMCKGKPFWJY-RUZDIDTESA-N 517.590 2.418 0 40 KEAB CCOc1ccc(CCNC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1OCC 38150090 CXPGXPKYVWQIAF-UHFFFAOYSA-N 538.594 2.160 0 40 KEAB COc1cc(F)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(OC)c(OC)cc3F)CC2)cc1OC 98009029 TWDQAGMHXUCVIE-UHFFFAOYSA-N 536.575 2.085 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)c(OC)c1 100274930 QLYZSKSWVJFALG-BTYIYWSLSA-N 543.602 2.426 0 40 KEAB CO[C@@]1(N)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CS[C@H]21 100620396 QGXKMJVEULWQSB-UPVQGACJSA-N 524.628 2.106 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409034500 HHIOIICFJCZJBD-AMXTYKKZSA-N 580.615 2.478 0 40 KEAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 3279822 CKOWCPYUDWWZEC-MUUNZHRXSA-N 532.622 2.152 0 40 KEAB COc1cc(OC)cc([C@H](CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccccc2C)c1 3914184 BUHVIAUBTBOHAG-UXSDZZPMSA-N 521.574 2.007 0 40 KEAB in-vitro COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)Cc3ccc4c(c3)OCO4)n2)cc1OC 6133962 MHEZRZQRZYVYOD-UHFFFAOYSA-N 524.578 2.277 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2F)CC1)OCO3 6445580 XATHPEPYFMACGT-BVZFJXPGSA-N 533.564 2.473 0 40 KEAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 20007227 RIQAPHCBGOOUGC-FQEVSTJZSA-N 503.602 2.179 0 40 KEAB COCCN(C(=O)COC(=O)CSc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38152208 CBINGNSQMXGOAO-UHFFFAOYSA-N 533.006 2.135 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 59838408 PVVCMVDYWQIDJJ-FQEVSTJZSA-N 538.047 2.202 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@@H]1c1cnn(C)c1C 102001978 TUDBPIPZZMQEMA-QJKHOBJASA-N 534.379 2.055 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 224036874 CFRIMIPHSSRIBH-SFHVURJKSA-N 519.620 2.176 0 40 KEAB COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(C5Cc6ccccc6C5)C[C@H]4C(=O)NC[C@H]2O3)nn1 253398140 GOWSOHCBVUXAKD-CLWAWUJFSA-N 600.720 2.406 0 40 KEAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCC(N)=O 409204852 KMQXRRQDTRTZFJ-JMIUGGIZSA-N 513.528 2.396 0 40 KEAB Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCc3cn(C)nc3C)CCO2)ccc1Cl 585283168 CELLJPFCMRYPJP-MHZLTWQESA-N 532.085 2.464 0 40 KEAB COc1ccc(OCCN(C)C(=O)[C@@H]2CCC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643579962 HPULRPCYIBMOPR-IZZNHLLZSA-N 582.698 2.493 0 40 KEAB Cc1ccnc(SCCn2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1 9392066 ZOVSXSFVDXKQGP-UHFFFAOYSA-N 527.054 2.304 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1 14356661 UVXIACNQRLBZEV-INIZCTEOSA-N 507.663 2.284 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 17611607 WBWWGRHZICKQGZ-KOBRXDOPSA-N 515.713 2.368 0 40 KEAB in-vitro Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 19940611 ZTKFDCUFDOEFFX-CVDCTZTESA-N 503.563 2.142 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70706884 RRGZMTUXFLOCLF-SZOBAZRNSA-N 554.669 2.327 0 40 KEAB biogenic Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)n4cc(Br)c(C)n4)[C@H]3SC2)s1 100991929 IZZUBCBIORHPDT-YYDSMBMDSA-N 559.493 2.206 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cc1OC 102350215 RQUGBARKBLTGCT-UHFFFAOYSA-N 545.618 2.481 0 40 KEAB CCOC(=O)c1c(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)sc(C)c1C 103096898 MIJBAVWKAIIYRP-UHFFFAOYSA-N 528.580 2.497 0 40 KEAB COC(=O)[C@]12C=C[C@@H](CC1)[C@H]1C(=O)N(c3cccc(N4C(=O)[C@@H]5[C@H](C4=O)[C@]4(C(=O)OC)C=C[C@H]5CC4)c3)C(=O)[C@H]12 247807583 AQJQBGWZFOYOQM-DWXSTYDMSA-N 544.560 2.176 0 40 KEAB CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 253389585 RROGHRHLBLVQSG-QLMMLFAZSA-N 766.966 2.494 0 40 KEAB biogenic,in-vitro COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN2CCN(C(C)C)CC2)c1 643550322 CTBMKKYTNQZRSH-FWLJPKAVSA-N 634.859 2.259 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccccc1OC 8399822 XBHXKOIZLLIIKT-MWKGPOOMSA-N 522.627 2.152 0 40 KEAB CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)C45CC6CC(CC(C6)C4)C5)CC3)nc21 9019539 XPZUDUQAEAHUKG-UHFFFAOYSA-N 524.647 2.249 0 40 KEAB CCN1CCN([C@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)c2nnnn2Cc2ccc(F)cc2)CC1 19527925 CRSYTFSLXLBISB-XMMPIXPASA-N 507.570 2.446 0 40 KEAB CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](CCSC)C(=O)O 70707125 WYRCEMYEJANPMA-BDTNDASRSA-N 572.709 2.034 0 40 KEAB biogenic C[C@H](O)CN1CCC(CN(CC(=O)NCc2ccccc2F)CC(=O)NCc2ccccc2F)CC1 96422179 DKGSOPVLDNOOMM-FQEVSTJZSA-N 502.606 2.292 0 40 KEAB CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 98045782 WXTVBKVASUCGBD-VWLOTQADSA-N 558.657 2.019 0 40 KEAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCC(=O)NCC(=O)NCC(=O)NC[C@H]4CC[C@H](C(=O)O)CC4)c(C)c3cc2c1C 101376524 ZUEGKDFUXXHCLZ-OYRHEFFESA-N 624.691 2.061 0 40 KEAB COc1ccc(OCC(=O)c2ccc(O[C@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)cc2O)cc1 135956297 OSPUWYWJNWIARF-DKHHQXCASA-N 604.561 2.124 0 40 KEAB Cc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1S(=O)(=O)N1CCN(C)CC1 225485661 SNMUMMNODQXRBT-UHFFFAOYSA-N 571.106 2.489 0 40 KEAB COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1 408655149 LAKHZYDKSQPEDC-AWEZNQCLSA-N 509.437 2.398 0 40 KEAB O=C(C[C@@]1(COc2ccc(F)cc2)CN(C(=O)CCn2ncc3ccccc32)CCO1)N1CCOCC1 585283700 GVAMRNORNWCMJG-MHZLTWQESA-N 510.566 2.491 0 40 KEAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCCNC1=O 643565090 AZNLNGUWKQBKSW-URXFXBBRSA-N 545.036 2.063 0 40 KEAB CC(C)(C)OC(=O)N1CCN(C(=O)CCOCCCOCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 2060997768 BVVIOPMFPMVJET-UHFFFAOYSA-N 556.701 2.349 0 40 KEAB CN(c1ccc(C2=NCCN2)cc1)S(=O)(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C3=NCCN3)cc2)c1 1668432 BZGVSYLKCQUHOP-UHFFFAOYSA-N 552.682 2.036 0 40 KEAB COc1cc(CN2C(=O)N[C@](NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)C2=O)cc(OC)c1 1864824 DKTCDCXTEQLCLH-QFIPXVFZSA-N 527.452 2.470 0 40 KEAB CCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)c2ccccc21 2059881 UGIKAUDHAOJHNE-RKKARLDVSA-N 517.563 2.070 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1 6546735 PTKKQVWDIQFTOK-OAQYLSRUSA-N 525.587 2.214 0 40 KEAB CCCCCN(C(=O)CCC(=O)OCC(=O)N(C)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O 12892573 ZIJLKZYKNRDEKG-UHFFFAOYSA-N 515.611 2.429 0 40 KEAB O=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 70707487 VTLZKMQTFIMTTR-GSDHBNRESA-N 554.603 2.277 0 40 KEAB biogenic COCCCN(C(=O)CCCn1cnc2c(C)cccc2c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 102854430 BKSZQMJZEFYGFS-UHFFFAOYSA-N 532.601 2.035 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 222757145 LCCKEYLBPBPGFI-RUZDIDTESA-N 523.611 2.469 0 40 KEAB COc1ccc(OC)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1 224436283 KNUMSEYVRKAFQW-UHFFFAOYSA-N 619.718 2.115 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc5ccccc5c4)C3=O)CC2)cc1 13140985 DCKLRECTEOPBSV-MHZLTWQESA-N 520.611 2.448 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)c2cccc(S(=O)(=O)N(CC)c3ccccc3)c2)c(=O)[nH]c1=O 38140421 OAXCTXGULQMTGS-UHFFFAOYSA-N 543.646 2.427 0 40 KEAB O=C(CN1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 257216560 CVBRYZJKCDNOPO-AHKZPQOWSA-N 529.659 2.486 0 40 KEAB COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCCO)cc1 260719629 KQSKTEGDYIXYJO-HHHXNRCGSA-N 553.681 2.205 0 40 KEAB Cc1nonc1COc1ccc(C(=O)N2CCC3(CCCCOC[C@H](C)NC(=O)[C@H](C)NC3=O)CC2)cc1 643564200 WGTPKOJVAACZCQ-ICSRJNTNSA-N 527.622 2.389 0 40 KEAB COc1ccccc1OCCN(C)C(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)CCOc2ccccc2C(=O)N1 643580148 LOLJWSXIJGBHPL-SVBPBHIXSA-N 632.714 2.395 0 40 KEAB CC(C)C[C@@H](N)COc1ccc(Cl)cc1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O)C(C)C 2037879568 DUCUJJHXMFVRNC-PBEJRMEISA-N 508.019 2.382 0 40 KEAB COc1ccc(Br)c(C(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)c(=O)n3C)c1 9561429 AMJXNHZTFBXUMT-UHFFFAOYSA-N 503.353 2.097 0 40 KEAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1 26117906 RYKXMOYVIIKNQN-UHFFFAOYSA-N 510.590 2.486 0 40 KEAB COc1ccc(NC(=O)Cn2c3cc(=O)n(N4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)cc1 97947946 XSCYDXHDJWAYIK-UHFFFAOYSA-N 546.609 2.488 0 40 KEAB CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(C(=O)OC)cc3)N(CCN3CCOCC3)C2=S)cc1 97995510 DRXHRHJBGCWFFR-HSZRJFAPSA-N 568.652 2.313 0 40 KEAB CCOC(=O)CNc1nn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=O 150531149 YIBGABDTNWKKJI-ONJQCEQUSA-N 658.620 2.112 0 40 KEAB CCc1cccc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)cc1 408583145 ZBIWZJGUIYOVHA-QFIPXVFZSA-N 508.619 2.376 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1cccc(OC)c1 408837783 NLNCKPRXPJUURN-SNXNUMJZSA-N 508.552 2.270 0 40 KEAB C[C@@]1(N(CCNS(=O)(=O)c2cccc3cccnc23)S(=O)(=O)c2cccc3cccnc23)CCS(=O)(=O)C1 575426360 RWVJZHRVYTYTJZ-RUZDIDTESA-N 574.706 2.329 0 40 KEAB CC(C)CC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCN(C)C)NC(=O)CC[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@@H]2CCCN2C1=O 643580444 JXFRJDAUTIKUKT-AMEOFWRWSA-N 700.878 2.067 0 40 KEAB CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](C(=O)N2CCN(C)CC2)NC(=O)c2ccccc2OCCCCCCNC1=O 1615161913 YDNJMVQCTQBYND-CHQNGUEUSA-N 676.859 2.277 0 40 KEAB O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 3296714 RXGAGHVGXZJVRX-GOSISDBHSA-N 526.398 2.403 0 40 KEAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(C)n3Cc3ccccc3)CC2)cc1 14093368 MSLHNPYZDXYWOA-UHFFFAOYSA-N 513.645 2.463 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 59838817 GRJKGFSSFNYZPN-LJQANCHMSA-N 572.105 2.087 0 40 KEAB CC[C@H](C)NC(=O)Cn1nc2n(Cc3ccccc3)c(=O)c3ccc(C(=O)NCC(C)C)cc3n2c1=O 64581281 PXNIGGPNOOXZQW-SFHVURJKSA-N 504.591 2.160 0 40 KEAB CCCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1 102920246 AFVULAKCGBBADE-UHFFFAOYSA-N 547.678 2.182 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 409262773 HBRKIDNWZIMACW-AREMUKBSSA-N 620.775 2.420 0 40 KEAB COc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1S(=O)(=O)N1CCCC[C@H]1C 3436792 KBXKACSXTPDFAH-MRXNPFEDSA-N 501.561 2.400 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc(-c2ccccc2)cn1N 12639924 YFXDSWXPCHYURW-UHFFFAOYSA-N 503.606 2.024 0 40 KEAB CCN(C(=O)COC(=O)/C=C/c1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32666613 YAZJFDGLVZCKJH-OUKQBFOZSA-N 505.556 2.386 0 40 KEAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 102874494 MQDIEVHKFIBZCO-UHFFFAOYSA-N 528.450 2.136 0 40 KEAB CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(I)cc1 260907916 UBEXHBKFDOAHEF-HNNXBMFYSA-N 502.330 2.013 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409162940 JSFLZGHKWPOKPY-STEKTNRRSA-N 607.685 2.053 0 40 KEAB Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)COc2ccccc2C(=O)N1 643572199 SCOJRTMFYPTCSJ-MHDHXZMLSA-N 701.869 2.384 0 40 KEAB O=C1C[C@@H](C(=O)NCCCn2ccnc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCCC2)N1 643576006 CIQQRHPPUIMXRM-VMPREFPWSA-N 671.799 2.023 0 40 KEAB CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CCC(=O)N(Cc2ccccc2)CC(=O)N1 643577874 HUDSJKCYFHWODI-RRPNLBNLSA-N 586.693 2.276 0 40 KEAB CN1CCC(N2CC(=O)N3CC[C@@H](CC(=O)N4CCN(C)CC4)[C@@H](C=CCOc4ccccc4C2)C3)CC1 958317826 QFBQIGWKCXLDAK-DQEYMECFSA-N 523.722 2.160 0 40 KEAB CC1(C)CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 2037901731 RROGHRHLBLVQSG-JBDHMRBYSA-N 766.966 2.494 0 40 KEAB COc1ccc(OC[C@H](O)Cn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 9308690 AMHFEUXNTMLKEI-OAQYLSRUSA-N 519.602 2.331 0 40 KEAB COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)CC2=O)c1 9525903 HRBFTCSOOVVAPG-CQSZACIVSA-N 505.911 2.041 0 40 KEAB CSCC[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCCN1CCOCC1 43732466 YKVGZWKJOPEVEC-MZLICYQSSA-N 520.721 2.111 0 40 KEAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)cc1OC 60028642 IRPRBICVKNBFSD-UHFFFAOYSA-N 549.631 2.316 0 40 KEAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCO2 408703436 FWRRHBJRUMZEAR-UHFFFAOYSA-N 509.606 2.385 0 40 KEAB COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc(OC)c1OC 2723546 FMWPPHFIRFPCNT-UHFFFAOYSA-N 504.521 2.036 0 40 KEAB CCOC(=O)c1c(NC(=O)COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)sc2c1CC[C@H](C)C2 3300087 OAHUJGXZXQUEPY-ZDUSSCGKSA-N 507.590 2.029 0 40 KEAB COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(CCn3c(=S)[nH]c4cc(C(=O)OC)ccc4c3=O)CC2)c1 4767842 CZIVVNFQPNJFSO-UHFFFAOYSA-N 599.691 2.433 0 40 KEAB CCOC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3s2)CC1 9374081 RROKOKOXDLNAJE-UHFFFAOYSA-N 515.621 2.104 0 40 KEAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(CCCN2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1 19941109 ARQAOWCKSUSEFN-JOCHJYFZSA-N 528.679 2.097 0 40 KEAB COCCN(C(=O)C[C@H](NC(C)=O)c1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32937492 XQXAWUALUOQCAU-FQEVSTJZSA-N 513.982 2.067 0 40 KEAB CCOC(=O)N1CCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 38140787 HEWUBRCCQWEVBF-UHFFFAOYSA-N 536.434 2.238 0 40 KEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(CN(C)S(C)(=O)=O)cc3)cc2)n1 59924207 MNEDDFQYWLNDIP-UHFFFAOYSA-N 533.632 2.303 0 40 KEAB CCN(C(=O)CSc1nnc2n(Cc3ccccc3OC)c(=O)c3ccccc3n12)[C@H]1CCS(=O)(=O)C1 103060404 ATNZQPBOVVTSOM-SFHVURJKSA-N 541.655 2.229 0 40 KEAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCCOC)ccc1Cl 103113311 LZEIVWBQYTWLCO-UHFFFAOYSA-N 590.076 2.438 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)o1 245229674 CXAOHDHPDYAOPF-ZFGGDYGUSA-N 526.569 2.425 0 40 KEAB CC/C(C)=C/CC[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)[C@H]4C(C)(C)[C@@H](O)CC[C@@]4(C)[C@H]3C[C@@H](O)[C@H]12 1529051581 QOVKKEKBURQILF-NAXCJHFMSA-N 785.025 2.147 0 40 KEAB COC[C@](C)(COP(=O)(N1CCOCC1)N1CCOCC1)C[C@@H](C)COP(=O)(N1CCOCC1)N1CCOCC1 4429753 DLRXYJYQUONZDQ-JWQCQUIFSA-N 612.642 2.244 0 40 KEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(F)cc1 30860160 SOCYXHQGPJGLGO-UHFFFAOYSA-N 507.569 2.273 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 222931722 DIMAPYVLRBVXQE-NRFANRHFSA-N 547.674 2.284 0 40 KEAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C(=O)NCc2ccncc2)c2ccccc2)cc1 223538917 QWNFESVWQRXHBE-RUZDIDTESA-N 510.616 2.368 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409050692 YOKLUCIMOJULQN-NIQJEMAJSA-N 537.594 2.144 0 40 KEAB CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CN2CCN(C(C)C)CC2)CCCCOC[C@@H](O)[C@H]1O 643551760 LHRJITXJHVTRFC-GSWOMDGUSA-N 608.796 2.084 0 40 KEAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1 6074140 PLVFFOYZFRNHAM-UHFFFAOYSA-N 515.617 2.436 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1 20031592 JOABHDVBTIGCBV-QHCPKHFHSA-N 501.630 2.143 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1N 100290958 KXYCGZAGVRQWNW-XOBRGWDASA-N 543.627 2.340 0 40 KEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)sc2cc(S(N)(=O)=O)ccc21 100877690 VCSYBAQIJXTASF-SGEDCAFJSA-N 602.716 2.475 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2cc(Cl)ccc2OC)cc1OC 408630650 WJPKGERKKRMJNT-UHFFFAOYSA-N 542.054 2.400 0 40 KEAB CCOc1cc(CN2CCC(N=c3nc[nH]c4sc(C(=O)N5CCOCC5)c(C)c34)CC2)ccc1OCC(N)=O 585292295 GVCSSHXDJGSPOK-UHFFFAOYSA-N 568.700 2.233 0 40 KEAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)CN3CCC(C(N)=O)CC3)CCO2)C1=O 643557241 UQEGIBMBPIBYDB-GDLZYMKVSA-N 528.694 2.215 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 1299015 ONOGAWZGBVJMPQ-WLJFKGHSSA-N 508.552 2.351 0 40 KEAB Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N23)[nH]n1 2968609 OYFBNSRCWVQCDM-SFHVURJKSA-N 545.581 2.484 0 40 KEAB COCCN(C(=O)COC(=O)c1ccccc1NCc1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38140772 HNPKCORVJZYKOW-UHFFFAOYSA-N 547.568 2.209 0 40 KEAB O=C(OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 38152161 SRPSJMLVXZRXTM-MJTJJFPGSA-N 557.515 2.137 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C 85867194 GUCQNCIRWXJSOI-FTBPSBKWSA-N 707.822 2.267 0 40 KEAB biogenic Cn1c(N)c(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc4c(c2)OCO4)CC3)c(=O)n(C)c1=O 97979718 BOCAVRAZOZAJIT-LFIBNONCSA-N 540.532 2.470 0 40 KEAB Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3Br)CC2)c(=O)n(-c2ccccc2)n1C 97981597 AQVBWIQBTTUHAI-UHFFFAOYSA-N 548.463 2.192 0 40 KEAB NS(=O)(=O)c1ccc(CNC(=O)c2cccc(NC(=O)C[C@@H]3SC(N4CCCCC4)=NC3=O)c2)cc1 102911286 LODCTXIQWMVIEX-FQEVSTJZSA-N 529.644 2.077 0 40 KEAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)CC1 222622406 PGAOZSYIAGNSND-UHFFFAOYSA-N 513.613 2.432 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 224233348 WXWKFPZTNXQRAH-RUZDIDTESA-N 559.666 2.230 0 40 KEAB C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224252966 UFBQUDZHCJCRRS-HNNXBMFYSA-N 537.582 2.305 0 40 KEAB O=c1sc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2n1Cc1ccccc1 224501472 INFXNYOZYRUGJP-UHFFFAOYSA-N 589.717 2.490 0 40 KEAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 226046457 VRUPYCGDBPROQJ-UHFFFAOYSA-N 523.652 2.370 0 40 KEAB CC1(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)C=C4[C@H]5C[C@](C)(C(=O)O)CC[C@@]5(C)CC[C@]43C)[C@]2(C)CC[C@H]1O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O 253497150 LPLVUJXQOOQHMX-OQHFGVBFSA-N 822.942 2.246 0 40 KEAB CCOC(=O)Cc1n[nH]c(=NC(=O)Nc2ccc(C)c(NC(=O)N=c3[nH]nc(CC(=O)OCC)s3)c2)s1 408718553 XYCAFSXFEHOTHT-UHFFFAOYSA-N 548.607 2.041 0 40 KEAB CC[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(OC)cc1)C(=O)C[S@@](=O)CC(=O)Nc1ccc(OC)cc1 6631854 NBTPOBRBJACTDU-WSBXVPRRSA-N 559.685 2.494 0 40 KEAB CCOC(=O)N[C@](Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)(C(=O)OCC)C(F)(F)F 8445383 AIRYEMADROODMT-GOSISDBHSA-N 521.474 2.266 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@@H](NC(=O)CCCOc2ccc(Cl)cc2C)[C@H](OC(C)=O)[C@@H]1OC(C)=O 97983229 LBSRZJUTWXANAX-JRBASJLZSA-N 557.980 2.007 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1N 100290962 KXYCGZAGVRQWNW-VBKZILBWSA-N 543.627 2.340 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(N)n(Cc2ccccc2)c1=O 103073714 JOHVIPLDTYNQGI-UHFFFAOYSA-N 520.325 2.160 0 40 KEAB CCc1nc2ccccc2c(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)c1C 103089963 LOFSITHDKBUECH-UHFFFAOYSA-N 544.564 2.272 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 215941124 XCEYLESMADSLJI-UHFFFAOYSA-N 522.630 2.358 0 40 KEAB C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222723591 UGCJVWMFQUBDEF-XMMPIXPASA-N 556.729 2.269 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 224240527 VUUSUVZYQHIDOA-UHFFFAOYSA-N 544.095 2.327 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225700545 ONVDFYBWTYQJPL-MRXNPFEDSA-N 511.622 2.282 0 40 KEAB Cn1c(=O)n(C)c2cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4N4CCOCC4)C3=O)ccc21 1102766 OXTABWYEJOHXPJ-KGENOOAVSA-N 507.572 2.389 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCc4ccco4)C(=O)N23)cc1 33357796 CWCANHLNYOXNDU-QHCPKHFHSA-N 608.702 2.074 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1OC 59838460 VSVPKPCJLSRHLV-UHFFFAOYSA-N 551.687 2.205 0 40 KEAB NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](N)CCC(=O)OCc1ccccc1 150381723 AWIRJCQDVRTPRD-OIFRRMEBSA-N 674.751 2.339 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222776441 XNSZEQCOSIQHRH-GOSISDBHSA-N 524.039 2.293 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224207934 CBVAZDOVAANPJB-NRFANRHFSA-N 503.621 2.476 0 40 KEAB CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCCC4)C[C@H]3C(=O)NC[C@H]1O2 253402025 NXLZNNYXXFPFKD-GEMTWJNPSA-N 541.693 2.278 0 40 KEAB CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 408595323 HBTORHMLMTUULB-IBGZPJMESA-N 513.576 2.287 0 40 KEAB O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 12923183 RTASTHNEIIUBGO-UHFFFAOYSA-N 506.378 2.249 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 101969377 BNGZCOVORSGMMU-ZANOAUCBSA-N 546.525 2.134 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224577401 RPUUTUPMXWJHSY-HXUWFJFHSA-N 505.593 2.133 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@@H](CC[C@@]4(C)[C@@H]3CC=C3[C@@H]5[C@H](C)[C@H](C)CC[C@@]5(C(=O)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]34C(=O)O)C2(C)C)[C@@H](O)[C@@H](O)[C@@H]1O 253500550 AQLCKWUMMOZIEY-JYJTXEGFSA-N 794.976 2.265 0 40 KEAB biogenic,in-vitro COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)N5CCOCC5)c(OC)c4)c(=O)n32)cc1 409165244 VEHILLCGXXPVQM-RGDUZTMSSA-N 621.712 2.442 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3)c(OC)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 585273717 DNSKUNTVNQBTCP-NDEPHWFRSA-N 560.598 2.350 0 40 KEAB O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C(=O)C1CCOCC1)CC2=O)NCCN1CCCC1 958317753 KBZGUWWCEIKDQF-UIOOFZCWSA-N 552.716 2.457 0 40 KEAB CCc1cc2c(=O)n(CCc3ccc(OC)c(OC)c3)c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc2s1 3367384 AOXSSQFRURWYLG-UHFFFAOYSA-N 571.681 2.235 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)CC2)cc1 13140986 DCKLRECTEOPBSV-HHHXNRCGSA-N 520.611 2.448 0 40 KEAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 32970874 MWHYVQZWSHKMJU-QFIPXVFZSA-N 512.003 2.303 0 40 KEAB CC(C)CNC(=O)c1ccc2c(=O)n(Cc3ccccc3)c3nn(CC(=O)NC(C)(C)C)c(=O)n3c2c1 64581284 SCNZVBOCSWGAGT-UHFFFAOYSA-N 504.591 2.160 0 40 KEAB CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]1OC(=O)c1ccccc1 94307134 BULYHPSCLBKULD-HJWMYVKQSA-N 716.689 2.166 0 40 KEAB in-vitro CC(C)CN(C(=O)COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 103477614 XWTLXQNAHYMVTP-MPIQECJBSA-N 524.618 2.031 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 224217623 VRNQJUCSHVDPLX-UHFFFAOYSA-N 535.619 2.467 0 40 KEAB CC(C)C[C@H]1C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccncc2)CC(=O)N1C 643574634 FXKRIRDLRBCTMW-LMERMFHRSA-N 670.811 2.380 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@H]3CC[C@@]12C 2060999625 RWXIFXNRCLMQCD-XLEHQWMWSA-N 785.025 2.149 0 40 KEAB COc1cc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4-c4ccc(N(C)C)cc4)CO[C@H]23)cc(OC)c1 4147575 CYHMTQBGEHKDFU-FNAHDJPLSA-N 511.608 2.117 0 40 KEAB biogenic,in-vitro CCN(CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NCCCN1CCOCC1 6193374 MMUUNVAGOMSMCR-UHFFFAOYSA-N 517.696 2.040 0 40 KEAB CCC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CN(c3ccccc3OC)CCN21 9087343 VJECCSRSUOUJGL-JOCHJYFZSA-N 505.575 2.332 0 40 KEAB CCCN(C(=O)CSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2o1)[C@@H]1CCS(=O)(=O)C1 24746432 PPRNCXYRSGDYQV-OAHLLOKOSA-N 503.668 2.376 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)cc3oc(=O)c4c(c23)CCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70686480 BRCZNBQDTXWHFH-VRCQNKPTSA-N 546.525 2.052 0 40 KEAB biogenic CC(=O)OC[C@@H](O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@]4(O)C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@H]3CC[C@]12C 118928070 KULCHMMNCMFNLY-MAZMFPKGSA-N 510.624 2.274 0 40 KEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl 408625864 UKUSADZSJNGQTB-INIZCTEOSA-N 510.012 2.479 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 409169868 RNLJBGBXKYSTCN-MFISQUFLSA-N 621.712 2.443 0 40 KEAB CO[C@@H]1CCCN(C(=O)[C@@H](NC(=O)[C@@H](C)N(C)C(=O)C(c2ccccc2)c2ccccc2)[C@H](C)O)[C@@H]1CCC(=O)N[C@@H](CCCCN)C(=O)O 643551836 KIPIWPJQOXPFAW-KSIROPEFSA-N 695.858 2.016 0 40 KEAB CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN(C)C)CCC(=O)NC2(CCCCC2)C(=O)N1 643572173 RIGJBDNTSDPINA-ZEQRLZLVSA-N 557.736 2.376 0 40 KEAB COCCN(C(=O)COC(=O)/C=C/c1cccc(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 16043936 IQJVZDKQGQOVEY-BQYQJAHWSA-N 512.485 2.030 0 40 KEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1F 20109081 ROGDLPZUZRXZKS-UHFFFAOYSA-N 513.598 2.335 0 40 KEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC)CC1 32738694 FVTGHQAKBDGURQ-INIZCTEOSA-N 504.561 2.453 0 40 KEAB CCOc1ccccc1NC(=O)Cn1c(=O)n(CCCc2nc(C)no2)c(=O)c2cc3c(cc21)OCO3 62728291 DQJPLBZGEMBAPK-UHFFFAOYSA-N 507.503 2.254 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 97944510 QLLQLDHUMNJZDL-VNSJDZJPSA-N 569.636 2.254 0 40 KEAB COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2nnc(C)s2)c1 150387517 IKTWYGKAQURCAX-UHFFFAOYSA-N 632.750 2.356 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 224569044 CJEJJYVYDTYVOF-OAQYLSRUSA-N 521.636 2.422 0 40 KEAB COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(=O)O)N[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1OC 2131481 FLMSSJXAFALJRO-WTLLVQHOSA-N 541.988 2.494 0 40 KEAB biogenic CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1 3419749 JJYRHTLASIDFER-UHFFFAOYSA-N 575.621 2.304 0 40 KEAB CN(C)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 13137895 UTMJATYDBRXQRX-UHFFFAOYSA-N 523.633 2.138 0 40 KEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc2c(c1)OCO2 22521967 UICJSWVRTWQXGH-UHFFFAOYSA-N 518.573 2.406 0 40 KEAB COc1ccc(CCN2C[C@H](C(=O)OCC(=O)N(C)CC(=O)Nc3ccccc3Cl)CC2=O)cc1OC 72121479 NPAJJHBORBNWRI-GOSISDBHSA-N 531.993 2.389 0 40 KEAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)cc1 102777617 IYAZKDMEEQACPS-QHCPKHFHSA-N 538.557 2.477 0 40 KEAB Cn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)nnc1-c1ccc(F)cc1 103064141 ZPGSWEXLHBBULT-UHFFFAOYSA-N 576.676 2.210 0 40 KEAB COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(C(=O)OC(C)(C)C)C[C@H]4C(=O)NC[C@H]2O3)nn1 253407342 VXQINDHUUYNFEN-FEVSWUGISA-N 584.674 2.174 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4C=CC4=C6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@@]45C)C3(C)C)O[C@@H](C(=O)O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 253500794 LXAMCLNOVGHDMD-OEVKKJJPSA-N 895.093 2.291 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409049756 ZZSRCGLDGPQNFP-FWEPQSEOSA-N 654.694 2.309 0 40 KEAB CC(C)c1nnc(CCC(=O)N2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)o1 585285659 RNVBUALQSGTAIY-VWLOTQADSA-N 504.559 2.190 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NC2CCOCC2)CC(=O)N[C@@H](CC(C)C)C1=O 643584745 JDMCZWFGHWAOMD-GOTSBHOMSA-N 530.666 2.022 0 40 KEAB CC(=O)N[C@H](C(=O)N1CC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3)C(C)C 2037829069 XUUUAUDRNRZKFN-XDZXDJIYSA-N 552.716 2.355 0 40 KEAB CCOC(=O)Nc1ccc(S(=O)(=O)N2CCCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 10119384 HYXMUDDGFQLHAP-UHFFFAOYSA-N 509.606 2.417 0 40 KEAB Cc1c(NC(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(=O)n(-c2ccccc2)n1C 12595456 AQBQWLFWGUFGHG-AKJBCIBTSA-N 511.579 2.103 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)n4nc(C(F)(F)F)cc4C)[C@@H]3SC2)s1 17356845 PQWDWFMGUGKHFZ-WLTZMBQTSA-N 548.594 2.462 0 40 KEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2)C[C@@H](C)O1 17576598 NSUYAXUBKNNXTB-CALCHBBNSA-N 531.616 2.328 0 40 KEAB CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCCCN3CCOCC3)cc2c1 19824548 WBPZLKHYOHYWSB-UHFFFAOYSA-N 531.723 2.048 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 20031811 ZOXYDGPXJGTGGS-QGZVFWFLSA-N 500.042 2.307 0 40 KEAB Cc1noc(Cn2c(=O)c3cc4c(cc3n(CC(=O)Nc3ccccc3C(F)(F)F)c2=O)OCO4)n1 20936790 TZMSONUCRTUWNR-UHFFFAOYSA-N 503.393 2.289 0 40 KEAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(SC)c(C(=O)N4CCOCC4)c3)n2)cc1OC 223611023 FJEKUYXGAGXJDG-UHFFFAOYSA-N 534.616 2.427 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 225672057 SPGCMMJFGKRXNI-SFHVURJKSA-N 521.636 2.420 0 40 KEAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCCN2CCOCC2)cc1Cl 408620858 MNCZPOTXHHISNY-UHFFFAOYSA-N 510.056 2.421 0 40 KEAB CC(=O)N[C@@H]1[C@H](Sc2nnc(-c3ccccc3)n2CC(C)C)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 504388893 KPCRYRRUYSHRNL-FCRIMTMASA-N 562.645 2.349 0 40 KEAB biogenic COc1ccc(C)cc1S(=O)(=O)Nc1ccc(N([C@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cc(C)ccc2OC)cc1 575421585 KCWJNAJLYRCMFK-FCHUYYIVSA-N 610.732 2.475 0 40 KEAB COCC(=O)N1C[C@H](CC(C)C)N(C(=O)/C=C/c2ccccc2F)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1 643551584 WSJBKXNRXKRXTM-IKEAHHRLSA-N 538.657 2.104 0 40 KEAB C[C@@H]1NC(=O)C2(CCCCc3ccccc3OCCNC1=O)CCN(Cc1cnc(N3CCOCC3)nc1)CC2 643561571 SKEQDIXPFYUSJR-QHCPKHFHSA-N 550.704 2.322 0 40 KEAB COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643568622 ATJCWKNAQQSAMM-DQEYMECFSA-N 568.671 2.151 0 40 KEAB COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4c(C)noc4C)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1 1534612825 LXSFMPXZSDQEPH-NZJKTDFXSA-N 542.658 2.183 0 40 KEAB COCOc1c(OC)c([C@@]2(O)C(=O)N(C)c3ccccc32)c(OCOC)c(OC)c1[C@@]1(O)C(=O)N(C)c2ccccc21 1612077 SFICRIOMCLWQMH-LOYHVIPDSA-N 580.590 2.094 0 40 KEAB O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Nc1cc2[nH]c(=O)[nH]c2cc1Br 13017147 SYCSPBZNDGCDKT-UHFFFAOYSA-N 504.265 2.411 0 40 KEAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 59838406 BWNKPVOQDSLSFI-AREMUKBSSA-N 587.720 2.231 0 40 KEAB COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4c(nc5ccccn5c4=O)N4CCCCC[C@@H]43)C2=O)cc1OC 97956230 YCKBZAOVMBGQBD-MNNSJKJDSA-N 545.596 2.324 0 40 KEAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 103055660 WIJBBSHRPUVJOY-SNTCSEMISA-N 513.012 2.174 0 40 KEAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1S(=O)(=O)N1CCOCC1 216233361 GWLDFGFPPCOOBC-UHFFFAOYSA-N 551.687 2.205 0 40 KEAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 223432327 UTTQVHSLIXAAHN-HXUWFJFHSA-N 507.609 2.032 0 40 KEAB Cc1nc(C)n(CCC(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)n1 585287128 UEQWSVHNAIZNQN-RUZDIDTESA-N 520.030 2.172 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 634993 QVIZXGXZWLSVSO-QCHPHUCNSA-N 538.578 2.359 0 40 KEAB O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)NCc1ccc2c(c1)OCO2 3361581 YKXLETHKPZHGBW-UHFFFAOYSA-N 526.523 2.461 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 8444609 PXIJZJVEVQATSG-GSOQPGDSSA-N 506.536 2.298 0 40 KEAB CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C 85867205 GUCQNCIRWXJSOI-TUSQITKMSA-N 707.822 2.267 0 40 KEAB biogenic CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCO)Cc1ccccc1 223154563 BBJCPWLPPSCJKH-SANMLTNESA-N 541.645 2.336 0 40 KEAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225691165 JDMKKXRTCLWSFV-IBGZPJMESA-N 503.621 2.208 0 40 KEAB CN(CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1 226065030 DUPULJBKHTZAJK-UHFFFAOYSA-N 544.493 2.213 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 408986784 PGYMIIKHBVWTRY-PGGUJSHWSA-N 508.552 2.270 0 40 KEAB O=C(CN1C(=O)S/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccc(Br)cc23)C1=O)N1CCOCC1 409140951 HGKPGXRSQLGIQI-JAIQZWGSSA-N 577.457 2.158 0 40 KEAB COc1ccc(CCCNC(=O)[C@@H]2CC(=O)NC3(CCCC3)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1OC 643573050 OMKQJGZGUAATHA-VUYJIWGASA-N 679.815 2.408 0 40 KEAB C[C@@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 2060999929 WBDDWIKJZNNKBQ-FXIYPASOSA-N 766.966 2.492 0 40 KEAB CCCCOC(=O)C1=C(N)n2c(s/c(=C\c3cccc(OC)c3)c2=O)=C(C(=O)OC)[C@H]1c1cccc(OC)c1 1890444 PFIYRZGCPDJZHP-GYZZIOIESA-N 550.633 2.348 0 40 KEAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1 6073787 USFZVBVQTPFSCN-UHFFFAOYSA-N 530.632 2.192 0 40 KEAB CC(=O)OC[C@H](CNC(=O)c1c(I)c(N)c(I)c(C(=O)O)c1I)OC(C)=O 94303118 ZNLVMZLCIIIYPV-ZETCQYMHSA-N 716.004 2.005 0 40 KEAB in-vitro Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)n4cc(Br)c(C)n4)[C@@H]3SC2)s1 102102669 IZZUBCBIORHPDT-WLTZMBQTSA-N 559.493 2.206 0 40 KEAB C[C@@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 118913345 WBWWGRHZICKQGZ-PDFHXCTRSA-N 515.713 2.368 0 40 KEAB N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(I)c2)c(I)c1)C(=O)O 150338767 RGHRJBIKIYUHEV-OBOXGAGSSA-N 952.996 2.123 0 40 KEAB endogenous,world Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O 224224705 ZEQVFJIHZPVAPC-INIZCTEOSA-N 518.057 2.248 0 40 KEAB COc1ccc(OC)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 224439664 VCSHEXOAPJVBAV-UHFFFAOYSA-N 633.745 2.424 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 409319960 ACSRCVRPIKOXOG-SANMLTNESA-N 618.759 2.174 0 40 KEAB O=S1(=O)CC[C@H](N(CCCN2CCOCC2)S(=O)(=O)c2cc(Br)ccc2Br)C1 575423814 QJCYIPHINNAPPN-HNNXBMFYSA-N 560.330 2.112 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCN3CCCC3)cc2)C[C@@](O)(COc2ccc(F)cc2)C1 585271500 ICACVNIMDPXCNF-NDEPHWFRSA-N 515.626 2.401 0 40 KEAB CC(=O)O[C@H](C(=O)Nc1ccc(F)cc1)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(F)cc1 8429880 HYVFXXNGZULTPQ-LWSSLDFYSA-N 564.494 2.269 0 40 KEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 38139411 BOTAWEQKQQMSQE-UHFFFAOYSA-N 522.933 2.056 0 40 KEAB COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 102876777 YTFWCDVGGITYHG-LJQANCHMSA-N 564.686 2.095 0 40 KEAB CCOC(=O)c1c(NC(=O)COC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)sc2c1CC[C@@H](C)C2 102984275 HXDHNQPQLPYTRI-OAHLLOKOSA-N 579.697 2.243 0 40 KEAB CCC[C@H](NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 196592613 BBAWEDCPNXPBQM-WYRHCKDKSA-N 679.863 2.446 0 40 KEAB COC(=O)[C@]12C=C[C@@H](CC1)[C@H]1C(=O)N(c3cccc(N4C(=O)[C@H]5[C@H]6C=C[C@](C(=O)OC)(CC6)[C@@H]5C4=O)c3)C(=O)[C@H]12 247807581 AQJQBGWZFOYOQM-BISSJLPISA-N 544.560 2.176 0 40 KEAB CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(Cl)c(F)c4)C[C@H]3C(=O)NC[C@H]1O2 253399553 JRFKUQNOAWMHGQ-CEKSUIHGSA-N 609.120 2.170 0 40 KEAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1 408657897 PTFTXPYTWMZBPR-INIZCTEOSA-N 532.347 2.301 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(C)cc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409115938 JXDZJSPVJVEGRL-RKKARLDVSA-N 519.579 2.446 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21 409387626 JFIRZQOVFFEYBU-IUKMQXEJSA-N 575.643 2.475 0 40 KEAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NO[C@@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]12 18158134 ZLARCTCFRSFFAA-CVDCTZTESA-N 530.493 2.491 0 40 KEAB biogenic CCOC(=O)c1c(NC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)sc2c1CCCC2 100084823 VBXTZRIJUOTCTN-UIFIKXQLSA-N 541.575 2.100 0 40 KEAB CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@H]2ON=C([C@@]3(C)NC(=O)N(c4ccccc4)N3)[C@@H]2C1=O 103045943 IACLZCGNMWEOQR-CKNLXJGOSA-N 523.859 2.295 0 40 KEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)c2nn(CCC)c(=O)c3ccccc23)c(=O)[nH]c1=O 103134498 IDRKLHHGCKVDEP-UHFFFAOYSA-N 540.621 2.275 0 40 KEAB CCOc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 224436131 RLSWGTVVKONESN-UHFFFAOYSA-N 603.719 2.497 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC 6546588 ZMJJFGFJUONPNH-HSZRJFAPSA-N 580.623 2.390 0 40 KEAB NC(=O)C1CCN(C(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3cc(Br)ccc32)CC1 9287174 ATGMESNRVDIWAO-UHFFFAOYSA-N 519.783 2.292 0 40 KEAB O=C(CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)Nc1ccc(N2CCOCC2)cc1 12484165 VWZJBNOWCXGOCS-UHFFFAOYSA-N 512.554 2.487 0 40 KEAB CCN(C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)[C@@H]1CCS(=O)(=O)C1 17466443 FVUUVWGUYVREEU-VZOQVYJPSA-N 532.640 2.030 0 40 KEAB COc1cc(OC)cc(C(=O)NCCCN2CCN(CCCNC(=O)c3cc(OC)cc(OC)c3)CC2)c1 19832084 JBWOXAWFZYIXNQ-UHFFFAOYSA-N 528.650 2.279 0 40 KEAB Cc1ccc(OCCCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 32971993 QNSQHYGVQPFGKF-UHFFFAOYSA-N 501.628 2.390 0 40 KEAB Cc1ccnc(SCCCn2c(N3CCN(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 56918669 XVVGPFYZWPIVOB-UHFFFAOYSA-N 506.636 2.026 0 40 KEAB COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc(OC)c1OC 103026243 RJXPIMPXXVRHHA-KRWDZBQOSA-N 577.612 2.227 0 40 KEAB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCC(C)(C)[C@@H](O)C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 106362050 WGDPAPIDNOMNEH-LVRNLFTQSA-N 513.584 2.106 0 40 KEAB biogenic COc1ccc(OC)c(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1 260891026 WQUVIILILCLGND-LJQANCHMSA-N 569.702 2.228 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409105116 JFVBJLQEVRKWEL-GVMLUORFSA-N 575.691 2.311 0 40 KEAB COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N3CCC[C@@H]3C(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)cc1 643565346 XFGRQCGPTDPLDL-OUIFVKKZSA-N 580.682 2.293 0 40 KEAB COc1ccc(OCCCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643566059 VBCWCZDJISQJHL-LOSJGSFVSA-N 568.671 2.151 0 40 KEAB COc1cccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1 1615188851 CMWICLLBPWWMGI-NSOVKSMOSA-N 602.688 2.347 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccccn3)C2)cc1 4150082 ZAAOIZFEBLITSV-ZWKOTPCHSA-N 507.572 2.262 0 40 KEAB biogenic,in-vitro CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC 6546985 VEVPNYCMZZPSAC-NRFANRHFSA-N 559.576 2.048 0 40 KEAB COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F 6905131 QKEKECRMVPBPLZ-IBGZPJMESA-N 501.540 2.123 0 40 KEAB CN1CCN(C(=O)C[C@H]2CN(C(=O)CCn3ccnc3)CC[C@@H]2Oc2cccc(Br)c2)CC1 257283034 OWMUZQBIDKQPGC-UGKGYDQZSA-N 518.456 2.496 0 40 KEAB Cc1cccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1C 643550986 OVLPHEAMFNHABO-ZEQRLZLVSA-N 552.672 2.369 0 40 KEAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O)Nc1ccc(OC(F)(F)F)cc1 3255767 NWBIWOXFTVEJQY-UHFFFAOYSA-N 504.439 2.107 0 40 KEAB in-vitro,metabolite CCN(CC)CCNS(=O)(=O)c1ccc(CNCc2ccc(S(=O)(=O)NCCN(CC)CC)cc2)cc1 4416994 ZTARVNMQAOTYRE-UHFFFAOYSA-N 553.795 2.217 0 40 KEAB CCOC(=O)C1(C(=O)OCC)CCCN1C(=O)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1 8665845 GIRJVKVQEKAXEQ-LJQANCHMSA-N 535.594 2.294 0 40 KEAB CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NS(=O)(=O)c1ccc(C)cc1 12562191 BCZPQBCVYSPPKT-UHFFFAOYSA-N 510.638 2.373 0 40 KEAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1 20453687 QWIOZUOKIOXUGV-HNNXBMFYSA-N 505.578 2.079 0 40 KEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)n1 139679776 MUKGBWOQNVYZCJ-UHFFFAOYSA-N 536.611 2.285 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 224485269 BISJNTHCLZJMAF-HSZRJFAPSA-N 553.703 2.064 0 40 KEAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)Oc3ccc(C)cc32)cc1 260888330 LPLOQSRBZJHKRO-MUUNZHRXSA-N 631.729 2.176 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408833855 ZQMALTFLFICRRZ-MVQVQHCTSA-N 538.578 2.279 0 40 KEAB O=C(O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1I 409139753 BMUXHZWAGMDMSA-NTUHNPAUSA-N 658.208 2.254 0 40 KEAB COC(=O)C1=C(N)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1 2262100 MKMRCLPGQIRTNZ-ZFOVBUMHSA-N 517.390 2.467 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C 6546871 IICNCYFALHUYST-GOSISDBHSA-N 501.590 2.262 0 40 KEAB CCOC(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)cc1 16043995 XEZVFKUGYHZHMH-QFIPXVFZSA-N 517.604 2.277 0 40 KEAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 100886451 NRFDFJPCUYREJO-HUUCEWRRSA-N 502.818 2.318 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 139035330 SFHOCQSDTXNZSL-PGGUJSHWSA-N 508.552 2.270 0 40 KEAB O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 197127586 UFGUUZVZUIXKQZ-DEOSSOPVSA-N 501.539 2.453 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224867697 YRGJIFNIZQPFOA-KRWDZBQOSA-N 507.584 2.306 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccc4OC)CC3)C2)c1 408557251 FZOYPVQFTQFILI-LJQANCHMSA-N 503.621 2.462 0 40 KEAB O=C(O)COc1c(Br)cc(I)cc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O 409132235 ZQHSXBVBPPTLRH-AWNIVKPZSA-N 611.208 2.412 0 40 KEAB O=C1NC2(CCOc3cc(-c4ccc(F)cc4F)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1cncnc1)CC2 1548890258 NWRNNLUFDSKOKP-RDGATRHJSA-N 599.660 2.479 0 40 KEAB CC1(C)CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 2037901730 RROGHRHLBLVQSG-DBTAHKLGSA-N 766.966 2.494 0 40 KEAB O=C(CCc1nnc(SCC(=O)N2CCc3ccccc32)nc1O)OCC(=O)N1CCc2ccccc21 2659835 BSYUVFDFGNTBAN-UHFFFAOYSA-N 519.583 2.324 0 40 KEAB COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 4277802 WUTBQZAHFZITOM-UIOOFZCWSA-N 583.638 2.250 0 40 KEAB biogenic,in-vitro O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 8692258 YRKNTCTZCMJXTD-FQEVSTJZSA-N 514.025 2.153 0 40 KEAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 14095020 XBGOKFLTNQCANS-DEOSSOPVSA-N 500.577 2.276 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc5ccccc5c4)C3=O)CC2)cc1 38150088 OMSLDOPCAJMMBV-MHZLTWQESA-N 536.610 2.149 0 40 KEAB NS(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1 59838236 GEWTWAKFBRQEKG-NRFANRHFSA-N 552.472 2.303 0 40 KEAB COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 97951405 OFXVBSJPGKPWSK-UHFFFAOYSA-N 534.587 2.208 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccccc2C(=O)OC)C(C)C)c1 102778596 MFDRHMKTEINVCP-QHCPKHFHSA-N 547.630 2.440 0 40 KEAB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](c3ccc(O)cc3)N3CSC(=S)N(C(C)C)C3)[C@H]2SC1 104297940 RLLDJYRKFNTHPT-XAUMDUMWSA-N 522.674 2.151 0 40 KEAB CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC1=O 643567729 SWNARSAASBWPPN-BJKOFHAPSA-N 540.636 2.493 0 40 KEAB CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OCCNC1=O 643568107 KIANQLSPOOGBJN-LITSAYRRSA-N 640.826 2.026 0 40 KEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1C 16044016 TWPSAPNDAMUMDM-KRWDZBQOSA-N 516.547 2.483 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CC1 59838786 XJUMTMUQJKYICK-UHFFFAOYSA-N 530.068 2.316 0 40 KEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1 100876870 JTASOLBJNHLBLS-RFBIWTDZSA-N 588.689 2.480 0 40 KEAB COc1ccc(C(=O)OCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1S(=O)(=O)N1CCOCC1 103091004 ULFOWROMPDHLTR-UHFFFAOYSA-N 549.558 2.149 0 40 KEAB CC(=O)OC[C@@H](O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@]4(O)C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@H]3CC[C@]12C 118928066 KULCHMMNCMFNLY-STIOTDCNSA-N 510.624 2.274 0 40 KEAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224661682 LCUIDTBBASXKGK-KRWDZBQOSA-N 507.584 2.305 0 40 KEAB CN(CCOc1ccccc1)C(=O)[C@@H]1CC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1 643579050 ODCLZMPQVJGGOM-SXOMAYOGSA-N 572.662 2.291 0 40 KEAB CCn1c(SCC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)COC)C[C@@H]2CC(C)C)nnc1-c1cccs1 643912858 CEYPVXLNRZBDAA-IILZIBOQSA-N 641.857 2.384 0 40 KEAB CCc1nnc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)n2CC)s1 6860965 HEODSDOABDYINW-UHFFFAOYSA-N 536.709 2.046 0 40 KEAB O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCC1)Cc1cccs1)Nc1ccc2c(c1)OCO2 12709181 IQIRHLQEGUHYIC-UMSFTDKQSA-N 505.618 2.252 0 40 KEAB Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 16010363 VAAIETQDVNBDGV-NARGUJOISA-N 501.370 2.488 0 40 KEAB CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(NC(C)=O)cc2)CC1 33000549 WKAQNHSTGZJCOB-UHFFFAOYSA-N 515.636 2.060 0 40 KEAB COc1cc(C(=O)NC[C@H]2OCCc3ccccc32)ccc1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 79183239 MDJQNVLLOYHRIM-VZEPEYMKSA-N 643.642 2.201 0 40 KEAB biogenic CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222568632 FVCDZVPSQBPADX-QFIPXVFZSA-N 509.559 2.356 0 40 KEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1OC 225540238 KAHJBGIZIQFDNG-UHFFFAOYSA-N 525.381 2.453 0 40 KEAB CN1N=C2CCN(/C([O])=C(/COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O 1560406197 OGUYTNVOIHEPHG-MUUNZHRXSA-N 504.611 2.419 0 40 KEAB COCCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC 6905079 MRTBPJZKXDUFLR-IBGZPJMESA-N 501.540 2.123 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 12497373 PTZVGDFXOUYSCG-UHFFFAOYSA-N 508.603 2.217 0 40 KEAB CCN1CCN([C@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)c2nnnn2Cc2ccc(OC)cc2)CC1 20080715 RYGQYUSKRBZQID-RUZDIDTESA-N 519.606 2.316 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]54)[C@H]23)cc(OC)c1O 245225806 QCROTELSISKDDD-VNYJYFMQSA-N 546.623 2.497 0 40 KEAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl 260886126 FGDDRLFKADIIFF-GOSISDBHSA-N 560.094 2.019 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OCC 408737589 DPYPYBKIBYYHCD-WDONWYDGSA-N 551.621 2.070 0 40 KEAB O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C(=O)C1CCOCC1)CC2=O)NCCN1CCCC1 514287333 KBZGUWWCEIKDQF-IXOFIEAJSA-N 552.716 2.457 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN(C)C)CCC(=O)N[C@@H](c2ccccc2)C(=O)N(C)CC(=O)N1 643571819 KGONGDRCPJGUIP-XKVYUHEQSA-N 650.821 2.262 0 40 KEAB Cc1cc(NC(=O)CN2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)nn1C 1615129888 XFASFNDWMQYTHL-UODIDJSMSA-N 562.715 2.348 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)CC2)cc1C 13147813 ZXCLBMFIGALYOI-UHFFFAOYSA-N 529.084 2.152 0 40 KEAB COC(=O)c1cc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc(C(=O)OC)c1 40399661 KXVOVTDRQMZNIX-INIZCTEOSA-N 509.450 2.290 0 40 KEAB COc1cc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1 67890441 UTCNRRSBGPZJGD-NAVOZUGXSA-N 554.566 2.156 0 40 KEAB biogenic,in-vitro COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cccc(I)c3)c(=O)n12 100574225 DASNBTKJDYFXCB-PTLRMSDHSA-N 532.359 2.464 0 40 KEAB Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)OC(C)(C)C)ccc12 150340392 BRCAWRCEROGSRR-HJOGWXRNSA-N 660.769 2.026 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(F)cc2)cc1OC 224448881 XNJOYTISIPLJQJ-UHFFFAOYSA-N 637.708 2.254 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)cc3)c(=O)n2[C@H]1c1ccccc1OCC 408738609 MLOSRABQPWAUED-WNOSOOIWSA-N 521.595 2.061 0 40 KEAB COC(=O)COc1c(Br)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC 409398404 AJQSDJADFGTLFC-AUWJEWJLSA-N 523.292 2.482 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](O[C@H](C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 575372278 OWMZHUQIGVVXJE-WTBWXTDSSA-N 959.904 2.003 0 40 KEAB CC(C)(C(=O)NCCCN1CCOCC1)N(CCc1c[nH]c2ccccc12)C(=O)CN1C(=O)c2ccccc2C1=O 575443473 BIPRABBVDBWGOB-UHFFFAOYSA-N 559.667 2.452 0 40 KEAB C[C@]1(O)[C@](C)(O)[C@@](C)(O)[C@@](C)(Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(=O)O)oc3c2)O[C@]1(C)CO 585162758 YGFZTYGCKCRFHN-RQKPWJHBSA-N 572.563 2.059 0 40 KEAB biogenic O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C(=O)c1cnccn1)CC2=O)NCCN1CCCC1 958317791 NSFWDQKJXZFOMW-ZEQRLZLVSA-N 546.672 2.134 0 40 KEAB O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(Cc2cccnc2)CC3=O)CC1 958317796 OBHKGMZBGQIFBK-UIOOFZCWSA-N 531.657 2.188 0 40 KEAB Cn1c(COCC(=O)N2CCO[C@@]3(CC=CCc4ccccc4OCCNC3=O)C2)nc2ccccc21 1615125812 HCQAABOHHZYUKY-NDEPHWFRSA-N 504.587 2.385 0 40 KEAB COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)c(OC)c1 6924528 ZFSFSAGCDONGFP-UHFFFAOYSA-N 524.578 2.467 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccccc1OC 8399824 XBHXKOIZLLIIKT-VGBYGFDOSA-N 522.627 2.152 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)CC2)cc1 13146093 XTNZYFBEHOQEIM-UHFFFAOYSA-N 509.650 2.263 0 40 KEAB COc1ccc(C(c2c(O)nc3n(c2=O)CCCS3)c2c(O)nc3n(c2=O)CCCS3)cc1OC 13764039 XTILELGSWSNECN-UHFFFAOYSA-N 516.601 2.400 0 40 KEAB CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)CC1 14359731 LDRXGLGAEBELHG-UHFFFAOYSA-N 500.621 2.107 0 40 KEAB Cc1cc(C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=C/C(=O)OCc2ccccc2)C[C@@H]2CCNC2=O)C(C)C)no1 53683585 IDBWWEGDLCFCTD-VNEMRZQUSA-N 680.803 2.084 0 40 KEAB in-vivo COc1ccccc1N1CCN(CC[C@@H]2CC[C@H](O)[C@@H](C(=O)N3CCN(c4ccccc4)CC3)O2)CC1 96295998 FRYODRYPHRKDPS-MPYJOUPCSA-N 508.663 2.465 0 40 KEAB biogenic,in-vitro COc1ccc([C@H](c2c(O)n(C)c(=S)[nH]c2=O)c2c(O)[nH]c(=S)n(C)c2=O)cc1CN1CCCC1 100733851 QMTKZTNPXSKTJA-HNNXBMFYSA-N 517.633 2.395 0 40 KEAB COCCN(C(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 102715176 NSHDUZNONMWXSP-HFCJMSRESA-N 545.036 2.268 0 40 KEAB O=C(NCCN1CCOCC1)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223296458 CGJVVUGFSBOMMR-JGCGQSQUSA-N 636.771 2.305 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224538858 XFSFHUBRHRLRFZ-FQEVSTJZSA-N 505.593 2.133 0 40 KEAB CCOC(=O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@@H](c3ccc(OC)c(OC)c3)c3sc(=O)[nH]c3S[C@H]12 245245387 ILIWIHNLKASJOV-ABWFTKRFSA-N 530.624 2.490 0 40 KEAB CCOc1c(I)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1I 408548855 MFWGYDWNCGMALE-IZZDOVSWSA-N 556.094 2.360 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 408557267 GDNIJQIPJIHAES-HXUWFJFHSA-N 531.631 2.178 0 40 KEAB CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)[C@@H](CC)C(=O)NC1CCCC1 6631709 KMCFVPWQNRTADV-FQEVSTJZSA-N 502.616 2.450 0 40 KEAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H](c1csnn1)N(C(=O)CN1C(=O)c2ccccc2C1=O)C1CC1 8695989 HREREFRHZPMZRU-XMMPIXPASA-N 546.609 2.342 0 40 KEAB Cn1c(=O)n([C@@H](Cc2ccccc2)C(=O)N[C@@H](CSCNC(=O)c2ccccc2)C(=O)O)c(=O)c2ccccc21 70707053 QQQPIXFVWRWAGU-UPVQGACJSA-N 560.632 2.174 0 40 KEAB biogenic CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 225451772 OHPCAMUMYFKTEI-OAHLLOKOSA-N 512.426 2.387 0 40 KEAB CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H]3c4ccc(O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)cc4OC(C)(C)[C@H]3C[C@@H]2C1 257323536 WKSPIKAYMPAIAN-KZGGGASASA-N 521.607 2.379 0 40 KEAB COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](C)COc3ccccc3C(=O)N2)cc1OC 643572814 JEGWEFRTDRRMMA-AIGMYPEUSA-N 632.714 2.272 0 40 KEAB Cn1c(=O)c2c(nc3n2CC(c2ccc(Br)cc2)=NN3c2ccc(C(=O)O)cc2)n(C)c1=O 8926313 ZJLQAWROISQOOC-UHFFFAOYSA-N 509.320 2.450 0 40 KEAB CC[C@@H](C)n1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 15913731 CSUNCQCPYDSZGT-MJGOQNOKSA-N 523.681 2.324 0 40 KEAB COCCN(C(=O)CSc1nc2cc(Cl)ccc2[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 15934892 GBGRDOKWHNAEQU-UHFFFAOYSA-N 514.995 2.469 0 40 KEAB COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)Nc2ccc(F)cc2F)c1 16960640 TWAXTUHGPNCDGC-UHFFFAOYSA-N 500.487 2.252 0 40 KEAB CCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 19818699 JHYHNCQMTIODOM-QHCPKHFHSA-N 514.026 2.217 0 40 KEAB CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 32960963 MMAQQRWWVSQWEW-UHFFFAOYSA-N 503.621 2.444 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 224255297 URKIFXUVWNMBTQ-OAQYLSRUSA-N 511.666 2.294 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 225019918 DMCYPYLZWGGFTG-GOSISDBHSA-N 521.636 2.422 0 40 KEAB CCCNS(=O)(=O)c1cc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1OC 226045938 XRPYWLGRADLOHP-UHFFFAOYSA-N 509.650 2.141 0 40 KEAB COCCN(C(=O)CSc1nnc(-c2ccccc2C)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3431748 SXUPJVIRANXFPA-UHFFFAOYSA-N 535.630 2.043 0 40 KEAB CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O 6135089 XNJISPIGUVSARX-VJBWXMMDSA-N 522.602 2.058 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1OC)C(=O)c1snc(C(N)=O)c1N 6546648 SZWCXLNWYKAJHD-OAQYLSRUSA-N 543.577 2.035 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 6546790 PBTLRYBXELJBSD-HXUWFJFHSA-N 529.550 2.039 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1 6546852 YQJFPCFBSPYDMK-GOSISDBHSA-N 501.590 2.262 0 40 KEAB CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccco2)cc1 6601074 FRZAHYCDSIGVJC-OXQOHEQNSA-N 513.576 2.499 0 40 KEAB COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(O)cc1 12474059 KTYKMUFIXXHDDE-KKSFZXQISA-N 525.587 2.222 0 40 KEAB CCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13129495 ADLCOZQQCDEJMB-UHFFFAOYSA-N 506.588 2.250 0 40 KEAB CCOC(=O)CN(C(=O)c1ccc(CN2CCOCC2)o1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 19825940 BBAUGLUGKINMIR-OFVILXPXSA-N 531.581 2.293 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1 20031915 HQKBIASYSVFETH-HXUWFJFHSA-N 521.661 2.197 0 40 KEAB COc1cc2nc(CN3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)[nH]c(=O)c2cc1OC 66136332 OMGSUMOYQLMEQB-UHFFFAOYSA-N 523.409 2.209 0 40 KEAB COc1cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)cc2ccccc12 100043902 LWDYRVMYXLGAEN-FIXSFTCYSA-N 541.697 2.049 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 222713931 GHUACVJZLPMQGC-UHFFFAOYSA-N 521.592 2.408 0 40 KEAB CCOCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222857468 SEFNARYZHMVHGL-NRFANRHFSA-N 565.664 2.186 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 224255439 GCWCCWAVWPXFLE-JOCHJYFZSA-N 511.666 2.294 0 40 KEAB CCOC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F 248042290 LCQMJMOTMRIGEZ-BGEMRTGESA-N 516.435 2.300 0 40 KEAB CCN1CCN(CC(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)CC1 257244673 IMILSELXGXFNPN-AREMUKBSSA-N 507.075 2.214 0 40 KEAB C[C@H]1CC[C@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 257591135 WBDDWIKJZNNKBQ-ZNDDMMEJSA-N 766.966 2.492 0 40 KEAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 408703570 SZYGMOPJFHRYKM-UHFFFAOYSA-N 523.633 2.143 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 408828996 KEMFPBMTDBYINY-XFOXHJFNSA-N 568.604 2.288 0 40 KEAB CCc1ccc(S(=O)(=O)NCCN([C@@]2(C)CCS(=O)(=O)C2)S(=O)(=O)c2ccc(CC)cc2)cc1 575422678 VUXBDNFEZBUSFD-QHCPKHFHSA-N 528.718 2.358 0 40 KEAB Cc1ccccc1CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 835557 OUMMFFJFTFIGQA-DEOSSOPVSA-N 513.641 2.375 0 40 KEAB Cn1c(=O)c2c(nc(CN3CCN(c4cccc(Cl)c4)CC3)n2CC(=O)c2ccccc2)n(C)c1=O 57010924 GKSOZEMMQZHRBQ-UHFFFAOYSA-N 506.994 2.292 0 40 KEAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)C1 67338354 KDCJFVNQMJKIFS-OAQYLSRUSA-N 531.679 2.446 0 40 KEAB Nc1cnn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)n1 70664749 BNYBUTCVPIZYGY-UHRQBARKSA-N 556.531 2.426 0 40 KEAB CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C[C@H](NC(C)=O)c2ccccc2)CC1 72136964 VZQYFWLCCHMGJH-DEOSSOPVSA-N 543.690 2.055 0 40 KEAB CC[C@H](C)[C@@H](NC(=O)[C@@H](Cc1ccc(OC(=O)C(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)O 102804912 CMZZQMLGUMWKBW-UOAUAQBLSA-N 606.717 2.440 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 215991480 ZNYWQZKDLDNRTJ-UHFFFAOYSA-N 538.007 2.204 0 40 KEAB COC(=O)[C@]12C=C[C@@H](CC1)[C@H]1C(=O)N(c3cccc(N4C(=O)[C@@H]5[C@H](C4=O)[C@]4(C(=O)OC)C=C[C@H]5CC4)c3)C(=O)[C@@H]12 247807587 AQJQBGWZFOYOQM-NJJVDJFUSA-N 544.560 2.176 0 40 KEAB CC(=O)Nc1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)NC(C)C)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 253405136 RVTMFJJPYRSPTQ-RKDXIHMYSA-N 620.751 2.494 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCCN3CCCC3=O)c2)C[C@](O)(COc2ccccc2)C1 585281143 WQMPVXHLKUJXPZ-GDLZYMKVSA-N 525.646 2.179 0 40 KEAB COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CNCCS(=O)(=O)N2CCCC[C@H]2C)c1 643584598 GYRPPJUYMGYEPD-DKQMVKHYSA-N 712.951 2.027 0 40 KEAB CC(=O)N1CC=CCN(C)C(=O)c2cc(S(=O)(=O)NC3CCN(C)CC3)ccc2OC[C@H]1CC(C)C 1615189907 ANSRBKNEGLKJDS-JOCHJYFZSA-N 520.696 2.343 0 40 KEAB COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4nc(C)cs4)nn23)cc1 8684081 UMCSWZAQYUMFNW-UHFFFAOYSA-N 519.634 2.150 0 40 KEAB CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70706063 YVVVWZQDFLNPLG-VJBWXMMDSA-N 554.669 2.327 0 40 KEAB biogenic COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)cc1OC 100309814 IFXVDGSKMOIKID-QMHKHESXSA-N 583.623 2.253 0 40 KEAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 103020674 DQLARGCTOYHALT-UHFFFAOYSA-N 570.089 2.433 0 40 KEAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCCCOC)cc1 222945239 GNKKVTDPJAFYMW-FQEVSTJZSA-N 519.664 2.496 0 40 KEAB C[C@H]1CN(C[C@@H](O)COc2ccc(S(=O)(=O)c3ccc(OC[C@@H](O)CN4C[C@@H](C)O[C@H](C)C4)cc3)cc2)C[C@H](C)O1 245229307 SXNYEHQZYJLEOA-VRSGQGCISA-N 592.755 2.217 0 40 KEAB O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(C4CCCCC4)C[C@@H]13)CC[C@H]2n1cc(CN2CCOCC2)nn1 253396383 DRWRFXUMZHGSFD-CLWAWUJFSA-N 621.783 2.257 0 40 KEAB C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C)O[C@H]2O[C@@H]2C[C@H](O)CC3=CC[C@@H]4[C@H](CC[C@]5(C)[C@H]6[C@H](C[C@H]45)O[C@]4(CC[C@@H](C)CO4)[C@H]6C)[C@]32C)[C@H](O)[C@H](O)[C@H]1O 2061000513 OWGURJWJHWYCIQ-GXBBCMFKSA-N 722.913 2.388 0 40 KEAB CCS[C@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(Cl)ncnc21 5665549 FGQYLRHJNNSISP-SLWLNILOSA-N 589.023 2.021 0 40 KEAB COc1ccc(N(CC(=O)NC2CCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)cc1 6973649 XDWNONLZELIBJC-BHVANESWSA-N 515.588 2.203 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)o1 12716736 CXAOHDHPDYAOPF-YZUZCNPQSA-N 526.569 2.425 0 40 KEAB COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cnn(C)c4)c(=O)n32)ccc1O 30849592 SQPKFVCZWXTBAL-YLVTVWEBSA-N 501.568 2.322 0 40 KEAB CCNc1nc(OCC(F)(F)F)nc(N2CCN(c3nc(NCC)nc(OCC(F)(F)F)n3)CC2)n1 97940222 HKGIATRDQWHISE-UHFFFAOYSA-N 526.446 2.129 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 97998527 NNWAGEQDNUVUNB-VNGQLYDISA-N 558.536 2.280 0 40 KEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2I)sc2cc(S(N)(=O)=O)ccc21 100877667 FZLRQBAQPWFXJS-UZYVYHOESA-N 545.380 2.259 0 40 KEAB CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1 103086840 NHTYACLWWOQWPC-UHFFFAOYSA-N 562.963 2.298 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 140067542 UAOCACVTFMOAJQ-UHFFFAOYSA-N 551.687 2.205 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223710165 CSYYGQQRFOXJOS-MRXNPFEDSA-N 510.012 2.431 0 40 KEAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1 224297628 AUEAKIFOKGZTOH-IBGZPJMESA-N 509.650 2.129 0 40 KEAB COc1ccccc1OCC(=O)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1 643579173 VIHZXUNEXAATDS-LOSJGSFVSA-N 555.672 2.419 0 40 KEAB C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)C=CCCC=CC=CC=CC=CC=C[C@H](C)[C@@H](C)[C@H]1C)O2 1531855791 YOXQUZYJUARMBY-AZCWFJIBSA-N 924.135 2.211 0 40 KEAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3c(N)n(Cc4ccccc4)c(=O)n(C)c3=O)cc2C1=O 2642480 FAFADYUDSFXHTE-UHFFFAOYSA-N 552.543 2.326 0 40 KEAB CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O 2964627 SDCAAGJNPAEIEF-YCRPNKLZSA-N 513.645 2.431 0 40 KEAB COc1ccc(N(CC(=O)NC(C)(C)C)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)c(OC)c1 6074335 XCWGQCPOTFGAMQ-UHFFFAOYSA-N 512.567 2.322 0 40 KEAB CCCCCN(C(=O)CCC(=O)OCC(=O)NCc1ccc(OC)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O 38139489 CQQGOQVNBABHLD-UHFFFAOYSA-N 545.637 2.091 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 85544562 WBWWGRHZICKQGZ-ZJBCOZSXSA-N 515.713 2.368 0 40 KEAB in-vitro COC(=O)Cn1c(=O)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(N)n(Cc2ccccc2)c1=O 103083784 LUUDXNOTQCDOIL-UHFFFAOYSA-N 583.626 2.488 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 224333982 JLTIWILMQBHDTA-QHCPKHFHSA-N 539.676 2.220 0 40 KEAB CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@H](NC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)/C(O)=C/O)[C@@H]1OC(C)=O 252478886 AWUHWCGAUJTMSZ-YAVSDLSYSA-N 697.694 2.014 0 40 KEAB C[C@@H](O)[C@@H]1NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O 643568264 UYIXSSZONVJPEP-HIHITCIXSA-N 660.743 2.164 0 40 KEAB Cc1nn(CCNC(=O)[C@@H]2CCC(=O)N3CCC[C@H]3C(=O)N[C@H](C(C)C)COc3ccccc3C(=O)N2)c(C)c1C 643572165 QXDZAACLSILSOS-SDHOMARFSA-N 566.703 2.028 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O 643573173 NWGJVQMUPUGNSZ-GQDFKNHFSA-N 621.779 2.493 0 40 KEAB CCCCCCN1C[C@@H]2Oc3cc(C4CCN(C(C)=O)CC4)ccc3S(=O)(=O)NC[C@H](O)CN(C)[C@@H]2C1 1534611814 CQJMXGTUWYYVST-GSLIJJQTSA-N 536.739 2.009 0 40 KEAB O=C(CN1CCC[C@@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)Nc1ccc2nc(O)[nH]c2c1 2037879562 DOKVUMAWNVZACN-NDEPHWFRSA-N 532.601 2.174 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C 2061001047 WBWWGRHZICKQGZ-OMBGCPBSSA-N 515.713 2.368 0 40 KEAB COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4c(nc5ccccn5c4=O)N4CCCCC[C@@H]43)C2=O)cc1OC 2226826 YCKBZAOVMBGQBD-KPURRNSFSA-N 545.596 2.324 0 40 KEAB Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O 5741613 GHFJZNGBIKFXKG-YSHGAJCASA-N 541.196 2.070 0 40 KEAB COCCNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC 6905035 RAABOLNKPXBZFO-QFIPXVFZSA-N 552.613 2.473 0 40 KEAB CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC(C(=O)O)CC1 70706625 CTDPSSZMAMQZKF-DQEYMECFSA-N 559.623 2.419 0 40 KEAB biogenic COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)c2sc(=O)[nH]c2S[C@@H]31 100971569 PYRQISFDANFGQF-HCPZCFLBSA-N 516.597 2.100 0 40 KEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 103141472 JBOMLXBNNBPWTP-UHFFFAOYSA-N 537.660 2.362 0 40 KEAB CC(=O)[C@H](C(=O)CCSC[C@H](N)C(=O)O)[C@H](SC[C@H](N)C(=O)O)c1ccc(Cl)c(Cl)c1 104234091 FYDJWCHKJAVRTB-XJNFMUPTSA-N 511.449 2.489 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 224485219 BISJNTHCLZJMAF-QHCPKHFHSA-N 553.703 2.064 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(OC(C)=O)cc2)CC3=O)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 248053151 XTFVLYRMZHVXMC-GJOHZDSUSA-N 874.798 2.479 0 40 KEAB biogenic,in-vitro Cn1c(SCC(=O)Nc2ccccc2N2CCOCC2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 6444353 AOBZXILDBUIWAX-UHFFFAOYSA-N 558.686 2.070 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC 6546659 VEVPNYCMZZPSAC-OAQYLSRUSA-N 559.576 2.048 0 40 KEAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NCCCCCC(=O)OCc1ccccc1)C(N)=O 12494354 MVVFYQHHEKOACW-UYAOXDASSA-N 520.627 2.070 0 40 KEAB biogenic Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC(C(=O)N[C@H](Cc3ccccc3)C(=O)O)CC2)C(C)C)cc1 15958125 BTSLAJVJQWBZPB-DNQXCXABSA-N 529.659 2.349 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 60028228 WPXLGYMFGFTTQE-UHFFFAOYSA-N 551.687 2.205 0 40 KEAB COCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 222888172 RVYDYQLPMQMFLL-GOSISDBHSA-N 505.612 2.379 0 40 KEAB COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223005304 QYTZJJSTOGWKEW-GDLZYMKVSA-N 595.718 2.489 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 224334155 RWZDKMWQRYHHFH-HSZRJFAPSA-N 539.676 2.220 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCn3ccnc3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 585273189 AYWLCQWRXUHDOE-NDEPHWFRSA-N 508.619 2.371 0 40 KEAB CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCCNC1=O 643565429 GGKLTGJHMOGRHA-RPWUZVMVSA-N 522.646 2.354 0 40 KEAB O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1cccnc1)CC2 1548890183 NBUBJAOMDXDBSR-RPBOFIJWSA-N 563.680 2.201 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3ccco3)n2)o1 887938 WNDKOWPLBMIEJY-XMMPIXPASA-N 525.610 2.186 0 40 KEAB COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)cc1 100626409 GWXKSZGNWIFDJC-RNWIMVQKSA-N 597.636 2.494 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 223432272 UTTQVHSLIXAAHN-FQEVSTJZSA-N 507.609 2.032 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(S(=O)(=O)NC(C)=O)cc4)o3)C2=O)o1 409398301 CSFXHROIVQHJHY-WQRHYEAKSA-N 513.484 2.244 0 40 KEAB O=C(C[C@]1(COc2ccc(F)cc2)CN(C(=O)Cc2ccc3c(c2)OCO3)CCO1)N1CCOCC1 585283172 CYEKTHMMODDODS-AREMUKBSSA-N 500.523 2.022 0 40 KEAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 604403852 AMTBCXRWKHZOPD-HNPLUWAHSA-N 523.593 2.199 0 40 KEAB biogenic CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccc2)CC(=O)N2CCC[C@H]2C1=O 643574732 MZJBZVRQVAITNE-GGCFSWKVSA-N 639.753 2.103 0 40 KEAB O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(Cc2ccccn2)CC3=O)CC1 958317667 BITZRYPPHXIUSB-DQEYMECFSA-N 531.657 2.188 0 40 KEAB Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)sc2nc3n(c(=O)c12)CCCCC3 2653296 IBPWVDRECBKRFV-CYBMUJFWSA-N 504.590 2.324 0 40 KEAB Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CC1 12692849 KRQOTGQYNLPWMS-UHFFFAOYSA-N 501.609 2.286 0 40 KEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)cc2)n1 20493973 PHMQYYDHMYMIEM-UHFFFAOYSA-N 518.621 2.146 0 40 KEAB COC(=O)C(=O)[C@H](C(=O)C(=O)Nc1ccccc1C(=O)OC)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O 102945752 WXEKURFGFTYXMX-NRFANRHFSA-N 555.499 2.387 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 150349693 KGPGRIRIXKHZJN-HAIKFBFFSA-N 729.816 2.466 0 40 KEAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222864009 RDULMSGPLFJKLG-HSZRJFAPSA-N 521.595 2.226 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409030500 FYOCEJOAIKKKIS-KROVIPFCSA-N 611.673 2.178 0 40 KEAB O=S1(=O)C[C@@H]2[C@@H](C1)N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CS(=O)(=O)C[C@H]1N2S(=O)(=O)c1ccc(Cl)c(Cl)c1 575424781 MUUMPLKOQUBAAC-WTGUMLROSA-N 684.450 2.327 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOC[C@H]2CCCO2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643584848 LDNZBPUMHIOOGL-PKXQUSJVSA-N 608.736 2.236 0 40 KEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)n1 20459674 WODMZPBPSUNOAG-UHFFFAOYSA-N 507.569 2.438 0 40 KEAB CCOC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)C(F)(F)F)N[C@@H](CCc1ccccc1)C(=O)O 95751823 VYRMSBZJLSCWIF-UFYCRDLUSA-N 529.556 2.434 0 40 KEAB CC(C)c1nc(C(C)C)c(CO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]2O)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O 106047258 AKMUKCNIVAOAKJ-WZQAQPIYSA-N 621.655 2.143 0 40 KEAB CNS(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)ccc1OC 222902896 MMGOHMRRSWDVJR-HSZRJFAPSA-N 509.584 2.370 0 40 KEAB O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(Cc2ccccn2)CC3=O)CC1 253394700 BITZRYPPHXIUSB-OXOOYNAKSA-N 531.657 2.188 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409391055 XQFUMJPXKDXREG-IUKMQXEJSA-N 591.642 2.095 0 40 KEAB Cc1nn(C)cc1NC(=O)CN1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3 2037879289 LLYAOFGALBWEEG-JIMJEQGWSA-N 562.715 2.348 0 40 KEAB O=C(CN1CCC[C@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)Nc1ccc2c(c1)OCCO2 2037879707 MCDSNTIBINCRSO-GDLZYMKVSA-N 534.613 2.363 0 40 KEAB CCC(=O)OC[C@@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@@H](COC(=O)CC)OC(=O)CC 5063428 JSVBFXLBJJPXRV-KQACMCHDSA-N 518.556 2.180 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)cc1 6973726 LESWJPKDTYJUIZ-WIYYLYMNSA-N 525.587 2.222 0 40 KEAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F 16035775 IXNZPMDLTSQMBG-GOSISDBHSA-N 501.515 2.195 0 40 KEAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 105584997 JEVOPQUJKRCNLK-NRFANRHFSA-N 529.596 2.118 0 40 KEAB O=C(CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1)N1CCOC[C@@H](Cc2cccnn2)C1 643558302 HSOYUNITUABASU-DEOSSOPVSA-N 535.689 2.498 0 40 KEAB O=S(=O)(c1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)N1CCCCC1 20081437 SNXMHQBYZNKMHE-UHFFFAOYSA-N 507.634 2.096 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)CSc2cc(C)c3ccccc3n2)c(=O)[nH]c1=O 23078262 HAYWVCJSYICJRF-UHFFFAOYSA-N 529.619 2.090 0 40 KEAB COCCN(C(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32667651 TXFGTKSQAXVIKU-MRXNPFEDSA-N 526.615 2.190 0 40 KEAB COc1ccc(NC(=O)[C@@H](OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2)cc1Cl 32876688 GCKOQECZFGUWAG-FQEVSTJZSA-N 511.922 2.019 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2)c1 226079600 HKLIEGHEMBDBMN-UHFFFAOYSA-N 525.649 2.302 0 40 KEAB COc1cc(N(C(C)=O)[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(OC)c2c(C)cc(C)nc12 247947326 WUWCIEXADCZGCN-YGFVOSGVSA-N 604.609 2.305 0 40 KEAB biogenic,in-vitro CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1 408663547 YOYIEVKKIBUHRJ-INIZCTEOSA-N 502.321 2.327 0 40 KEAB O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21)NCc1ccco1 409143975 NRQOKACWPKEZTE-MTJSOVHGSA-N 508.556 2.446 0 40 KEAB Cc1ccc(S(=O)(=O)NCCN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)c(C)c2)cc1C 575420781 FBMNLGAIYYGETK-HXUWFJFHSA-N 514.691 2.077 0 40 KEAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCCN2CCCC2)CC(=O)N(Cc2ccccc2)CC1=O 643570947 ZVQNSXCBHGGBMW-MHZLTWQESA-N 577.726 2.437 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 6546691 NEPKPQCJYJTPFL-HXUWFJFHSA-N 513.551 2.339 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C 6547096 CGHRIETYVZUEFI-NRFANRHFSA-N 525.587 2.214 0 40 KEAB CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 13098414 LHLYQYYSSYQURC-UHFFFAOYSA-N 506.650 2.380 0 40 KEAB COc1cc(OC)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)c1 38145720 HCGRFFALBHNVFR-QVKFZJNVSA-N 543.602 2.426 0 40 KEAB COC(=O)Cn1/c(=N/C(=O)CSCC(=O)N2CCN(c3ccccc3)CC2)sc2cc(OC)ccc21 100825377 AKQCEHGCCBLBJR-QPLCGJKRSA-N 528.656 2.394 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N(C)Cc1nc(-c2ccccc2)no1 224374400 PGSJCSJWTFWMPS-UHFFFAOYSA-N 500.577 2.357 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225492374 RQBGQIWCWDFZCM-CQSZACIVSA-N 508.394 2.147 0 40 KEAB CCOc1ccc(-c2noc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(OC)c(OC)c3)n2)cc1 225883553 NVMZDYHDPVDSRB-UHFFFAOYSA-N 504.565 2.432 0 40 KEAB O=C1CN(Cc2ccncc2)Cc2ccccc2OC/C=C\[C@H]2CN1CC[C@H]2CC(=O)N1CC[C@@H](O)C1 253406819 VAKABIHCHBPEMS-CKTJPLJKSA-N 504.631 2.480 0 40 KEAB CCOC(=O)c1c(N2C(=O)[C@H]3[C@H]4C=C[C@@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)sc2c1CCCC2 409307073 QWDLUKUOMDHNGO-WWYOXQIGSA-N 503.529 2.069 0 40 KEAB Cc1csc(CCCNC(=O)[C@@H]2CC(=O)NC(C)(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)n1 643576509 NQJOVLHXNYAUBV-UIOOFZCWSA-N 662.813 2.210 0 40 KEAB CC(C)[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O 4018380 DDPKKYGBOPCJOF-ROJLCIKYSA-N 720.820 2.365 0 40 KEAB O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 6199322 UXDVDSYMQLPTCY-UHFFFAOYSA-N 573.649 2.129 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 6821403 ZDQWBWOFDJWWJQ-CKLTXHEASA-N 522.602 2.058 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 22530712 IVEGPCRNNMPXFY-UHFFFAOYSA-N 516.601 2.297 0 40 KEAB CCCC[C@H](C(=O)N1CCN(C(=O)[C@@H](CCCC)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100679877 LMDFRCCDJMVENG-VMOVIUQZSA-N 604.748 2.389 0 40 KEAB COC(=O)[C@]12C=C[C@@H](CC1)[C@H]1C(=O)N(c3cccc(N4C(=O)[C@H]5[C@H](C4=O)[C@H]4C=C[C@]5(C(=O)OC)CC4)c3)C(=O)[C@H]12 104058977 AQJQBGWZFOYOQM-DUZGAEQCSA-N 544.560 2.176 0 40 KEAB COc1cccc([C@@H]2N[C@](CCSC)(C(=O)O)[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@H]32)c1O 3626457 VLWRXMRSGQKWDZ-PUFAWVJESA-N 513.572 2.386 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OC)c(OC)c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1 6546938 LZZCPRFMUQXFHG-QFIPXVFZSA-N 555.613 2.217 0 40 KEAB CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCOC)c1ccc(C)o1 6631484 DIWZFRCKNOVIHO-LJQANCHMSA-N 501.565 2.275 0 40 KEAB O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 8692516 BPRBHHBMPFXFRQ-ZHZULCJRSA-N 519.576 2.313 0 40 KEAB CC(C)C[C@@H]1OC(=O)CCNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2[C@@H](C)CCN2C1=O 28642973 LQGNIRWAURPTIG-CMKXQIPVSA-N 669.864 2.395 0 40 KEAB biogenic CC(C)CN(C(=O)CN(C)C(=O)COc1cccc(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32972028 HQFOIDKTFLRPOQ-UHFFFAOYSA-N 527.544 2.320 0 40 KEAB CCc1cc(=O)oc2cc(O[C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(Cl)cc12 70700975 HYVXPHGGLPRFAX-DQGGMIFGSA-N 554.932 2.471 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225438643 ATKCFWGZVNGXQX-QGZVFWFLSA-N 507.584 2.306 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N([C@H](C)C(=O)O)C(=O)[C@@H]54)[C@@H]23)ccc1O 249694938 PZCVHTJSHJYMSA-AXDSLHTQSA-N 502.570 2.097 0 40 KEAB CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 253503400 MDPXIRWVLJUABC-KJBYKRCOSA-N 652.866 2.261 0 40 KEAB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OCC(=O)N[C@H](CCCNC(N)=O)C(=O)O 256028107 UCUQVSRVKQDAGE-MRXNPFEDSA-N 502.549 2.184 0 40 KEAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)cc1 408575692 FIQGFIJZNSZWNB-LJQANCHMSA-N 515.010 2.467 0 40 KEAB COc1cc([C@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc(OC)c1OC 524731689 HNAIFZSOXDCZOZ-KPFFTGBYSA-N 551.596 2.160 0 40 KEAB biogenic CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O 643564619 VXUJIIVZOKANGJ-QNKJOHNESA-N 551.688 2.383 0 40 KEAB C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O 643565143 DPZFXMILPKGJHD-PYISFFCESA-N 641.769 2.291 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4c(Cl)c(C(F)(F)F)nn4C)[C@H]3SC2)s1 2784555 XCHROZGFNMDEOE-XLKFXECMSA-N 554.985 2.397 0 40 KEAB CCOC(=O)[C@H](C)C[C@H](C)C(=O)N1CCOCCN(C(=O)[C@@H](C)C[C@@H](C)C(=O)OCC)CCOCC1 6547722 UAGMDKBSYWLEFF-FNAHDJPLSA-N 514.660 2.141 0 40 KEAB COc1ccc([C@@H]2OC[C@H]3O[C@H](OCc4ccccc4)[C@H](NC(C)=O)[C@@H](O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@H]3O2)cc1 94303166 FXPRHDJHAMNBSH-VLECDEGKSA-N 759.758 2.024 0 40 KEAB in-vitro CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Sc1nnc(COc2ccc(C(C)(C)C)cc2)n1C 101575178 VUEIIBXTOTUGJY-PDIHAJQMSA-N 606.698 2.440 0 40 KEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2cccc(N)c2)c1 102927140 XHRUWUOJHZJMKG-UHFFFAOYSA-N 541.538 2.438 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 224490264 JJRRVYYGJKCESY-NRFANRHFSA-N 586.132 2.098 0 40 KEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 226057612 PCLDNDNCVBOMHA-UHFFFAOYSA-N 523.677 2.239 0 40 KEAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(OC)c(OC)c3)C2)cc1 408659342 SCTQJYYQPDCKGQ-IBGZPJMESA-N 541.557 2.336 0 40 KEAB CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1 409028809 TVPNCZBCPVJXON-UHFFFAOYSA-N 513.401 2.402 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 409207333 SGAHMFJAGMESIP-MLJBDGAYSA-N 535.622 2.370 0 40 KEAB CCCn1c(SCC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)COC)C[C@@H]2CC(C)C)nnc1-c1ccccn1 643913248 NFFPCTBJQADREN-ONJQCEQUSA-N 650.843 2.108 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccccc3F)c2=O)=C(C(=O)OCC)[C@H]1c1ccccc1F 8448672 DQZNEQWVJYJMBH-BIRYMOPTSA-N 512.534 2.218 0 40 KEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)C2=O)cc1OC 14092718 JTJKOYLTVGCCAK-LFPIHBKWSA-N 501.561 2.064 0 40 KEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O 38139641 HJSRPDTVFDLQRA-FQEVSTJZSA-N 543.665 2.406 0 40 KEAB C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C)c1ccccc1 43746675 OIPATMUGKZSSKM-DFQATESRSA-N 522.627 2.207 0 40 KEAB biogenic CCN1C(=O)/C(=c2\sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)c2ccccc21 97970765 RPGAIMGPAHMXGE-PFWOMTEYSA-N 550.644 2.355 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@@H]1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@]1(O)[C@H]2OC 100094017 NWBWCXBPKTTZNQ-SYPQUSCQSA-N 584.710 2.222 0 40 KEAB COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)ccc1-n1cnnn1 100334920 BYZBRAFPKAXJQF-DFHRPNOPSA-N 567.610 2.485 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2cccc(OCc3ccccc3)c2)c(N)n(Cc2ccccc2)c1=O 103114482 NRJKKSYXOZPHEZ-UHFFFAOYSA-N 557.559 2.432 0 40 KEAB COC(=O)C12CCC(CC1)[C@H]1C(=O)N(CCCCCCN3C(=O)[C@@H]4C5CCC(C(=O)OC)(CC5)[C@@H]4C3=O)C(=O)[C@H]12 103553128 ADLRANCHRAKKIO-QROKALMCSA-N 556.656 2.476 0 40 KEAB CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1cc2sc(=O)oc2c2ccccc12 103600389 AQBUEVUUOYUTIV-PTHABLBFSA-N 547.538 2.043 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 225452056 YLFFUQMQIDOZKX-OAHLLOKOSA-N 542.452 2.396 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCOC[C@@H](O)[C@H]1O 643586418 XQFDJCQZXFJNBG-MIPYOGIXSA-N 603.732 2.336 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 12364401 HRCJALSTULENBQ-IBGZPJMESA-N 502.446 2.116 0 40 KEAB CC(C)CN(C(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23074629 ORULXUNPDMULOY-UHFFFAOYSA-N 502.575 2.416 0 40 KEAB COc1ccc(NC(=O)CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1 24764315 ODGAJCAOEMEAID-UHFFFAOYSA-N 509.544 2.376 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@@H]1C(=O)O 38139997 CYHMHJHPJPGOEW-DZWOVHDNSA-N 520.586 2.080 0 40 KEAB biogenic NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1N 100272768 TVJAGRCFIHEMLS-ORAYPTAESA-N 529.600 2.298 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)cc1OC 100284813 RPURFPKBAHBNQE-VGOFRKELSA-N 555.613 2.230 0 40 KEAB Cc1cc(/N=c2\n(Cc3ccccc3)c3ccccc3n2C2(O)C(=O)NC(=O)NC2=O)n(-c2ccccc2)n1 102926458 JWNIWRXIGKRRIQ-ORIPQNMZSA-N 521.537 2.229 0 40 KEAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1 223256191 RCGCZBDUYOVVGR-DEOSSOPVSA-N 513.616 2.436 0 40 KEAB Cc1cc(OC[C@@]2(CC(=O)N3CCCCC3)CN(C(=O)CN3CCN(C)CC3)CCO2)ccc1Cl 585285552 LKVYDQBRCQUFPK-AREMUKBSSA-N 507.075 2.275 0 40 KEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 20031002 WCGQCXBYIZDKGU-UHFFFAOYSA-N 516.041 2.070 0 40 KEAB CC(=O)Oc1ccc(/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)O)cc1OC(C)=O 27188033 RMUUAKSNUFVKKT-PMTCXZIRSA-N 642.522 2.107 0 40 KEAB COc1cc(OC)c(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(OC)c(OC)c4)C(=O)[C@H]32)cc1Cl 101390248 APNNFEGALBKCDV-PMACEKPBSA-N 503.899 2.306 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 222995338 PTUQDTOHAJVYMN-UHFFFAOYSA-N 564.730 2.296 0 40 KEAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccc(OCCCNC(=O)OC(C)(C)C)cc2)[C@H](O)[C@H]1O 257259771 KZXACYAGCKUNDC-WKDRNLAYSA-N 555.636 2.017 0 40 KEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 408558872 UFFOZQUTDLCNCS-UHFFFAOYSA-N 510.012 2.480 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1CC 6860664 WSCRCMWQGDXLDO-HSZRJFAPSA-N 569.640 2.471 0 40 KEAB COCCNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC 6904920 BMRVHXODXNOXPV-JOCHJYFZSA-N 552.613 2.473 0 40 KEAB COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(C)o1 12714990 ZTVDLKHEEAFKBF-XOBRGWDASA-N 513.576 2.418 0 40 KEAB CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O 15940704 PUPLSAUYQWLEQQ-HDICACEKSA-N 535.667 2.164 0 40 KEAB COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 34897071 SLVGCDNIHLAFIN-UHFFFAOYSA-N 503.499 2.344 0 40 KEAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccc(OC(F)F)c(OC)c3)c(=O)n12 35982203 GNWJSWHLZQCMAD-KTBCCEQZSA-N 502.495 2.469 0 40 KEAB CCOc1ccc(CCNC(=O)c2nnn(CC(=O)NCCc3ccc(OC)c(OC)c3)c2N)cc1OCC 97999299 USKOTZSYTFUUKP-UHFFFAOYSA-N 540.621 2.006 0 40 KEAB COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2NC(C)=O)cc1 103677776 CJIALWJKWYIUOU-CATPQQOXSA-N 566.394 2.394 0 40 KEAB C[C@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222702293 ZJMRRFWALZFINS-OAQYLSRUSA-N 541.626 2.413 0 40 KEAB C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O)C[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@@H]4CC[C@]3(C)[C@]1(O)[C@H]2C 254700194 HVNSMSNIQCASPS-KECSVPMESA-N 578.743 2.263 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409035878 QVJSVBFEVSVTAK-WDONWYDGSA-N 552.605 2.454 0 40 KEAB CCn1c(SCC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)COC)C[C@@H]2CC(C)C)nnc1-c1ccoc1C 643913275 ORFRERYZFBAVJT-RHQYCBDASA-N 639.816 2.224 0 40 KEAB COc1ccccc1-n1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(NS(C)(=O)=O)cc1 930630 XDYBZXGLWWAMEJ-UHFFFAOYSA-N 503.606 2.265 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4c(Cl)c(C(F)(F)F)nn4C)[C@H]3SC2)s1 2784553 XCHROZGFNMDEOE-RMLUDKJBSA-N 554.985 2.397 0 40 KEAB COCCNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N 6904929 QNVXDFHEONRHFZ-LJQANCHMSA-N 503.531 2.249 0 40 KEAB COc1ccc(/C=C/C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1 25397875 QCTZNDNGUWDXPQ-HWKANZROSA-N 518.632 2.358 0 40 KEAB O=C(Nc1snnc1C(=O)N1CCN(Cc2ccccc2)CC1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 33436077 ZPEDEUNZHISLJT-UXHICEINSA-N 519.631 2.309 0 40 KEAB COc1cc(OC)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)c1 38145718 HCGRFFALBHNVFR-YCRPNKLZSA-N 543.602 2.426 0 40 KEAB COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccco2)cc1 38145770 FJIKHOBPJRMCOQ-LVXARBLLSA-N 567.620 2.498 0 40 KEAB CSc1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1C(=O)N1CCOCC1 224569537 ZIRTZGYLAAPZJQ-UHFFFAOYSA-N 505.662 2.192 0 40 KEAB Fc1ccc(C2(CNC(=S)Nc3nc(N4CCOCC4)cc(N4CCOCC4)n3)CCOCC2)cc1 226000687 NLISXMNKMYRORJ-UHFFFAOYSA-N 516.643 2.324 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](O[C@@H](C)[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253535122 OWMZHUQIGVVXJE-BGFMYMOPSA-N 959.904 2.003 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409032533 JUTWSTCNNZTUAB-GOWBIRFASA-N 568.604 2.160 0 40 KEAB O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(CC4CC4)C[C@H]3C(=O)NC[C@H]3O[C@H](CCOc4ccccc4C(=O)N4CCN(CC5CC5)C[C@@H]14)CC[C@@H]3O)CC[C@@H]2O 514287404 XACZHUBBQRISOQ-YCVXFOQNSA-N 887.088 2.060 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4Cc4cccs4)NC3=O)O2)cn1 514287516 HUPHGQAJEDQOCL-IXUQPJALSA-N 565.696 2.329 0 40 KEAB CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)COc2ccccc2C(=O)N1 643564680 ADVVECMLBCKIIV-KDOGRSPLSA-N 656.869 2.371 0 40 KEAB O=C(CN1CCC[C@@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)Nc1ccc2c(c1)OCCO2 2037879708 MCDSNTIBINCRSO-LJAQVGFWSA-N 534.613 2.363 0 40 KEAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OC 20042529 XTLAIAYULQNOLZ-LJQANCHMSA-N 518.636 2.133 0 40 KEAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20098154 QLKXZZVJEJCTSR-LJQANCHMSA-N 521.661 2.485 0 40 KEAB CCOc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 22829675 IZPAKTYHTVJHRH-UHFFFAOYSA-N 534.679 2.052 0 40 KEAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cccc(I)c3)c(=O)n12 100574230 DASNBTKJDYFXCB-QTMFMZSGSA-N 532.359 2.464 0 40 KEAB C[C@@]1(C2=NO[C@H]3C(=O)N(CCNc4ncc(C(F)(F)F)cc4Cl)C(=O)[C@H]23)NC(=O)N(c2ccccc2)N1 100913195 DAMQUONKPOZAGZ-PDSXEYIOSA-N 537.886 2.356 0 40 KEAB COc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 101264779 KPYYXQFAXICZCS-JOCHJYFZSA-N 533.551 2.192 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 140373296 OMBHPBUURFXFLW-JOCHJYFZSA-N 565.714 2.329 0 40 KEAB CCC[C@H](NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](NC(=O)[C@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 202238316 BBAWEDCPNXPBQM-DMQZCONQSA-N 679.863 2.446 0 40 KEAB C[C@@H](C(=O)NCCO)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 222811064 CVTCYXLZJCWILY-KRWDZBQOSA-N 508.040 2.239 0 40 KEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)C2=O 13095529 APNSRDLRKVCBAA-SPLOXXLWSA-N 517.073 2.371 0 40 KEAB CC(=O)N[C@H]1[C@@H](Oc2cc3sc(=O)oc3c3ccccc23)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 103600395 AQBUEVUUOYUTIV-LSFRIGRTSA-N 547.538 2.043 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 222801078 MTKBTUYETJDDEY-HNNXBMFYSA-N 559.426 2.229 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 223161763 BJJCMXIWLZODOY-UHFFFAOYSA-N 541.648 2.146 0 40 KEAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCO)c1ccccc1)Cc1ccccc1 223297513 UBUVMLLKYAFKTL-AREMUKBSSA-N 509.628 2.327 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@H]5[C@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)[C@@H](O)C[C@]54O)C3)O[C@H](C)[C@H]2O[C@H]2C[C@H](O)[C@H](O)[C@@H](C)O2)C[C@H](O)[C@@H]1O 253407088 VOZHMAAEBAYRLK-JDZPMFLTSA-N 780.949 2.218 0 40 KEAB biogenic,in-vitro COC(=O)COc1ccc([C@H](CC(=O)OC)c2oc(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1OC 257198999 OMNSNIJQRUIFAM-DWLFOUALSA-N 594.617 2.382 0 40 KEAB CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)NCCS(=O)(=O)N3CCCC3)c2C1 643571078 VJHMMCGBIBMTTP-UHFFFAOYSA-N 522.712 2.369 0 40 KEAB CSCC(=O)N1CC[C@H](NC(=O)Nc2cccc(SC)c2)[C@H]1C(=O)N[C@@H](Cc1cccs1)C(N)=O 4200967 FEAVBHQLGIUVNS-BJLQDIEVSA-N 535.717 2.137 0 40 KEAB biogenic,in-vitro CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(NS(C)(=O)=O)cc2)n1-c1ccc(OC)cc1 6088630 IJFPBUJHULGOCX-UHFFFAOYSA-N 519.605 2.086 0 40 KEAB COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2ccco2)c2cccnc2)cc1OC 12485627 UIAWRMYOHINNAX-CJFMBICVSA-N 522.558 2.491 0 40 KEAB COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)c1 12715020 HAEWVYMYPYRHLQ-UZLBHIALSA-N 513.576 2.418 0 40 KEAB CCOC(=O)c1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc(C(=O)OCC)c1 13137962 RZZYDKBIBBFDFC-SANMLTNESA-N 525.514 2.217 0 40 KEAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)Oc2ccccc21 20494195 HZLPTHWPPKZDLQ-FQEVSTJZSA-N 502.574 2.438 0 40 KEAB COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 59781033 ZTRDRKKFLMDPMW-NRFANRHFSA-N 534.444 2.480 0 40 KEAB Cc1nnc(SCC2=C(C(=O)NCC(C)C)N3C(=O)[C@@H](NC(=O)c4nn(C)c(C)c4Br)[C@H]3SC2)s1 97948735 FERIOYUHJMCVNV-FOIQADDNSA-N 600.590 2.483 0 40 KEAB COc1cc(/C=C2/SC(=O)N(CCNC(=O)[C@H](Cc3ccccc3)NC(N)=O)C2=O)cc(OC)c1OC 102851886 LQZWTPQNSPBURY-TYSUYXETSA-N 528.587 2.145 0 40 KEAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)cc1 103114586 CSRCGAOQIGYTME-UHFFFAOYSA-N 589.648 2.312 0 40 KEAB CC[C@H](C)[C@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O 220928746 KULVZQUHMGDNPX-ZNXHFMEESA-N 695.906 2.447 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 224319225 VMCIQANGIKRMPZ-UHFFFAOYSA-N 535.688 2.208 0 40 KEAB CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)OC[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@@H](C)CC)[C@@H](C)CC 252516956 YJXRPXBRYBCYRH-SUJTTYDRSA-N 764.903 2.414 0 40 KEAB biogenic,in-vitro O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)N(C1CCNCC1)C2 514287572 MUAGZLUOJQDWJJ-QIXRUXETSA-N 540.705 2.076 0 40 KEAB CC(=O)N1CCC2(CCCCN(C)C(=O)[C@H](CCCCN(C)C(=O)CCc3cnn(C)c3C)N(C)C(=O)COC2)CC1 643559679 AKJCRMSYRIHSSZ-MHZLTWQESA-N 588.794 2.404 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC1=O 643567488 HSBBKVIQJVJJBR-ZEQRLZLVSA-N 556.635 2.329 0 40 KEAB CC1(C)Cc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(N)=O)C(C)(C)N1 4177863 JXCFWDPCIFVEOR-UHFFFAOYSA-N 506.650 2.280 0 40 KEAB CCOC(=O)C[C@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCC 5030809 VHOLNZGLSZSAPU-YADHBBJMSA-N 528.558 2.416 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@H](C)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 14086228 ARLCFKAYWMYESY-INIZCTEOSA-N 520.995 2.039 0 40 KEAB COCCn1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 20084163 QABQUVGHCBAHBW-DEOSSOPVSA-N 523.569 2.229 0 40 KEAB Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O 20237377 OIQGFYFRROIENR-UHFFFAOYSA-N 502.014 2.074 0 40 KEAB O=S(=O)(c1ccc(-c2nnc(SCCN3CCOCC3)n2-c2ccccc2)cc1)N1CCOCC1 26099329 LDVAEZPICQCSRZ-UHFFFAOYSA-N 515.661 2.380 0 40 KEAB COc1cc(/C=C/C(=O)N2CCN(C[C@H](O)COc3ccc(C(C)=O)c4c3OCCO4)CC2)cc(OC)c1OC 72266890 SYFDPNLESAYNCB-FERLCFGISA-N 556.612 2.284 0 40 KEAB in-man O=S(=O)(c1ccc(Cl)nc1)N(c1cccc(-n2cnnn2)c1)S(=O)(=O)c1ccc(Cl)nc1 101141146 WPAINRLUVDFIEE-UHFFFAOYSA-N 512.360 2.343 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 102971723 NNWAGEQDNUVUNB-DJOAIXOZSA-N 558.536 2.280 0 40 KEAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 224480692 DKXFPWACGHUNTH-UHFFFAOYSA-N 583.754 2.025 0 40 KEAB Cc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 225507197 WXFLALQUUWDJFF-IBGZPJMESA-N 503.621 2.474 0 40 KEAB COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(Cc5cccc(OC)c5)C[C@H]4C(=O)NC[C@H]2O3)nn1 253394494 BCPGNGOZAFESQW-BJBOMGFNSA-N 604.708 2.447 0 40 KEAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1OCC(=O)N1CCOCC1 409400540 SWBPDEAOOAEFLW-WQRHYEAKSA-N 547.948 2.449 0 40 KEAB CC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@](O)(COc2ccccc2)C1 585281156 WWHWOOUANPSUDO-GDLZYMKVSA-N 538.645 2.260 0 40 KEAB COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN2CCC[C@@H](c3cc(CO)[nH]n3)C2)c1 643584573 DOYLQGWDDKDKMK-YJVJQFBESA-N 687.879 2.328 0 40 KEAB COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CNCCc2ccncc2)c1 643585132 QLAWCVYGQDGNGO-FWLJPKAVSA-N 628.811 2.460 0 40 KEAB CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O 2239020092 KULVZQUHMGDNPX-NACVZRQISA-N 695.906 2.447 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)CCn4nc(C(F)(F)F)cc4C)[C@H]3SC2)s1 2809729 PSPRBEWXKFTTPP-XJKSGUPXSA-N 548.594 2.291 0 40 KEAB COc1ccc(-c2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 11758160 HFVDVKZWSVKHQW-UHFFFAOYSA-N 551.625 2.171 0 40 KEAB CC[C@H](C)n1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 15913733 CSUNCQCPYDSZGT-HKUYNNGSSA-N 523.681 2.324 0 40 KEAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 22271659 GTTJOWWWWMATEG-JOCHJYFZSA-N 503.602 2.261 0 40 KEAB CCOC(=O)c1cnc(SCC(=O)OCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)nc1N 102904860 LMPBXXQKBMLWGG-UHFFFAOYSA-N 530.390 2.275 0 40 KEAB CC(=O)OC[C@H](O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@]4(O)C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@H]3CC[C@]12C 118928063 KULCHMMNCMFNLY-QKKGPODNSA-N 510.624 2.274 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223402964 BSYVPAJUQKRDAE-NRFANRHFSA-N 519.620 2.176 0 40 KEAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21 224501328 LHUXHJDSXMLCSJ-UHFFFAOYSA-N 541.673 2.022 0 40 KEAB CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccncc2)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O 643564307 BEKGJUGOJZFEGR-QNKJOHNESA-N 551.688 2.383 0 40 KEAB CCCCOC(=O)C1=C(N)n2c(s/c(=C\c3cccc(OC)c3)c2=O)=C(C(=O)OC)[C@@H]1c1cccc(OC)c1 1890448 PFIYRZGCPDJZHP-PHCAOYFPSA-N 550.633 2.348 0 40 KEAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 2655506 YYQYMBVMSXPNSW-UHFFFAOYSA-N 509.540 2.341 0 40 KEAB COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 6905010 MCTOYHAPIRNAOK-LJQANCHMSA-N 501.540 2.123 0 40 KEAB COc1ccc(Cn2nnnc2CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C[C@@H]2CCCO2)cc1 57642754 ABFYJNWFHQCDQD-NRFANRHFSA-N 504.547 2.481 0 40 KEAB CCOc1cc([C@H](c2c(O)n3c(nc2=O)SCCC3)c2c(O)nc3n(c2=O)CCCS3)ccc1O 102507288 AWSHIRSSUVJAJO-HNNXBMFYSA-N 516.601 2.487 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 224490133 YXQCKDCMURZCNQ-NRFANRHFSA-N 586.132 2.098 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225027756 BMVVSBUTLQEWTN-SFHVURJKSA-N 519.620 2.176 0 40 KEAB O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)N(CCO)Cc1ccccc1 252492547 MOZSEZZKJUYYSJ-UHFFFAOYSA-N 500.599 2.075 0 40 KEAB CC1(C)[C@H](O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(C(=O)O)CC[C@@]3(C)CC[C@]21C 253618028 LPLVUJXQOOQHMX-VFGBKTNDSA-N 822.942 2.246 0 40 KEAB CS(=O)(=O)N1C[C@H](C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2ccc(Cl)cc21 260890788 SDNCEJSVGPTGND-JOCHJYFZSA-N 558.078 2.237 0 40 KEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 408706386 JYEBBRKDEVEDCZ-UHFFFAOYSA-N 523.633 2.427 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC 409172626 DTFUKYQWCWOJNP-DBLMTGOPSA-N 607.685 2.053 0 40 KEAB O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)N(CC1CC1)C2 514287691 YQMBBBKWJUJEAY-ZUGAHZRVSA-N 520.630 2.139 0 40 KEAB Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccc(F)cc1 1839119 GABCRYDSAMHURE-QHCPKHFHSA-N 515.423 2.312 0 40 KEAB CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1C(N)=O 6135068 SKCBOHGILGKGJY-LNRXMEIDSA-N 553.745 2.464 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)O)C(C)C 70700640 TUYUARLXNQWHBX-WIQPIVSASA-N 522.602 2.230 0 40 KEAB biogenic CCN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)[C@@H]1CCS(=O)(=O)C1 103085776 BAWRTWFBSVHEAT-GOSISDBHSA-N 541.047 2.284 0 40 KEAB C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@]1(C)O 253387434 MLKQAGPAYHTNQQ-COQUDTHHSA-N 650.850 2.434 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC 408906677 DAOJAQBSYPYTJX-ZBXXMNEPSA-N 551.621 2.070 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 618071540 LTMHDMANZUZIPE-UTFKTBKOSA-N 780.949 2.218 0 40 KEAB COC(=O)c1ccnc(-c2cc(C(=O)NCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)ccn2)c1 1857794601 COBGNUQDSQTHEB-UHFFFAOYSA-N 620.700 2.268 0 40 KEAB COCOc1c(OC)c([C@@]2(O)C(=O)N(C)c3ccccc32)c(OCOC)c(OC)c1[C@]1(O)C(=O)N(C)c2ccccc21 1612075 SFICRIOMCLWQMH-RNPORBBMSA-N 580.590 2.094 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 2288718 VOHYSFSHGWMINE-MFUBYVTQSA-N 536.562 2.267 0 40 KEAB COc1ccc(OCC(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1 8400539 ZCRJWQNTCHZYBB-UHFFFAOYSA-N 533.588 2.195 0 40 KEAB CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 14360964 YOTVCRUNGBAQQK-UHFFFAOYSA-N 511.622 2.126 0 40 KEAB COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3nc4ccccc4n3C)N2C)cc1 22920932 CSDPVMMIVOBJIZ-VLUSQRCCSA-N 504.635 2.052 0 40 KEAB biogenic,in-vitro CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1 38784345 LVTZXEWYTJGTHZ-HSZRJFAPSA-N 512.010 2.020 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](n2nc(N3C(=O)c4ccccc4C3=O)c3ccccc32)[C@H](OC(C)=O)[C@H]1OC(C)=O 103219355 UWMUWOPRCFCWED-IFOBJOEFSA-N 521.482 2.161 0 40 KEAB O=c1[nH]c(=O)n(CCc2ccc(F)cc2)c(O)c1C(c1ccccn1)c1c(O)n(CCc2ccc(F)cc2)c(=O)[nH]c1=O 103770637 GTSGVWZZHFSLIC-UHFFFAOYSA-N 589.555 2.137 0 40 KEAB COC(=O)[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c2ccccc2O1 226074403 KQRNCLLQGQEKBM-QFIPXVFZSA-N 504.561 2.072 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 408986783 PGYMIIKHBVWTRY-CEMPLAKHSA-N 508.552 2.270 0 40 KEAB CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCCNC1=O 643565092 AZNLNGUWKQBKSW-XUZZJYLKSA-N 545.036 2.063 0 40 KEAB CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CCC(=O)NC2(CCCCC2)C(=O)N1 643572467 XXFISRAWJVLTRU-ZEQRLZLVSA-N 564.687 2.066 0 40 KEAB O=C1NCCNC(=O)[C@]2(CC=CCOc3ccccc31)CCCN(CC(=O)N1CCN(c3ccccc3)CC1)C2 2037879791 QBPLTEWUEDWMEN-WJOKGBTCSA-N 545.684 2.302 0 40 KEAB O=C(O)c1cn(C2CC2)c2cc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c(F)cc2c1=O 2644004 OQMLZHABXASMDX-UHFFFAOYSA-N 529.546 2.456 0 40 KEAB CCOCCCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccc(O)c(OC)c1 6600026 COBRJKVWLLHXJR-FQEVSTJZSA-N 519.624 2.207 0 40 KEAB CCOC(=O)N1CCN(C(=O)c2c(F)c(F)c3c(c2F)N(Cc2cccnc2)CCS3(=O)=O)CC1 12325072 WEYHNVDPSXIRPW-UHFFFAOYSA-N 512.510 2.207 0 40 KEAB CCN(C(=O)CSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC)[C@@H]1CCS(=O)(=O)C1 12520221 MNEICUZJQRDBLB-MRXNPFEDSA-N 516.711 2.214 0 40 KEAB O=S(=O)(c1cccc(-c2nn(CN3CCOCC3)c(=S)n2Cc2ccccc2)c1)N1CCOCC1 12528685 JDQCHDZXIQFOAB-UHFFFAOYSA-N 515.661 2.440 0 40 KEAB COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1OC 13135377 XMDFKUAFJPASHB-UHFFFAOYSA-N 519.620 2.133 0 40 KEAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(Cc4ccccc4)CC3)cc2c1 19973348 XVTPTHWRBMWOSD-VWLOTQADSA-N 503.607 2.467 0 40 KEAB CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(OC)c(OC)c3)c2=O)cc1 35377771 QCKDIMQEEIOTMH-UHFFFAOYSA-N 502.527 2.097 0 40 KEAB Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCN(CCOc2ccc(F)cc2)CC1 85879680 PMRVMNPDOIPRHP-PKTZIBPZSA-N 563.674 2.208 0 40 KEAB biogenic O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 103077567 AFMNFHWBNVVBSP-UHFFFAOYSA-N 565.651 2.365 0 40 KEAB CCCCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nc2ccccc2c1=O 103083088 BJGYIOWMWRUJBR-UHFFFAOYSA-N 563.636 2.299 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2c(Cl)cccc2Cl)c(N)n(Cc2ccccc2)c1=O 103110996 ODXYJHMQSFGDBY-UHFFFAOYSA-N 520.325 2.160 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253618036 LTMHDMANZUZIPE-QOQXVUGASA-N 780.949 2.218 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 408704125 XUOGPZUYJULOQH-UHFFFAOYSA-N 523.633 2.143 0 40 KEAB CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCc2ccncc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O 643575751 JVFGXQZUIZQXDU-NGDRWEMDSA-N 656.784 2.086 0 40 KEAB CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CCC(=O)NC2(CCCCC2)C(=O)N1 643579422 XXFISRAWJVLTRU-BJKOFHAPSA-N 564.687 2.066 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@H](O)C[C@@H](O[C@@H]3[C@H](O)C[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)[C@H](O)C[C@@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@@H](O)[C@@H]1O 2002125252 LKRDZKPBAOKJBT-KABIHPFESA-N 780.949 2.218 0 40 KEAB CN(C(=O)COC(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1)[C@@H]1CCS(=O)(=O)C1 3337765 UCWSONYEBDDBBA-LJQANCHMSA-N 506.536 2.443 0 40 KEAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)CS2 8692910 DZAKRSXBMGSWAR-LAUBAEHRSA-N 516.041 2.450 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccco3)n2)o1 19825956 UCDHMDNCNNRPRC-QFIPXVFZSA-N 513.599 2.041 0 40 KEAB COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)N2CCOCC2)cc1 25764289 XBKFENNYPADPRD-HXUWFJFHSA-N 502.618 2.110 0 40 KEAB COC(=O)c1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(Br)o3)c(=O)[nH]2)cc1 38139076 VCBAUPXIQAFEBZ-UHFFFAOYSA-N 522.337 2.477 0 40 KEAB CC[C@@H](CCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1 76945076 PWKRIVHAEAYCHH-RPSKVIJJSA-N 561.749 2.235 0 40 KEAB in-vitro COc1ccc(Cn2nnnc2CN(CCCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 100373128 KGLMCQABHZAKRW-UHFFFAOYSA-N 547.616 2.025 0 40 KEAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCCCO5)C3=O)cc2)C[C@@H](C)O1 108941229 OOGUZDXXRMUGQB-URAKLDTCSA-N 572.640 2.052 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)COc2ccc(I)cc2)cc1 224250938 HSTAOFXFRPJURG-UHFFFAOYSA-N 504.346 2.116 0 40 KEAB O=C(CN1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 2037879330 OLVYSBJJMDENSM-AVXDPSIRSA-N 693.867 2.327 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OC)c(OC)c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 6546939 WUCPBIVNSJLWDR-NRFANRHFSA-N 559.576 2.048 0 40 KEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)C2=O)cc1OC 14092719 JTJKOYLTVGCCAK-BSEYFRJRSA-N 501.561 2.064 0 40 KEAB COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCCC1 20033207 DCKPXYDCWWQXOD-UHFFFAOYSA-N 507.634 2.194 0 40 KEAB COc1ccccc1N1CCN([C@@H]2[C@@H](O)[C@H](NCc3ccc(OC(F)(F)F)cc3)[C@H]3CO[C@@H]2O3)CC1 67879460 SVXUXZDTZVKZOO-ZSXJVMONSA-N 509.525 2.359 0 40 KEAB biogenic,in-vitro CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2cc(S(N)(=O)=O)ccc21 100877598 DNHMTNDUJNFAGK-LCUIJRPUSA-N 580.710 2.075 0 40 KEAB C[C@@]1(C2=NO[C@@H]3C(=O)N(CCNc4ncc(C(F)(F)F)cc4Cl)C(=O)[C@H]23)NC(=O)N(c2ccccc2)N1 100913198 DAMQUONKPOZAGZ-VFCRVFHLSA-N 537.886 2.356 0 40 KEAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)c1 102931612 OLDUQJDQDCAODX-UHFFFAOYSA-N 539.613 2.300 0 40 KEAB COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)C3=O)ccc2c1 103139723 SFVOCCVONAMTAV-MHZLTWQESA-N 552.609 2.275 0 40 KEAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCCCO)cc1 222792096 LSJVOBTZRGEBEA-GOSISDBHSA-N 510.056 2.487 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409047294 MDTJHKXMEWSRNI-HYDUIHFESA-N 624.668 2.301 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccccc1OC 409108985 ZFYVJHPRCPWSNN-OWXSRONMSA-N 545.665 2.303 0 40 KEAB COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)c1 643573781 WPCASWLAVNDCQC-JDUBCYAJSA-N 637.778 2.111 0 40 KEAB O=S(=O)(c1cc(Br)ccc1Br)N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 2630950 SKSXKOGLNLAARQ-JKSUJKDBSA-N 542.290 2.074 0 40 KEAB O=C(CSc1nnc2sc3ccccc3n12)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 12563584 ABFFRKNXGYBADW-UHFFFAOYSA-N 505.603 2.401 0 40 KEAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1OCC(F)(F)F)CS2 12896859 ZTJKSXJJBORMBI-KXBFYZLASA-N 523.555 2.041 0 40 KEAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59852165 SHUVXPZVWGSDIW-UHFFFAOYSA-N 572.105 2.277 0 40 KEAB CC(C)[C@@H]1C(=O)N2CCC[C@@H]2[C@@]2(O)O[C@@](NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 60027358 UJYGDMFEEDNVBF-VVDHEXQNSA-N 561.683 2.040 0 40 KEAB CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)N1CCN(c2ccccc2F)CC1 64775054 YYASIGNBRBBJGE-UHFFFAOYSA-N 504.566 2.224 0 40 KEAB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CC(=O)O)C(=O)[C@H]45)[C@H]23)ccc1O 100922661 HUJWUIISPQBVIH-WXIIEGHOSA-N 502.570 2.099 0 40 KEAB COc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 101264782 KPYYXQFAXICZCS-QFIPXVFZSA-N 533.551 2.192 0 40 KEAB CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C(=O)NC[C@H]1O2 253406420 ULYNICFAKBVYBC-AYEXWZOKSA-N 573.691 2.271 0 40 KEAB CC(C)c1nc2ccccc2n1CC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cc(F)c(O)nc1=O)CO2 257298673 RMVHIZPQUWYEID-CJFMBICVSA-N 513.570 2.335 0 40 KEAB COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)N5CCOCC5)cc4)c(=O)n32)c1 409164502 JKCAAWHJLCTQAJ-NKYAOSOXSA-N 591.686 2.433 0 40 KEAB O=C(C[C@]1(COc2ccc(F)cc2)CN(C(=O)CCn2ncc3ccccc32)CCO1)N1CCOCC1 585283696 GVAMRNORNWCMJG-HHHXNRCGSA-N 510.566 2.491 0 40 KEAB CS(=O)(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1 3412495 FEQUEEPZVQLQHE-RUDMXATFSA-N 507.615 2.373 0 40 KEAB COc1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1 12563210 JVZFSCVHZQQSQW-UHFFFAOYSA-N 503.577 2.112 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 17611610 WBWWGRHZICKQGZ-CIBOZWKFSA-N 515.713 2.368 0 40 KEAB endogenous,in-man CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(=O)[nH]c1=O 32988047 YPQWDIWFBHSKBE-UHFFFAOYSA-N 505.531 2.013 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)cc1 102911065 PKNDMOPPKMFHGQ-VWLOTQADSA-N 530.603 2.284 0 40 KEAB CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 103007001 LNRBXEXJYAFWFL-UHFFFAOYSA-N 535.475 2.189 0 40 KEAB C[C@@]12C=C[C@]3(O1)[C@@H](C(=O)NCc1ccccc1)N(C[C@@H]1CCCO1)C(=O)[C@@H]3[C@H]2C(=O)NC1CCCCC1 245229550 ARXFALKOVCPKLM-GTJLZOINSA-N 507.631 2.471 0 40 KEAB CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c3ccccc23)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 253475953 AQBUEVUUOYUTIV-FZUYCCLGSA-N 547.538 2.043 0 40 KEAB COc1ccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 260764488 UEXGLQYCTHIUAZ-GOSISDBHSA-N 521.636 2.420 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](O[C@H](C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575372274 OWMZHUQIGVVXJE-LEUDRMDRSA-N 959.904 2.003 0 40 KEAB CC(=O)N1CCCN(C)CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)Cc2ccccc21 643554443 TVUVIKICMSHQJU-UHFFFAOYSA-N 515.632 2.339 0 40 KEAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)cc1 643574753 NZFLOUSMPXTUDU-RDAHNBDFSA-N 669.779 2.112 0 40 KEAB O=C1CN(CCCOc2ccc(CN3CC[C@H](O)[C@@](O)(COc4cccc(Cl)c4)C3)cc2)C(=O)N1 2037942947 QVXQFPPADCUGSJ-DHLKQENFSA-N 503.983 2.037 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 1248830 GZSYKIZUYDKHPN-VZIOXZNFSA-N 506.536 2.259 0 40 KEAB CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 11026975 DHEYTJVPOXJDMJ-JMTTVTNBSA-N 579.580 2.044 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1 19818657 SOJNJPPIEVWSDF-OAQYLSRUSA-N 521.515 2.322 0 40 KEAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 20031716 LKPGOSHAGIWXDW-UHFFFAOYSA-N 509.625 2.327 0 40 KEAB COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)c1 100627003 IFZCJXZATINISS-WNCULLNHSA-N 578.647 2.300 0 40 KEAB COc1ccc(-c2nc3sc(=Cc4ccc(-c5ccc(S(N)(=O)=O)cc5)o4)c(=O)n3n2)cc1OC 254578557 TVVPDARIYOAYLZ-UHFFFAOYSA-N 510.553 2.290 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)C2)c1 408557250 FZOYPVQFTQFILI-IBGZPJMESA-N 503.621 2.462 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NC[C@@H]2CCCO2)CCC(=O)N[C@@H](CC(C)C)C1=O 643584432 AMJUJFMNXHHXRO-XWGVYQGASA-N 544.693 2.412 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C 2061001043 WBWWGRHZICKQGZ-KBNSMQCUSA-N 515.713 2.368 0 40 KEAB COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H]1CN(C(=O)NC(C)C)CCN1C(=O)C1CCCCC1 4277781 UWRLTEJMJHPCGN-GOTSBHOMSA-N 516.639 2.107 0 40 KEAB biogenic,in-vitro CSCC[C@H](NC(=O)C1CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)O 8918317 WDWJMHXXMKDCOZ-SFTDATJTSA-N 527.709 2.249 0 40 KEAB biogenic Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(CCN2CCOCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1 19941055 FCRBXMIEODESTJ-DEOSSOPVSA-N 523.638 2.367 0 40 KEAB O=S(=O)(NCCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(Br)cc1 106338526 MIMUDZPHXVSXOQ-UHFFFAOYSA-N 567.325 2.496 0 40 KEAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCCSc1nc(-c2ccccc2)n[nH]1 222793808 UDAYOSVEBZTAFI-UHFFFAOYSA-N 517.633 2.088 0 40 KEAB Cc1c(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1N(C)S(C)(=O)=O 224414071 RSCTUKDLFTVGJL-UHFFFAOYSA-N 509.650 2.374 0 40 KEAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 226085363 KHYXVGQYJWONEO-UHFFFAOYSA-N 535.688 2.383 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)[C@@H](O)C[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253498696 LKRDZKPBAOKJBT-UOLKVPSBSA-N 780.949 2.218 0 40 KEAB biogenic O=C(N[C@H]1OC(=O)C(Br)=C1Br)N[C@@H]1OC(=O)C(Br)=C1Br 3102179 JZHRZXBIRHWARA-OLQVQODUSA-N 539.756 2.054 0 40 KEAB Cc1cc(C)cc(OCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 13013135 TZVXEJKFVXRSTP-UHFFFAOYSA-N 508.575 2.395 0 40 KEAB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(C)(=O)=O 59853427 CZBZMZVMBMWNHJ-UHFFFAOYSA-N 525.996 2.344 0 40 KEAB C[C@@H]1O[C@H]2O[C@@H]3[C@@H](C)O[C@H](c4ccc5c(c4O)C(=O)c4ccc(C[C@@](C)(O)CC(=O)O)c(O)c4C5=O)C[C@H]3O[C@H]2CC1=O 67910709 LOVVVDDAKZKPHZ-OJHYTDOQSA-N 596.585 2.348 0 40 KEAB biogenic,in-vitro CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70672456 NNWAGEQDNUVUNB-IEAFHPEVSA-N 558.536 2.280 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](CCSC)C(=O)O 70705309 RAFSARHBQPWJQX-DZWOVHDNSA-N 554.669 2.327 0 40 KEAB biogenic COc1ccccc1-n1c(-c2ccncc2)nn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)c1=S 102325667 FGJVWRAAWAUALO-CXTGUETESA-N 613.649 2.302 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)COc3ccc4c(C)cc(=O)oc4c3)CC2)c(C)c1 103092928 NGIIGMDHJVZFFJ-UHFFFAOYSA-N 528.583 2.173 0 40 KEAB COc1ccc(N(CCCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(C)(=O)=O)cc1 223215861 PNPMVIXZMLPJNQ-UHFFFAOYSA-N 509.650 2.083 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 224334032 JLTIWILMQBHDTA-HSZRJFAPSA-N 539.676 2.220 0 40 KEAB O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(Cc2ccncc2)CC3=O)CC1 514287707 ZZQDHUDHXUDPAQ-YWBNLYJKSA-N 531.657 2.188 0 40 KEAB CCN1CC(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCCc2cccc(OC)c2)CC1=O 643574605 DGWFLKUKCFKEBM-MVSFAKPFSA-N 671.795 2.360 0 40 KEAB COC[C@@H](C)n1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)nc2ccccc2c1=O 2642319 ZXBWTNVXVQBKKQ-MRXNPFEDSA-N 521.599 2.070 0 40 KEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccc(S(C)(=O)=O)c4)o3)cc2)C[C@H](C)O1 9346708 MYPVBMCDVRPVDR-GJZGRUSLSA-N 520.589 2.190 0 40 KEAB C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C)c1ccccc1 12889336 OIPATMUGKZSSKM-AYTJWNHJSA-N 522.627 2.207 0 40 KEAB biogenic Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c(C)c1 13114448 BSJMSMXNEGLLMB-UHFFFAOYSA-N 511.648 2.355 0 40 KEAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 19972960 USJGTILGKRIENH-AREMUKBSSA-N 531.617 2.359 0 40 KEAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)Oc2ccccc21 30867006 NQGRZZXLGFIAQI-HXUWFJFHSA-N 517.589 2.142 0 40 KEAB C[C@H]1O[C@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253499635 LTMHDMANZUZIPE-OYMONYHUSA-N 780.949 2.218 0 40 KEAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)cc1 408575689 FIQGFIJZNSZWNB-IBGZPJMESA-N 515.010 2.467 0 40 KEAB Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCn3ccnc3)CCO2)ccc1Cl 585286077 MZUBSUNVTMOOPV-RUZDIDTESA-N 504.031 2.076 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCC2CCN(C)CC2)CC(=O)N[C@H](CC(C)C)C(=O)N1C 643583930 FZSDUWSLIKOQSP-AYRHNUGRSA-N 571.763 2.430 0 40 KEAB CN(C[C@@]1(O)CCCN(c2ccnc3cccnc23)C1)C(=O)CC[C@@]1(c2ccc(F)cc2)NC(=O)NC1=O 2037880244 YARWXJHYCXNOOO-SVBPBHIXSA-N 520.565 2.074 0 40 KEAB CC(C)C(=O)OC[C@@H]1O[C@@H](n2cnc3c(=S)nc(N)[nH]c32)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C 4895988 JYRIUPYSGARBLC-WLLUSJSYSA-N 509.585 2.303 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 6546600 DZSUQNZTYQCUPF-OAQYLSRUSA-N 520.571 2.373 0 40 KEAB COc1cc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2cc1OC 20084077 FBIPIOBHOKKSLZ-JOCHJYFZSA-N 521.578 2.427 0 40 KEAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)c1 44850541 CNZDTMBAZSOXGJ-UHFFFAOYSA-N 505.662 2.070 0 40 KEAB CC1=C[C@@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C/C(=O)OCC[C@@H](C)[C@@H](O)C(=O)OC[C@]2(CC1)[C@@]4(C)[C@@]31CO1 102888469 NLUGUZJQJYVUHS-BFLRZKGCSA-N 502.560 2.171 0 40 KEAB CCN1C[C@@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H](C[C@@H]23)[C@@H]14)[C@]5(O)[C@H]6OC 247943024 NWBWCXBPKTTZNQ-AXSANPOBSA-N 584.710 2.222 0 40 KEAB biogenic CC(C)n1cnc2cc(C(=O)N3CCC4(CC3)C[C@H](n3cnc5c(N)nc(N)nc53)[C@@](C)(O)CO4)ccc21 257248171 JCKMYYVNBKWLNR-DFBJGRDBSA-N 519.610 2.309 0 40 KEAB CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)N(C)CCOc2ccccc2)NC(=O)c2ccccc2OCCN(C)C1=O 643578628 BBGCIGRKFYGRCV-RPWUZVMVSA-N 538.645 2.094 0 40 KEAB Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCC(=O)O)C(C)(C)C)cc1 1777699106 YDOJYEPMGKGKQV-ZLWRCJDJSA-N 750.912 2.175 0 40 KEAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)Oc2ccccc21 22513520 FKWCBWPPMHXHFP-OAQYLSRUSA-N 509.606 2.036 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@H](C)n4nc(C(F)(F)F)cc4C)[C@H]3SC2)s1 38154883 PQWDWFMGUGKHFZ-FUEZOXIYSA-N 548.594 2.462 0 40 KEAB COc1ccc(N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 59838015 BCXDEDOWQSGIQK-UHFFFAOYSA-N 533.628 2.171 0 40 KEAB COC[C@@]12CC[C@H](OC)[C@]34[C@H]([C@@H]([C@H](OC)[C@H]13)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]3(O)C[C@@H]4[C@@H]1[C@H]3OC(=O)c1ccccc1)N(C)C2 100392695 REVYTWNGZDPRKE-WLYLQSQQSA-N 599.721 2.316 0 40 KEAB biogenic,in-vitro COc1ccc(OC)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 224216190 KUCSTFCWKBBSIV-UHFFFAOYSA-N 637.733 2.362 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 224987343 QDFGUXWSJHEYPM-UHFFFAOYSA-N 574.062 2.274 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 585274610 LKTHJHGBBTUUIX-NDEPHWFRSA-N 560.598 2.350 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)c(OC)c3)C2=O)cc1 12939689 YEICSEGONYWDBE-XMMPIXPASA-N 518.592 2.140 0 40 KEAB CCN1C(=O)/C(=c2\sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)c2ccccc21 97970768 RPGAIMGPAHMXGE-QKHXSWLYSA-N 550.644 2.355 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)cc1 103101625 ZDYWPGMSOTUEBU-UHFFFAOYSA-N 618.528 2.296 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224460255 JHPYRYWXMFWGSK-UHFFFAOYSA-N 565.714 2.245 0 40 KEAB Cc1ccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C)CC1 225573384 DFLFBFJBJBYPAT-UHFFFAOYSA-N 544.646 2.394 0 40 KEAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)OC)cc4)c(=O)n32)cc1OCC 408938075 RPCJVJSELKAIQI-VVNKCDPRSA-N 552.605 2.367 0 40 KEAB COc1ccc(CCNC(=O)[C@@H]2CCC(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)cc1 643572064 XLKZCNPNHFMLLW-FMYROPPKSA-N 649.789 2.305 0 40 KEAB COCc1nnc(NC(=O)CN2CC[C@@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)s1 1615124016 CPFCPPXALOZYQP-HJOGWXRNSA-N 596.754 2.304 0 40 KEAB COC(=O)c1cc(Br)c(=O)n(C[C@@H](C)n2cc(C(=O)OC)cc(Br)c2=O)c1 1321179 ZYXGVDWYURQGCC-SECBINFHSA-N 504.131 2.369 0 40 KEAB biogenic O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)Nc1ccc2c(c1)OC(F)(F)O2 2627472 BFELYFUERFJUMD-UHFFFAOYSA-N 518.878 2.478 0 40 KEAB COc1ccc([C@H](C(=O)NCCC(C)C)N(CCO)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC 6134121 WPOAQQYADGCHSL-XMMPIXPASA-N 528.585 2.221 0 40 KEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nc(O)c3nnn(Cc4ccccc4)c3n2)CC1 15987572 XUAJUEOSHILZFJ-UHFFFAOYSA-N 508.560 2.315 0 40 KEAB COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)c1 30872700 KAOARTUDTIFTJV-UHFFFAOYSA-N 519.605 2.308 0 40 KEAB COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)cc2O)cc1 97997837 OSPUWYWJNWIARF-MYHRABSESA-N 604.561 2.124 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 222844291 MUPXJSOTDCIMJO-OAHLLOKOSA-N 512.426 2.387 0 40 KEAB O=C([C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 247893684 ZGSPALURLQXTET-AREMUKBSSA-N 572.684 2.238 0 40 KEAB COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccnc2)ccc1OC(C)=O 409383153 RXBFIKLVIYAOJP-DQEYMECFSA-N 610.528 2.424 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccccc3C)CC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 585283742 UKMXEXXHPMJNMV-NDEPHWFRSA-N 533.616 2.205 0 40 KEAB COCCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)NCCCOc3ccccc3C(=O)N2)CC1 643570094 JPUBNZMYXQLMQB-WNJJXGMVSA-N 651.805 2.478 0 40 KEAB CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(F)cc2)CC(=O)N2CCC[C@H]2C1=O 643574673 JAKJMQOWNGQMPA-GGCFSWKVSA-N 657.743 2.242 0 40 KEAB O=C(CN1CCCCCOc2ccccc2N(CC(=O)N2CCC[C@H](O)C2)c2cncc(c2)C1=O)N1CCC[C@H](O)C1 643584612 HHAKOWFECJMGHD-UIOOFZCWSA-N 579.698 2.191 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)COc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4258491 FHAFYTMDIMBRQD-URYJJRPLSA-N 592.525 2.255 0 40 KEAB COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)c1 12715010 HAEWVYMYPYRHLQ-JXFKEZNVSA-N 513.576 2.418 0 40 KEAB CN1CCN(CCCNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)CC1 22829439 MOIKYAYDBGLLTR-UHFFFAOYSA-N 509.470 2.398 0 40 KEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccccc1F 30858577 DSAFEAWDQWLPRB-UHFFFAOYSA-N 507.569 2.273 0 40 KEAB C[C@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]43C)[C@@H]2[C@@]1(C)O 67912989 LARPFJIXBULVPK-LRSQPLAZSA-N 650.850 2.435 0 40 KEAB biogenic,in-vitro COC(=O)CCC[C@@H]1[C@@H]2SC[C@](NC(=O)c3ccccc3)(C2=O)[C@@]2(O)[C@@H](NC(=O)c3ccccc3)CS[C@H]12 100020852 KRLFWXIDUTYSLM-OVDPWNFFSA-N 554.690 2.458 0 40 KEAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222779316 FLSDIGZOCPCBCK-RDPSFJRHSA-N 580.103 2.452 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1 224261745 UYBPLHDYGBBEJW-LJQANCHMSA-N 544.095 2.327 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)o1 245229673 CXAOHDHPDYAOPF-DPLHUUCSSA-N 526.569 2.425 0 40 KEAB COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCOc3ccccc3C(=O)N2)cc1OC 643566885 YTQNHGCMTKTOLQ-UIOOFZCWSA-N 602.688 2.177 0 40 KEAB Cc1nc(C)n(CC(=O)N2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)n1 1615108491 UUSPEWIZIASGTM-UODIDJSMSA-N 548.688 2.103 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3164220 XYPJMKCARCANSP-UHFFFAOYSA-N 512.565 2.337 0 40 KEAB CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 12546834 XQVWNEFFNROZMG-UHFFFAOYSA-N 524.665 2.422 0 40 KEAB CCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCCCO5)C3=O)ccc21 12991444 NRFQLALZDUBMSE-RUZDIDTESA-N 513.572 2.210 0 40 KEAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)c1C 14357374 CDQDKMKLXTUANG-UHFFFAOYSA-N 516.547 2.484 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)CCCOc2ccc(Cl)cc2C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 195528837 LBSRZJUTWXANAX-YNTGQKLOSA-N 557.980 2.007 0 40 KEAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 224249645 PGSVTXXSDMFXCX-UHFFFAOYSA-N 541.717 2.255 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224306660 VXNIIGIUAIGYQS-UHFFFAOYSA-N 521.661 2.373 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 408979363 BYNUYGWFFWXENR-KGONEIDKSA-N 568.604 2.288 0 40 KEAB CC(C)N1CCCN(C(=O)c2ccccn2)c2cc(F)ccc2CN(C(=O)[C@H]2COCCN(S(=O)(=O)N(C)C)C2)CC1 643561534 QRPNFIWEBDTINX-XMMPIXPASA-N 604.749 2.065 0 40 KEAB COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1 643566099 VLTWLYSYPJUYLV-DQEYMECFSA-N 552.672 2.314 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOC[C@H]2CCCO2)CC(=O)N[C@@H](CC(C)C)C1=O 643585259 UIAJFKVSXWIXMT-VJTSUQJLSA-N 574.719 2.039 0 40 KEAB C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@]3(C)C(=O)C[C@]3(C)[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@@]43C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 1534688766 NSUQGQVHWQJWMJ-ZQEKNTKJSA-N 780.993 2.276 0 40 KEAB CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCOC)c2ccc(C)o2)cc1 6601061 PIWYLWUSDOBTEP-LJQANCHMSA-N 501.565 2.275 0 40 KEAB C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C)c1ccccc1 16026101 OIPATMUGKZSSKM-KJVSTRANSA-N 522.627 2.207 0 40 KEAB biogenic CCN(CC)CCN(C[C@@H](O)COCc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccc2c(c1)OCO2 22921086 GLEVTDAVJUFVMD-DNQXCXABSA-N 532.634 2.243 0 40 KEAB O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 29749298 DCGREELFOUCFBN-UHFFFAOYSA-N 529.644 2.165 0 40 KEAB CCOc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(F)c5)c4n3)CC2)c(OCC)cc1-n1cnnn1 100471664 BDKJOHJGJVYAJP-UHFFFAOYSA-N 624.659 2.456 0 40 KEAB CCCNC(=O)Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2cc(OC)c(OC)cc21 102523770 UZQHLISIRCLWQY-UHFFFAOYSA-N 534.569 2.278 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3F)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 103692736 YKEMJYWTAXGIRJ-VNGQLYDISA-N 576.526 2.419 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccccc4C)CC3)CC2)cc1 216482119 FXUZXJWPZDPJIX-UHFFFAOYSA-N 519.689 2.378 0 40 KEAB CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224501430 MBIMLVAESRHOLS-IBGZPJMESA-N 503.621 2.413 0 40 KEAB COC(=O)CSc1nnc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)s1 225505652 KNAKUSAVRXMHRV-UHFFFAOYSA-N 509.429 2.279 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225561666 PIAOYIQLWODWBG-UHFFFAOYSA-N 523.633 2.143 0 40 KEAB CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCOCC4)C[C@H]3C(=O)NC[C@H]1O2 253404960 RNPDRCQCEPQXJX-CFJXPYFLSA-N 570.731 2.359 0 40 KEAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccc(OCCCNC(=O)OC(C)(C)C)cc2)[C@@H](O)[C@@H]1O 257259770 KZXACYAGCKUNDC-UGESXGAOSA-N 555.636 2.017 0 40 KEAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)O)c(OC)c4)c(=O)n32)cc1OCC 408932151 BCSNTGZLIDTBQH-UTWPHBJQSA-N 568.604 2.288 0 40 KEAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)c1OCC(N)=O 409401751 ZOYOVXSSRANXBR-AUWJEWJLSA-N 522.308 2.184 0 40 KEAB COc1ccc(CCNC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1OC 9519657 WPWUNEGXFKACSB-UHFFFAOYSA-N 513.616 2.414 0 40 KEAB CCOc1cccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2NC(=O)CCCNC(C)=O)c1 9763614 FKPTYVDANPWIMW-JOCHJYFZSA-N 525.631 2.359 0 40 KEAB CCOC(=O)/C=c1\s/c(=C\c2ccc(OC)c(OCC)c2)c(=O)n1CC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 12634057 RWDMKFHQXCSUST-MAFYCUFZSA-N 516.660 2.430 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(=O)(=O)c2cc(OC)ccc2OC)c1 15305260 LRPCGQIDHXTFAY-ROUUACIJSA-N 514.622 2.289 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(OC(=O)C(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O 70665042 CMZZQMLGUMWKBW-JDLLUZBXSA-N 606.717 2.440 0 40 KEAB biogenic CCOC(=O)C1=C(COC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)NC(=O)N[C@H]1C 101010302 STFBVIYPTBFLSC-HNNXBMFYSA-N 529.571 2.122 0 40 KEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 226058044 AGULCNKTJNAEJZ-UHFFFAOYSA-N 523.677 2.158 0 40 KEAB CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)OC[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@H](C)CC)[C@H](C)CC 252516954 YJXRPXBRYBCYRH-BBFQIFGBSA-N 764.903 2.414 0 40 KEAB biogenic,in-vitro CC(=O)Nc1ccc(CN2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(-c5cnn(C)c5)ccc4C(=O)N3)CC[C@@H]2O)cc1 514287685 YEJDSDYEEPUNJA-NZFNEECCSA-N 616.719 2.226 0 40 KEAB C[C@]1(N(CCNS(=O)(=O)c2cccc3cccnc23)S(=O)(=O)c2cccc3cccnc23)CCS(=O)(=O)C1 575426361 RWVJZHRVYTYTJZ-VWLOTQADSA-N 574.706 2.329 0 40 KEAB CC1(C)NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O 643576000 BWBKGSWLZWWAJB-VMPREFPWSA-N 662.832 2.078 0 40 KEAB O=C(Nc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1)c1ccc(F)cc1 13150639 AOPNKWSEANVPPA-UHFFFAOYSA-N 503.494 2.309 0 40 KEAB COCCN(C(=O)COC(=O)c1oc2ccc(OC)cc2c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38140449 ANQPLZSPHHBHGB-UHFFFAOYSA-N 536.541 2.067 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 103567065 LVMHPRIXWLGHEH-YVVITCHPSA-N 582.679 2.169 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccn4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 103692623 TUJBDTAESXDYIX-ZQXYJURASA-N 569.519 2.317 0 40 KEAB CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)c2C(N)=O)C1 248125868 ORWQPEFVRZKMMN-MRXNPFEDSA-N 506.650 2.277 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409388507 LWUKOBXBNFHPKH-MRJHHRETSA-N 537.619 2.140 0 40 KEAB CCC(CC)NC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1 643582557 KVESUNRFQPGLNP-GOTSBHOMSA-N 508.619 2.058 0 40 KEAB CN1C(=O)N(C)C(=O)C(Cc2ccc(Br)s2)(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O 2125638 SPXWYAWUBDUHAB-HUUCEWRRSA-N 533.448 2.371 0 40 KEAB O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)Nc1ccc(C(=O)O)cc1 16044768 ZWBOZGBAJJCADQ-UHFFFAOYSA-N 504.546 2.187 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)COc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 70665117 FHAFYTMDIMBRQD-RKJAVHAZSA-N 592.525 2.255 0 40 KEAB Cc1c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n(C)c3nc2n1CCN1CCOCC1 96306507 UKGIQJBSNKLSBV-UHFFFAOYSA-N 505.406 2.454 0 40 KEAB Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)o1 100274958 AXUSWUCYFWVKBF-YCRPNKLZSA-N 541.586 2.180 0 40 KEAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)NCCNC(=O)COC(=O)COc1ccc(Cl)cc1C 103107443 VNNWVXCEPRUDBF-UHFFFAOYSA-N 541.384 2.387 0 40 KEAB COc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1S(=O)(=O)N1CCOCC1 222919345 CFNJCRGAOIJTTD-VWLOTQADSA-N 551.621 2.440 0 40 KEAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1S(=O)(=O)N1CCOCC1 225551088 RZHLMTNLBIAJFG-KRWDZBQOSA-N 558.078 2.409 0 40 KEAB COc1ccc(OC)c(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 225687493 SYJFWIGUETWWOY-IBGZPJMESA-N 505.637 2.454 0 40 KEAB COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc(C(=O)OC)c1 408584849 VWLSGXXVVURIPL-UHFFFAOYSA-N 520.560 2.316 0 40 KEAB NS(=O)(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2Cl)cc1 409251749 BIYIMYONLUVVBT-UHFFFAOYSA-N 509.993 2.483 0 40 KEAB COc1cccc(CCNC(=O)[C@@H]2CC(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)c1 643574608 DKXBYXKETLWKAQ-RDAHNBDFSA-N 669.779 2.112 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1[C@]3(C)CC[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C 1857777789 RWXIFXNRCLMQCD-SKSZQJOSSA-N 785.025 2.149 0 40 KEAB Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c12 19941527 WIFGNIXYWDUZSB-XXBNENTESA-N 503.563 2.142 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 59838916 GJBJRBWJNAACQZ-UHFFFAOYSA-N 531.656 2.153 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N(C)Cc1nc(-c2cccs2)no1 222706420 WNLSVAHRQULDIX-UHFFFAOYSA-N 506.606 2.419 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 224023302 QKELPGTZKQGIQF-KRWDZBQOSA-N 507.609 2.032 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 224330681 AYWKVMOLOSQKMM-UHFFFAOYSA-N 521.661 2.455 0 40 KEAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1F 224336626 INFHGSIPOUOMSA-UHFFFAOYSA-N 527.640 2.352 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccccc2OCc2ccccc2)[C@H](OC(C)=O)[C@H]1OC(C)=O 245267385 LLLNTXZITKTKCA-ZPLZDBFASA-N 557.552 2.079 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(C(=O)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]34C(=O)O)C2(C)C)[C@H](O)[C@H](O)[C@@H]1O 253501122 ZCBRYYRPNSHPER-BAXNBWDSSA-N 794.976 2.409 0 40 KEAB biogenic,in-vitro COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)CC1=O 408658839 RPFKLJBJFIQHMT-GOSISDBHSA-N 541.557 2.192 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 409115863 LFKOJRBPEFAUEC-KEPZKYLNSA-N 549.605 2.171 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@]1(O)[C@H]2OC 606302937 NWBWCXBPKTTZNQ-GSODTALTSA-N 584.710 2.222 0 40 KEAB biogenic CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O 2037916286 SZJSFOORECKXDV-VMPREFPWSA-N 646.716 2.463 0 40 KEAB O=C(COC(=O)C[C@@H]1Oc2ccccc2NC1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 12769182 SYXNKHNURYUAIR-IBGZPJMESA-N 507.952 2.396 0 40 KEAB CCN(CC)CCN(C[C@H](O)COCc1ccc2c(c1)OCO2)C[C@H](O)COCc1ccc2c(c1)OCO2 22921097 GLEVTDAVJUFVMD-ZEQRLZLVSA-N 532.634 2.243 0 40 KEAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)c(C)c1 59838701 UFGPZCCXDKOJQS-HSZRJFAPSA-N 549.715 2.350 0 40 KEAB CO[C@@H]1[C@H](O)[C@@H](O[C@H]2C[C@@H](O)[C@@]3(C)[C@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@H](C)[C@@H]1O 67902570 DKYDBQQIQAPGMH-KJEWLKFESA-N 550.689 2.081 0 40 KEAB biogenic,in-vitro CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OCC)cc1 100877479 ROSCROMERWDAQV-LCUIJRPUSA-N 582.726 2.465 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 140373438 OMBHPBUURFXFLW-QFIPXVFZSA-N 565.714 2.329 0 40 KEAB COC(=O)CSc1nnc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)s1 225386415 IOIOIEJLKQCVME-UHFFFAOYSA-N 507.000 2.361 0 40 KEAB C[C@H](CC(=O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@](C)(C(=O)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@@H](O)C[C@@H](O)[C@@]4(C)[C@@H]3CC[C@@]12C 253623427 NIINJHJECORGKU-ACDFBWGWSA-N 666.849 2.099 0 40 KEAB biogenic,in-vitro COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 6136223 PHJZQTTXOFOAPO-QHCPKHFHSA-N 562.608 2.294 0 40 KEAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N[C@@H](CCC(=O)O)C(=O)O)(c2ccccc2)CC1 8790795 VYKQMZNBMLWTFJ-PMACEKPBSA-N 531.606 2.381 0 40 KEAB biogenic NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 20032573 IABYGRVMJZPUKG-UHFFFAOYSA-N 515.613 2.171 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](n2nc(N3C(=O)c4ccccc4C3=O)c3ccccc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O 103219360 UWMUWOPRCFCWED-YGWSKSRPSA-N 521.482 2.161 0 40 KEAB O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2O1 222711808 TZJBCYGERBBIFF-MHZLTWQESA-N 565.648 2.239 0 40 KEAB CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(CC4CCCCC4)C[C@H]3C(=O)NC[C@H]1O2 253408390 XTNRFYLYCXAFMR-CFJXPYFLSA-N 526.678 2.344 0 40 KEAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n32)cc1OCC 408937355 QKQDITKGMUMTHZ-FCKOQQNDSA-N 539.610 2.245 0 40 KEAB COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)N5CCOCC5)c(OC)c4)c(=O)n32)c1 409176205 YSNBNPJTDRRCQT-DRBQYUEGSA-N 651.738 2.450 0 40 KEAB CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4cnc[nH]4)C[C@H]3C(=O)NC[C@H]1O2 514287403 WYOVVBUSOFDXIU-GEMTWJNPSA-N 566.703 2.104 0 40 KEAB Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)NCCCOc3ccccc3C(=O)N2)n1 643566230 VQVARSKLZPUEJW-SFTDATJTSA-N 543.690 2.119 0 40 KEAB CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2CN(CC4CCCCC4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1 1534611614 BCGFEKUCANUMRN-WEWMWRJBSA-N 548.750 2.009 0 40 KEAB C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2[C@]1(C)O 1903857767 LARPFJIXBULVPK-HGYWMTBYSA-N 650.850 2.435 0 40 KEAB biogenic O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(NS(=O)(=O)c2cccs2)cc1 12600477 GVOCMCKRMUQBLN-UHFFFAOYSA-N 503.558 2.283 0 40 KEAB CO[C@H]1C[C@H](O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O 67911417 WPKQVDYSPWCVGM-ZNDDOCHDSA-N 550.689 2.227 0 40 KEAB biogenic COCCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)sc(C(N)=O)c1C 103059799 ZDAXPTVLTSGBKP-LLVKDONJSA-N 596.467 2.114 0 40 KEAB CCOc1ccc(-n2c(O)c(C(c3ccccn3)c3c(O)n(-c4ccc(OCC)cc4)c(=O)[nH]c3=O)c(=O)[nH]c2=O)cc1 103770532 JAFYKMIQCAGTRM-UHFFFAOYSA-N 585.573 2.149 0 40 KEAB CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@@](C)(OC(=O)c1ccoc1)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@]4(C)O 299817757 RZVUCQZHOKQLFV-NKVWGZNUSA-N 967.883 2.322 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408985656 OHLLZZJDTHUUKF-LWRBDHNKSA-N 568.604 2.288 0 40 KEAB CCOC(=O)c1cc(C)nc2c1c(=O)n(-c1ccccc1)c(=O)n2CCCCN1CCN(c2ncccn2)CC1 5822892 GIOYYUIAQGOYMQ-UHFFFAOYSA-N 543.628 2.425 0 40 KEAB CC(C)C[C@H](NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 12393277 XNJISPIGUVSARX-RJGXRXQPSA-N 522.602 2.058 0 40 KEAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 20032620 LPMYICOYGYCRNK-UHFFFAOYSA-N 509.650 2.245 0 40 KEAB CCCCN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O 24752259 PEQVAKRZPPOVQU-LJQANCHMSA-N 529.638 2.160 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCOCCOCCOCC2)cc1 39988377 DUDJNYRIVVEPFB-RUZDIDTESA-N 515.632 2.258 0 40 KEAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1F 67890434 NYDXBJOHDBCTDE-CLAROIROSA-N 530.494 2.417 0 40 KEAB biogenic,in-vitro O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc(O)ccc1Cl 67890449 XXIKGQHUGFOHCC-CLAROIROSA-N 529.943 2.106 0 40 KEAB biogenic,in-vitro Cc1ccnc(N2CCN(C[C@@H](O)COc3ccc(OC[C@H](O)CN4CCN(c5cc(C)ccn5)CC4)cc3)CC2)c1 101325739 DZCRYCKXHRGKCQ-VSGBNLITSA-N 576.742 2.217 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 222847483 MUNRLAFPFWVAOI-HNNXBMFYSA-N 559.426 2.229 0 40 KEAB Cc1nc2ccccc2n1CCC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c(N)ncnc31)CO2 257224278 FBCPAKHGVKNFKI-CJFMBICVSA-N 504.595 2.231 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)C)c1 260771395 WFSWUFVMUWAMAJ-GOSISDBHSA-N 508.616 2.389 0 40 KEAB COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN(C)CC2(C)COC2)c1 643550268 AXEVMDTWPBKGKL-YRMRDQOQSA-N 621.816 2.201 0 40 KEAB CC(=O)Nc1ccc2c(COC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc(=O)oc2c1 2635605 GSYYYPOOYBBHBG-UHFFFAOYSA-N 514.556 2.448 0 40 KEAB CN(C(=O)COC(=O)c1ccccc1NCc1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23080596 WHAOUNFRXYJBIU-UHFFFAOYSA-N 503.515 2.192 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC 100277289 DQYXSYPHHKMFLD-IRPSRAIASA-N 625.702 2.084 0 40 KEAB O=C1C[C@@H](Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)C(=O)N1c1ccc(F)cc1 102921609 WGBKPRMVIORCIT-GOSISDBHSA-N 518.548 2.321 0 40 KEAB O=C(CN1C(=O)S/C(=C/c2cc(I)cc(I)c2O)C1=O)N1CCOCC1 214278021 NEQSRJVTXRLVJN-WUXMJOGZSA-N 600.172 2.497 0 40 KEAB CC1(C)NC(=O)C[C@@H](C(=O)NCCc2ccc3c(c2)OCCO3)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O 643568025 GWULVMHUALKBCC-RSXGOPAZSA-N 614.699 2.320 0 40 KEAB COc1cc([C@H](c2c(O)n3c(nc2=O)SCCC3)c2c(O)nc3n(c2=O)CCCS3)ccc1O 13775546 XLRRLZBZJWOJAZ-AWEZNQCLSA-N 502.574 2.097 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1 20031635 FSWNSUZXNWAZGP-QHCPKHFHSA-N 519.620 2.282 0 40 KEAB COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2c1 20080279 FBEPRNQQINPXNP-RDGATRHJSA-N 517.590 2.319 0 40 KEAB Cc1cccc(N2CCN(C(=O)CN3N=C(c4nc(-c5ccc6c(c5)OCO6)no4)CCC3=O)CC2)c1 72329735 LUIRPWUETAWZJF-UHFFFAOYSA-N 502.531 2.449 0 40 KEAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 96018729 AKWOULSEQUQCTK-SANMLTNESA-N 542.614 2.428 0 40 KEAB COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1cccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)c1 103677720 OGRQOXXUZIKSML-WMMKJPHVSA-N 566.394 2.394 0 40 KEAB COc1ccccc1N(CCCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)S(C)(=O)=O 222758354 XYFOLFLEJAIOCN-UHFFFAOYSA-N 509.650 2.083 0 40 KEAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O 224367311 MAGUVOMIDBHPPP-UHFFFAOYSA-N 560.094 2.484 0 40 KEAB CC(C)C[C@@H]1OC(=O)[C@@H]2CCCN2C(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)N(C)C1=O 253388171 RPJBXUNEXVNBIF-DDAAUBIUSA-N 655.837 2.149 0 40 KEAB biogenic,in-vitro Cn1c(=O)n(C)c2cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)ccc21 409146779 UYZZLAFFCZIMBT-KGENOOAVSA-N 507.572 2.389 0 40 KEAB CC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCCn1ccnc1)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 1547212376 AAJHCIGYCZMNGR-HWRXOPEZSA-N 500.603 2.374 0 40 KEAB COCCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC 6904968 MRTBPJZKXDUFLR-LJQANCHMSA-N 501.540 2.123 0 40 KEAB Cc1c(CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)O)c(=O)oc2c(C)c(O)ccc12 12881413 FBADLCOYTSJECJ-NRFANRHFSA-N 505.527 2.458 0 40 KEAB biogenic O=C(CCS(=O)(=O)c1ccccc1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 25748425 KGHCMNKDPJTMHX-UHFFFAOYSA-N 500.646 2.372 0 40 KEAB CCCCN1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 67337758 LFMQEOOEMCOVFF-UHFFFAOYSA-N 509.076 2.142 0 40 KEAB CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O 70712210 DCNCLUWIZKDKJI-LBRNTXKHSA-N 599.062 2.279 0 40 KEAB biogenic CCOC(=O)c1ccc(NC(=O)Cn2c(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c3sccc32)cc1 97986818 JSGMDITVQLFGOK-UHFFFAOYSA-N 594.646 2.416 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 224547128 QQIKUWBLAFASBQ-NRFANRHFSA-N 508.616 2.391 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 225452093 YLFFUQMQIDOZKX-HNNXBMFYSA-N 542.452 2.396 0 40 KEAB C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O)C[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@@H]4CC[C@]3(C)[C@]1(O)[C@H]2C 254700193 HVNSMSNIQCASPS-IWKUQKMGSA-N 578.743 2.263 0 40 KEAB biogenic,in-vitro COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 1098564 VZNJYPJBSSYETB-IYMWYRQMSA-N 539.013 2.261 0 40 KEAB CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 9519768 JXFYZSCLJNVMJR-UHFFFAOYSA-N 513.572 2.089 0 40 KEAB O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccccc1)Nc1nccs1 11852282 XJUZOZBGADRMQO-UHFFFAOYSA-N 599.720 2.406 0 40 KEAB CCCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 102921191 ZIYHIXASAGFCBC-UHFFFAOYSA-N 538.070 2.437 0 40 KEAB O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(N3C(=O)c5ccccc5C3=O)C4=O)cc2C1=O 150397470 WZNNMWHECQMIJP-UHFFFAOYSA-N 646.549 2.134 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 222855235 WMALPQKWFFUWBD-QGZVFWFLSA-N 505.593 2.133 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224577445 RPUUTUPMXWJHSY-FQEVSTJZSA-N 505.593 2.133 0 40 KEAB COc1cc(C)ccc1OCCNC(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1 643578928 JVIOZZARFDRKGY-XZOQPEGZSA-N 568.671 2.069 0 40 KEAB Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(Cc3cc(-c4ccccc4)no3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O 1548890178 MOQHFCRDVKOQOX-BVAGGSTKSA-N 633.731 2.195 0 40 KEAB CN(C(=O)COC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12875074 HNSGXBOQGLDEEF-FMIVXFBMSA-N 502.449 2.405 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(=O)[nH]c1=O 13009445 KRUHKRZVYHWQFD-PUAOIOHZSA-N 504.632 2.045 0 40 KEAB Cn1cc(P(=Nc2ccccc2)(N2CCOCC2)N2CCOCC2)cc1P(=O)(N1CCOCC1)N1CCOCC1 97984864 CJJWWXNAFDELDM-UHFFFAOYSA-N 592.618 2.161 0 40 KEAB CC(C)[C@H]1NC(=O)C2=CN(Cc3ccccc3)C=C[C@H]2NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC(=O)C2=CN(Cc3ccccc3)C=C[C@H]2NC(=O)[C@H](C)NC1=O 150422879 GGXKAYMHZWWWNE-NQSVXQBPSA-N 764.928 2.087 0 40 KEAB CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 255262107 RCCBQPYIPSPBFI-GWIVOYSISA-N 780.993 2.316 0 40 KEAB biogenic,in-vitro COCCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccccc1Cl 2244376 MSIPWYIZZGMAKK-AGGMBTAESA-N 523.998 2.425 0 40 KEAB CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O 4066728 UDQCJOWXMPDCJZ-WIHCDAFUSA-N 741.846 2.455 0 40 KEAB CC(C)C(=O)OC[C@@H]1O[C@@H](n2cnc3c(=S)nc(N)[nH]c32)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C 4895986 JYRIUPYSGARBLC-ADOMEBDSSA-N 509.585 2.303 0 40 KEAB CCS[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(=S)[nH]cnc21 5665562 WHXVJAUADCEEAT-OYRIPWCXSA-N 514.582 2.099 0 40 KEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCC(=O)N1[C@H]1OC(=O)c2c1ccc(OC)c2OC 12662145 AXVDXTFGRBBDAA-CMJOXMDJSA-N 514.487 2.306 0 40 KEAB biogenic CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)cc1Cl 20032223 FLNACENTZZYEJO-UHFFFAOYSA-N 516.041 2.103 0 40 KEAB COC(=O)C[C@@](O)(CCC(C)(C)O)C(=O)O[C@H]1C(OC)=C[C@@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4 26892384 HAVJATCHLFRDHY-ACWWYGLDSA-N 531.602 2.191 0 40 KEAB biogenic,in-vitro COC(=O)[C@H](O)[C@@](O)(CCC(C)C)C(=O)O[C@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4 38140850 CAOHZEUEVKYHPF-NKILSJRUSA-N 531.602 2.047 0 40 KEAB COCCN(C(=O)COC(=O)c1cc2ccccc2cc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38152796 WQRKFGQDUXTKFI-UHFFFAOYSA-N 532.553 2.165 0 40 KEAB CCOC(=O)C1=NO[C@@H]2[C@H]1[C@@H]1C[C@@H]2[C@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]12 100924295 OXPDVIMGYINVSJ-WFAHMMBDSA-N 500.861 2.351 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)NCc1ccc3c(c1)OCO3)n2C 103054933 JPLFRHNWCFZBHD-UHFFFAOYSA-N 530.603 2.125 0 40 KEAB CCN1CCN(CC(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)CC1 257308478 TWVXBZUTERGFAF-MHZLTWQESA-N 520.118 2.129 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)o1 888585 CXAOHDHPDYAOPF-IMSXRSKXSA-N 526.569 2.425 0 40 KEAB COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 6905111 DRAFTXMJGOWHNR-NRFANRHFSA-N 543.602 2.001 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)NCc3ccccc3Cl)CC2)cc1 13112230 RFVWITAOGKZUAN-UHFFFAOYSA-N 522.023 2.121 0 40 KEAB CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO[P@@](=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O 100154700 SAHCQBPGXQFTRA-MTWZWZNHSA-N 596.651 2.024 0 40 KEAB biogenic,in-vitro COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3ccc(OC(F)F)c(OC)c3)c(=O)n12 100935947 GNWJSWHLZQCMAD-GNWAQRSOSA-N 502.495 2.469 0 40 KEAB COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1 103677771 CJIALWJKWYIUOU-WMMKJPHVSA-N 566.394 2.394 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 225456090 UEMRHOIGSCVVAS-HNNXBMFYSA-N 512.426 2.387 0 40 KEAB CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c3ccccc23)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 253475956 AQBUEVUUOYUTIV-VLRNEXPMSA-N 547.538 2.043 0 40 KEAB Nc1cccc(C(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)n1 643577584 BGLZPJAKQASCLP-BJKOFHAPSA-N 510.635 2.227 0 40 KEAB NC(=O)CC[C@@H]1NC(=O)CC[C@@H](C(=O)N2CCC(Oc3ccccn3)CC2)NC(=O)CCCCCCCCCCNC1=O 643584891 MFAVOVKFNYCPES-DQEYMECFSA-N 600.761 2.107 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6546797 ZXDKWEZLTZHOJO-HXUWFJFHSA-N 529.550 2.039 0 40 KEAB CCOC(=O)/C=c1\s/c(=C\c2ccc(OC)cc2OC)c(=O)n1CC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 16044286 WZUFIDFJMAVUPY-KAEJYWIVSA-N 502.633 2.040 0 40 KEAB COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)NCCc1ccccc1 59852331 XKEDBUFPSNNIFC-UHFFFAOYSA-N 573.693 2.167 0 40 KEAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222861539 CGRRJNWXOCHKKN-XXBNENTESA-N 505.612 2.300 0 40 KEAB Cc1cccc(C)c1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O 224367947 QBIJUBHTPVQOQR-UHFFFAOYSA-N 523.677 2.439 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)C)c1 225662546 WFSWUFVMUWAMAJ-SFHVURJKSA-N 508.616 2.389 0 40 KEAB CCOC(=O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@H](c3ccc(OC)c(OC)c3)c3sc(=O)[nH]c3S[C@H]12 245245393 ILIWIHNLKASJOV-ZIYGHJJUSA-N 530.624 2.490 0 40 KEAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408684965 KPZKIDWEWGIEEF-PDVDRFNYSA-N 502.523 2.373 0 40 KEAB COc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1O 409065049 FWCCTJDNOLPBEF-UHFFFAOYSA-N 557.448 2.288 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3cccc(C)c3)CC2)C[C@](O)(COc2cccc(F)c2)C1 585284361 XICPUEZBJUUBRC-MUUNZHRXSA-N 515.626 2.066 0 40 KEAB Cc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643580827 WFZAGSGAGFWWNF-DQEYMECFSA-N 552.672 2.451 0 40 KEAB O=C(Cc1ccc2c(c1)OCO2)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1 1615104439 FFXYVSFSGBETNJ-LOSJGSFVSA-N 553.656 2.303 0 40 KEAB COC(=O)C1CCN(C(=O)COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)CC1 2652481 ZCUNWQPSOFKPRZ-UHFFFAOYSA-N 530.599 2.405 0 40 KEAB CCCN(C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)[C@@H]1CCS(=O)(=O)C1 13009925 DQTVLCZQOSFPMB-HSZRJFAPSA-N 519.689 2.232 0 40 KEAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 22230107 BXTYAALFBOOUQN-OAQYLSRUSA-N 501.605 2.230 0 40 KEAB CCC[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 49722974 BBAWEDCPNXPBQM-USXSPERKSA-N 679.863 2.446 0 40 KEAB in-vitro CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70701084 MOACEERMVFCHBM-ZMVGRULKSA-N 520.586 2.080 0 40 KEAB biogenic COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1OC 100277537 LBSAIQUTRGSPBD-SWYRRKHMSA-N 568.631 2.303 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 222797988 ZNICXUAQQSWVHH-OAHLLOKOSA-N 512.426 2.387 0 40 KEAB COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]5OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)cc3O2)cc1OC(C)=O 247896769 CZEMXLAKEGUZBI-YUWOHECFSA-N 904.824 2.488 0 40 KEAB biogenic,in-vitro Cc1ccc(C)c(S(=O)(=O)NCCN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(C)ccc2C)c1 575425460 ZCRGSMRJRWHHNI-HXUWFJFHSA-N 514.691 2.077 0 40 KEAB O=C(CN1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1)N1CCN(c2ccc(F)cc2)CC1 643555164 VDBAIYCLJKCILQ-GDLZYMKVSA-N 524.637 2.467 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccccc1OC 13133353 PBURDTQAZNNQHP-CEMPLAKHSA-N 508.552 2.270 0 40 KEAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 13141793 TXNONSGNBHFNET-XXBNENTESA-N 503.602 2.447 0 40 KEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc4c(c3)OCO4)S(C)(=O)=O)cc2)n1 60028342 BOMKFFXOEDDXMA-UHFFFAOYSA-N 547.615 2.499 0 40 KEAB O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)CC2)cc1)N1CCCC1 100446136 TVSVZHCUASTXRM-UHFFFAOYSA-N 601.686 2.467 0 40 KEAB CSc1ccc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)cc1C(=O)N1CCOCC1 224736172 MIHTVMHPDKGNPV-UHFFFAOYSA-N 505.662 2.192 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)N(C)CCOc2ccccc2)NC(=O)c2ccccc2OCCN(C)C1=O 643580735 SLYJEERPLNWQOZ-DQEYMECFSA-N 552.672 2.484 0 40 KEAB O=C(COc1ncnc2c1cnn2-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2620163 ZJBRIFAVTGXNLV-UHFFFAOYSA-N 512.979 2.381 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(=O)[nH]c1=O 12913354 ITTJXKZPYGKRFF-UHFFFAOYSA-N 505.641 2.009 0 40 KEAB COC(=O)c1ccc(OC[C@@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1 22791651 DPCXHBGJTIXRAZ-QFIPXVFZSA-N 517.582 2.280 0 40 KEAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 57313722 QDQWQHSUBGVRGP-UHFFFAOYSA-N 502.593 2.378 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(OC(C)=O)cc2)CC3=O)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 96316261 XTFVLYRMZHVXMC-DZEYQGIVSA-N 874.798 2.479 0 40 KEAB biogenic,in-vitro CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4cccc(S(N)(=O)=O)c4)cc3C2=O)cc1 103137709 BSTSQQUBHKPORH-UHFFFAOYSA-N 523.523 2.329 0 40 KEAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222864083 RDULMSGPLFJKLG-QHCPKHFHSA-N 521.595 2.226 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409039335 GGMOJJXGNIQMHN-NYIUWGNGSA-N 537.594 2.144 0 40 KEAB CC(C)[C@H]1C(O)=Nc2ccccc2N1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O 9171312 WHWBYXWGMLZPCA-JQVVWYNYSA-N 509.563 2.275 0 40 KEAB CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 12653388 VYBNFAIXPSLVAA-QHCPKHFHSA-N 512.010 2.020 0 40 KEAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 59838883 KJCXVEOMUYZRPI-UHFFFAOYSA-N 539.651 2.336 0 40 KEAB C[C@@H]1O[C@@H](O[C@@H]2C[C@H](c3ccc4c(c3O)C(=O)c3ccc5c(c3C4=O)C(=O)C[C@](C)(O)C5)O[C@H](C)[C@H]2O)CC[C@@H]1O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1 83922248 RVYIFZVNJLDNAV-VSYBRGMMSA-N 696.746 2.410 0 40 KEAB in-vitro C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1=O 96019784 WPLUCINDFYBZPK-AREMUKBSSA-N 542.564 2.418 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1N 100272766 TVJAGRCFIHEMLS-DJJJIMSYSA-N 529.600 2.298 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Br)cc1 102100709 PDTBYBOLFRQENI-NRFANRHFSA-N 532.414 2.066 0 40 KEAB O=C(c1ccc2c(c1)OCO2)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1 643579250 YOMOTHHDUBXAPR-BJKOFHAPSA-N 539.629 2.374 0 40 KEAB CC(C)(C)NC(=O)CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2 6074336 XAVTWFJOFAKKPA-PGUFJCEWSA-N 505.568 2.232 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1 6547112 QXURCEGFCUIHFY-NRFANRHFSA-N 525.587 2.209 0 40 KEAB NS(=O)(=O)c1cccc(NC(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)c1 25394506 VMFLGQOEQSUFNA-UHFFFAOYSA-N 506.569 2.412 0 40 KEAB Cc1noc(CCCn2c(=O)c3cc4c(cc3n(CC(=O)NCc3ccccc3Cl)c2=O)OCO4)n1 62728297 RWXYDASDOMBQJH-UHFFFAOYSA-N 511.922 2.186 0 40 KEAB Cc1cnn([C@H](C)[C@H](C)N(CCNS(=O)(=O)c2ccccc2)CCNS(=O)(=O)c2ccccc2)c1 69706176 HACGYWPEHPNBHC-FCHUYYIVSA-N 519.693 2.400 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 100955096 GAXSDVMYRKMXAR-LZPKFASSSA-N 544.509 2.085 0 40 KEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 103042480 YHUIJGSJSMLZBK-HMMYKYKNSA-N 558.638 2.122 0 40 KEAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCO)c1ccccc1)Cc1ccccc1 223441784 WUMTUCYQIKYPQP-AREMUKBSSA-N 527.618 2.466 0 40 KEAB CN(C)c1nccc(C2CN(C(=O)CN3CCC4(CCCCc5ccccc5OCCNC4=O)CC3)C2)n1 643558205 HLZUHWZNYSOSJU-UHFFFAOYSA-N 520.678 2.472 0 40 KEAB CC(C)=CCC[C@](C)(O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C[C@@]12C 2061001112 VHVHTNGBFJFMJS-DZXMIKQLSA-N 785.025 2.149 0 40 KEAB O=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 3871640 XYUFCXJZFZPEJD-XMSQKQJNSA-N 550.520 2.146 0 40 KEAB biogenic,in-vivo CC(C)CN(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@@H]1CCS(=O)(=O)C1 12938040 PKDYQEMWNHVJTM-CQSZACIVSA-N 501.026 2.499 0 40 KEAB CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1 100957087 IPDJJFGDYLXFRF-UHFFFAOYSA-N 539.500 2.209 0 40 KEAB CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H]1O 118923233 MABTYQWWFMMYTE-QQRQPMRCSA-N 550.689 2.225 0 40 KEAB CCOC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@]4(O)C[C@@H](OC(C)=O)C[C@@H]5OC(C)(C)OC[C@]54[C@H]3[C@H](O)C[C@]12C 123308442 LGDAHNTXQYCQII-DTLJZALHSA-N 510.624 2.082 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 211547131 CNNXBNAKPOIAQM-AGIMELGASA-N 508.552 2.270 0 40 KEAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 224321225 DUVJQPRERNVVBT-UHFFFAOYSA-N 502.014 2.305 0 40 KEAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 224487739 NSFQJDPMHUPUIC-UHFFFAOYSA-N 593.646 2.468 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(C)cc43)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 409118732 NVBOMSOHWDAJFQ-KEPZKYLNSA-N 549.605 2.455 0 40 KEAB C[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC(=O)N1 643559581 YUIHXTLCVQOFLV-AWEZNQCLSA-N 515.920 2.491 0 40 KEAB COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC 643565132 BURSGFMPSJTWMS-BJKOFHAPSA-N 582.698 2.323 0 40 KEAB CC(C)[C@@H]1C(O)=Nc2ccccc2N1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O 9171307 WHWBYXWGMLZPCA-NNMXDRDESA-N 509.563 2.275 0 40 KEAB biogenic Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1 27571004 OSBYPIINSILNLQ-HMAPJEAMSA-N 501.543 2.340 0 40 KEAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 103087917 DUGMWRVAQLBEEH-UHFFFAOYSA-N 586.088 2.331 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCc4ccc5c(c4)OCO5)C(=O)N23)cc1 150406932 XOPXGWXBPUWZIE-DEOSSOPVSA-N 662.750 2.210 0 40 KEAB C[C@@H](C(=O)NCc1ccncc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222702933 AXWUDZHROUQDDR-QFIPXVFZSA-N 552.653 2.215 0 40 KEAB COCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 222744104 PUTFSQSZPAITMC-AREMUKBSSA-N 553.637 2.143 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 222794636 ZZQHFBZGQXNCKE-OAHLLOKOSA-N 512.426 2.387 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccc4OC)CC3)C2)cc1OC 408557240 FVKSLPZYDOCRBB-LJQANCHMSA-N 503.621 2.462 0 40 KEAB Cn1c(=O)c2c(nc(SCC(=O)NCc3ccc4c(c3)OCO4)n2Cc2ccc(Cl)cc2)n(C)c1=O 798858 JWQBRODQDUIZCH-UHFFFAOYSA-N 527.990 2.273 0 40 KEAB COc1ccc([C@@H](C(=O)NCCC(C)C)N(CCO)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC 6134427 WPOAQQYADGCHSL-DEOSSOPVSA-N 528.585 2.221 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 13134769 FKGUZDXQWSHIME-UHFFFAOYSA-N 523.633 2.143 0 40 KEAB CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)sc(C(=O)N(C)C)c1C 14129452 BOFPORRMHNXQMI-DEOSSOPVSA-N 514.560 2.103 0 40 KEAB O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59852260 KGHLMTIXZNOJSY-UHFFFAOYSA-N 571.721 2.478 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CCSC)C(=O)O 70707476 RAFSARHBQPWJQX-ZMVGRULKSA-N 554.669 2.327 0 40 KEAB biogenic O=S(=O)(c1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1)N1CCOCC1 97948701 FWCHSSUHZIPFAL-UHFFFAOYSA-N 595.588 2.235 0 40 KEAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)S(C)(=O)=O 100088860 BMRVJUYMQGTPQX-QGZVFWFLSA-N 530.068 2.345 0 40 KEAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NO[C@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]12 100354656 ZLARCTCFRSFFAA-AUSIDOKSSA-N 530.493 2.491 0 40 KEAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4cccc(C(F)(F)F)c4)cnc32)cc1 101008280 YZGBBVXKJHWWKV-UHFFFAOYSA-N 548.547 2.340 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223753479 BDRNRBDAWCSFMA-MRXNPFEDSA-N 510.012 2.431 0 40 KEAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)c(Cl)c1 226082886 DBZUQXTVYIMMJC-UHFFFAOYSA-N 506.968 2.341 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccccc3F)CC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 585282123 HCQBFTRZDQMEED-MHZLTWQESA-N 537.579 2.036 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(Cc3ccc(F)cc3)CC2)CC(=O)N[C@H](Cc2ccccc2)C1=O 643582560 LEAFWGPTCHHMHE-WDYNHAJCSA-N 615.706 2.237 0 40 KEAB CCOC(=O)CSc1nc2cc3c(cc2c(=O)n1CCC(=O)NCc1ccc2c(c1)OCO2)OCO3 2975560 OSGQPYCNHFGOSQ-UHFFFAOYSA-N 513.528 2.216 0 40 KEAB O=C([C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 10256487 FYPGLKNWXVEDCA-IBGZPJMESA-N 500.538 2.110 0 40 KEAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C[C@H](O)COCc2ccc3c(c2)OCO3)CC1 12532509 OVSFZEBIELWDGL-SFHVURJKSA-N 502.511 2.318 0 40 KEAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)N1CCCCCC1 12563697 RGOJEAKFQQAIGF-UHFFFAOYSA-N 513.572 2.338 0 40 KEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)C2=O)cc1 12869388 SJXQWERTDHYGKS-OAQYLSRUSA-N 511.025 2.010 0 40 KEAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 20032258 UJIPBJKXDWOXNU-UHFFFAOYSA-N 509.650 2.183 0 40 KEAB Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccnc2)ccc1-n1cnnn1 100337220 ATULLTNQPBOHQG-CUNXSJBXSA-N 552.599 2.180 0 40 KEAB CCn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 224350900 LAYQYEQLZQCOLZ-UHFFFAOYSA-N 511.647 2.225 0 40 KEAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 226051416 LJOAVFZWXZUZRY-UHFFFAOYSA-N 505.662 2.203 0 40 KEAB CCN1CCN(CC(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)CC2)CC1 257329933 XMCHKDMWGSVHJC-UHFFFAOYSA-N 520.118 2.129 0 40 KEAB O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)N(C1CCC1)C2 514287544 JYPZYLOELKZOQQ-QIJYUAQKSA-N 520.630 2.281 0 40 KEAB Cc1cnccc1C(=O)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1 643579071 SBHJLISCHOZVSR-LOSJGSFVSA-N 510.635 2.349 0 40 KEAB O=C(COCC(=O)OCc1ccccc1)NCCCCCCNC(=O)COCC(=O)OCc1ccccc1 2060990710 SPRJIINYLBMGBB-UHFFFAOYSA-N 528.602 2.299 0 40 KEAB COC(=O)CCC[C@H]1[C@H]2SC[C@](NC(=O)c3ccccc3)(C2=O)[C@@]2(O)[C@@H](NC(=O)c3ccccc3)CS[C@H]12 3881707 KRLFWXIDUTYSLM-NMGZNSMKSA-N 554.690 2.458 0 40 KEAB CCOC(=O)c1cccc(NC(=S)N2CCN(c3ncc4c(=O)c(C(=O)O)cn(CC)c4n3)CC2)c1 9130787 CWULQULDCAFHBO-UHFFFAOYSA-N 510.576 2.205 0 40 KEAB COc1ccc([C@H](C(=O)NC2CCCC2)N(CCO)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC 12703251 MUFWEEUMYNMJHQ-XMMPIXPASA-N 526.569 2.117 0 40 KEAB O=C(c1ccco1)N1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C2CCCC2)CC1 20080834 RHZKBYRSPCSYPM-QHCPKHFHSA-N 517.546 2.499 0 40 KEAB CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCN(Cc2ccccc2)CC1 22926500 GLCAVPOQYTYSRF-UHFFFAOYSA-N 529.707 2.310 0 40 KEAB COc1ccc(N2C(=O)C[C@H](NCCCCCCN[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)C2=O)cc1 102229461 AEHDHARNOIPPCZ-PSWAGMNNSA-N 522.602 2.407 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224023558 HQKTWCNVSUVVIG-KRWDZBQOSA-N 507.609 2.032 0 40 KEAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 253566656 JEVOPQUJKRCNLK-OAQYLSRUSA-N 529.596 2.118 0 40 KEAB Cc1cc(C)c2[nH]c(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cc(F)c(O)nc3=O)CO4)nc2c1 257202181 AKUCNVHQIZIULM-KBMIEXCESA-N 513.570 2.288 0 40 KEAB CC(C)[C@H]1COc2ccccc2C(=O)NCCCOc2ccccc2C(=O)N[C@H](C(=O)O)CCC(=O)N1 643569911 GEYJZBLKNGDAOL-LEWJYISDSA-N 511.575 2.382 0 40 KEAB CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCOC)c1ccc(O)cc1 6631471 IWYOFEVMLIBUKZ-HXUWFJFHSA-N 513.576 2.079 0 40 KEAB CCN(CC)c1ccc(C(=O)NCCOC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 12561178 FZSOUIHEUDCPLC-UHFFFAOYSA-N 503.621 2.449 0 40 KEAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 20030624 XJSUUDVBOWURLN-UHFFFAOYSA-N 501.630 2.192 0 40 KEAB CCn1c(SCC(=O)N2CCC[C@H](C)C2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36296020 VOIZHWUGSPDMNG-SFHVURJKSA-N 506.698 2.252 0 40 KEAB CC(C)[C@@H]1C(=O)N2CCC[C@H]2[C@@]2(O)O[C@@](NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 60027360 UJYGDMFEEDNVBF-LAYPMVPQSA-N 561.683 2.040 0 40 KEAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O 103140307 OHNAQNJMBQYCPK-DEOSSOPVSA-N 535.022 2.243 0 40 KEAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224481143 SUWNNOOIMXZRNI-INIZCTEOSA-N 513.410 2.433 0 40 KEAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 408594102 SEKQLGGTMLCSNL-VIZOYTHASA-N 504.293 2.453 0 40 KEAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12 409138662 GFGWKQBGJCZIBG-ZWAQGKOVSA-N 540.642 2.394 0 40 KEAB COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NCc2ccco2)ccc1OC(C)=O 409379537 XMWHNJZFVGKSEB-JWQCQUIFSA-N 613.528 2.299 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCCn3cccn3)c(OC)c2)C[C@@](O)(COc2ccccc2)C1 585280979 URTAJHMHUODVDI-LJAQVGFWSA-N 538.645 2.462 0 40 KEAB CC(C)=CC(=O)N1CC[C@H](NC(=O)NC2CCCCC2)[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O 4201082 MKCOZIZAVCUUKQ-ARNLJNQMSA-N 522.650 2.248 0 40 KEAB biogenic,in-vitro CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1 6546788 QXURCEGFCUIHFY-OAQYLSRUSA-N 525.587 2.209 0 40 KEAB CC[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(OC)cc1)C(=O)C[S@@](=O)CC(=O)Nc1ccc(OC)cc1 6821209 NBTPOBRBJACTDU-SFXZVBIVSA-N 559.685 2.494 0 40 KEAB COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2ccco2)c2cccnc2)cc1OC 12485611 UIAWRMYOHINNAX-NBGIEHNGSA-N 522.558 2.491 0 40 KEAB NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1N 38145024 DYJJFPSUVYVPTC-GHTZIAJQSA-N 527.578 2.348 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](C)n4nc(C(F)(F)F)cc4C)[C@H]3SC2)s1 38154884 PQWDWFMGUGKHFZ-JVAXNHSRSA-N 548.594 2.462 0 40 KEAB COc1c2c(cc3c1[C@@H](c1c(O)n(-c4ccc(I)cc4)c(=O)[nH]c1=O)N(C)CC3)OCO2 70681050 MOUGDLHBEBZJOR-KRWDZBQOSA-N 549.321 2.151 0 40 KEAB biogenic CCOC(=O)c1[nH]c(COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)c(C(=O)OCC)c1C 101470935 GVWRBODKSJXZGL-YJYMSZOUSA-N 530.983 2.101 0 40 KEAB CCOC(=O)C1=C(COC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)NC(=O)N[C@@H]1c1cccs1 103122946 KFIACHCZDDMFKX-LJQANCHMSA-N 528.008 2.484 0 40 KEAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 108450847 UNGNSRMJTQHXCK-KNQAVFIVSA-N 587.695 2.358 0 40 KEAB biogenic COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 223153897 CQBINVYHTSJGBI-UHFFFAOYSA-N 551.687 2.462 0 40 KEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 225445077 AXFYGQIVKDMVQH-UHFFFAOYSA-N 511.622 2.138 0 40 KEAB O=S1(=O)CC[C@@H](N(CCCN2CCOCC2)S(=O)(=O)c2cc(Br)ccc2Br)C1 575423983 QJCYIPHINNAPPN-OAHLLOKOSA-N 560.330 2.112 0 40 KEAB CC1(C)NC(=O)C[C@@H](C(=O)NCCc2ccccc2F)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O 643576555 QYRSGLWBMIAKIK-NSOVKSMOSA-N 645.732 2.194 0 40 KEAB CCCCN(C(=O)CSc1nnc(C(F)(F)F)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3288278 NQRBZRLEHOROJP-UHFFFAOYSA-N 511.530 2.240 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 5223479 DHEYTJVPOXJDMJ-FMTGGWRCSA-N 579.580 2.044 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC 6547003 JDCXIUKSKDVZBG-NRFANRHFSA-N 559.576 2.048 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 6601364 MLWTVDWKZGEXRT-NRFANRHFSA-N 543.577 2.429 0 40 KEAB Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2cccc(C)c2)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 12374415 YAHOTDHXRHVWLY-XMMPIXPASA-N 509.584 2.411 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 20084166 QABQUVGHCBAHBW-XMMPIXPASA-N 523.569 2.229 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)NCCNC(=O)c2ccccc2)C(C)C)c1 25049143 MFICVTAIQOTWLR-JOCHJYFZSA-N 502.637 2.018 0 40 KEAB CCCCN(C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32994476 HFJXPSSUOVXWPV-IBGZPJMESA-N 529.638 2.016 0 40 KEAB COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3cc(C=O)ccc3OC)c2=O)cc1 45899960 CQDDBXSTJGUFLL-UHFFFAOYSA-N 501.539 2.327 0 40 KEAB COc1ccc(/C=c2/sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)cc1O 96913806 YVKZVUFVGGVZBU-BYDXSSSESA-N 527.606 2.333 0 40 KEAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N([C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1 103030135 FEAAOQNZFFFICO-LJQANCHMSA-N 546.580 2.465 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224256708 RQNACHHJKGRUFU-FQEVSTJZSA-N 548.083 2.339 0 40 KEAB Cn1c(CCC(=O)N2CCC3(CC2)C[C@H](n2ccc(O)nc2=O)[C@@](C)(O)CO3)nc2cc(Cl)ccc21 257199737 AAQWHVZVEYCGAJ-CYFREDJKSA-N 515.998 2.195 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409170522 WCUUSFXHYUUBJD-STEKTNRRSA-N 607.685 2.053 0 40 KEAB COC[C@@](C)(COP(=O)(N1CCOCC1)N1CCOCC1)C[C@H](C)COP(=O)(N1CCOCC1)N1CCOCC1 4429750 DLRXYJYQUONZDQ-DQEYMECFSA-N 612.642 2.244 0 40 KEAB CCOc1ccccc1CC1(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N(C)C(=S)N(C)C1=O 20111730 DKNNYRRNKCQRQK-QUCCMNQESA-N 508.644 2.111 0 40 KEAB biogenic NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N 38144980 GYSZYIBYDQNLEG-VGOFRKELSA-N 555.588 2.418 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@H](C)/C(=N/[C@H](C)[C@@H](O)[C@]1(C)O)O2 85867008 BPENQAXMHXRNMD-WXGCTPCFSA-N 730.937 2.405 0 40 KEAB COCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223221658 XDHIVTULXZZGKI-PMERELPUSA-N 625.744 2.498 0 40 KEAB O=C(NCCCO)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223437994 FVCADDVIJOUWCD-LJAQVGFWSA-N 599.681 2.494 0 40 KEAB CCOc1ccc2[nH]c(C(=O)NC[C@H]3OC[C@@H](n4cc(C)c(O)nc4=O)[C@H]4OC(C)(C)O[C@H]34)c(C)c2c1 2037976167 ADJRMFZCNDAFAE-UGESXGAOSA-N 512.563 2.336 0 40 KEAB CCc1nnc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2CC)s1 6860969 MVKBHPKKXKGCJS-UHFFFAOYSA-N 523.666 2.131 0 40 KEAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 12541333 BAYZIQODOVGYCN-YXSDIZSPSA-N 500.411 2.417 0 40 KEAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1 15959076 HLUDPJMHBYAGPQ-FGFYRLLUSA-N 524.961 2.016 0 40 KEAB biogenic O=C(c1ccccc1)N1CCN(C[C@H](O)COc2ccc(OC[C@H](O)CN3CCN(C(=O)c4ccccc4)CC3)cc2)CC1 44459981 RBYBEOWVHIHZLA-RNPORBBMSA-N 602.732 2.082 0 40 KEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 59838560 XHJVZNYFOQXSGS-LJQANCHMSA-N 586.530 2.187 0 40 KEAB CCOC(=O)/C=c1\s/c(=C/c2cc(C)ccc2C)c(=O)n1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 102924350 VMNNTIGOSYMCKA-RBOMLZRDSA-N 620.149 2.012 0 40 KEAB COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)NCCCOc3ccccc3C(=O)N2)cc1OC 643565703 LJRBZKAHRQNJTP-ZEQRLZLVSA-N 582.698 2.371 0 40 KEAB CN(C)CCNC(=O)C[C@@H]1c2nc(NC(=O)c3ccco3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO 4222439 RCGZOHQNWPUGBD-GWKZUWMJSA-N 504.653 2.472 0 40 KEAB biogenic,in-vitro C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(C)CC1 24756118 JMNFIHYUTLWGFZ-GOSISDBHSA-N 506.600 2.004 0 40 KEAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 32971878 FNOBRWMVJZZNAW-UHFFFAOYSA-N 523.453 2.404 0 40 KEAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)C2)cc1 100840737 WAEXHBVQMOOIOM-QGZVFWFLSA-N 574.641 2.495 0 40 KEAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 224607929 YAJKGPLSBWRZSY-UHFFFAOYSA-N 521.411 2.288 0 40 KEAB CC(=O)N1CCCN(C)CCN(C(=O)CCc2cnc([C@H]3CCCN3S(C)(=O)=O)cn2)Cc2ccccc21 643554692 XQYMSTUHFMSRJZ-AREMUKBSSA-N 542.706 2.223 0 40 KEAB CC(C)C[C@@H]1NC(=O)C2(CCCCOC[C@@H](C)NC1=O)CCN(Cc1cnc(N3CCOCC3)nc1)CC2 643575978 AYTZJRIASHCAQT-VWNXMTODSA-N 530.714 2.132 0 40 KEAB CN1CC(=O)N(CCCOc2ccc(CN3CCOC[C@@](O)(COc4ccc(F)cc4)C3)cc2)C1=O 2037940826 KXMLYUGDTLNEQH-AREMUKBSSA-N 501.555 2.131 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 685313 PQKCSZJAFMCFBW-YVVITCHPSA-N 552.653 2.160 0 40 KEAB CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCOC)c2ccc(OC)cc2)cc1 6601056 FLGNSWLLYLXSOJ-OAQYLSRUSA-N 527.603 2.382 0 40 KEAB COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCN2CCOCC2)cc1 19809688 GLWWOKLSGFQIMR-JOCHJYFZSA-N 526.615 2.145 0 40 KEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O 38139639 HJSRPDTVFDLQRA-HXUWFJFHSA-N 543.665 2.406 0 40 KEAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]45)[C@H]23)cc1OC 100864312 SQEAXPYQNGORDS-BMDGLPDMSA-N 516.597 2.402 0 40 KEAB CCCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 102920374 HYZCWIAZWORAIM-UHFFFAOYSA-N 538.070 2.437 0 40 KEAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 103527403 CHBDVMRGZGGYEG-JPQMRUPTSA-N 575.662 2.457 0 40 KEAB biogenic CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 222841486 SIETYRGLHYNNAY-UHFFFAOYSA-N 518.057 2.200 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 224241237 NESJFSRXJWSKPH-QFIPXVFZSA-N 537.704 2.107 0 40 KEAB CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn([C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)n2)cc1 255972780 FVBDVTHTYLLSQE-BKVOUIBNSA-N 604.664 2.316 0 40 KEAB CCn1cc(C(=O)N[C@H](C(=O)N2CCN(c3ccccn3)CC2)C(C)C)c(=O)c2cc3c(cc21)OCO3 9306038 PVKWEHOODJWSGQ-DEOSSOPVSA-N 505.575 2.248 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1 20032190 PNQMVKOZVZRYBP-IBGZPJMESA-N 509.650 2.053 0 40 KEAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59851899 ROUDEIJELBPKON-UHFFFAOYSA-N 563.629 2.343 0 40 KEAB Cc1cc(C(=O)COC(=O)Cn2cc(I)c(=O)c(I)c2)c(C)n1C 102404025 NLBNEZVPNBYUQY-UHFFFAOYSA-N 554.122 2.439 0 40 KEAB O=C(CN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O)N1CCOCC1 214671840 HIFQGLKOFOPABC-KPKJPENVSA-N 600.172 2.497 0 40 KEAB O=C(NCCO)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223078696 YOBOGAHTZPZXBY-MUUNZHRXSA-N 616.136 2.488 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1 226048593 VCTPNZCFDUTINW-OAQYLSRUSA-N 535.688 2.239 0 40 KEAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)OC)c(OC)c4)c(=O)n32)cc1OCC 408936706 PQIFQNTUCWSHIO-NFYDWNOTSA-N 582.631 2.376 0 40 KEAB COc1ccccc1-n1c(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)nc2ccccc2c1=O 12539141 LQMBHOGJTRAPQQ-UHFFFAOYSA-N 521.599 2.468 0 40 KEAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 97982372 LRUZLXGTEAPFNY-DHZHZOJOSA-N 590.705 2.305 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3nn(CCC(C)C)c(=O)c4ccccc34)CC2)cc1 103056130 RXRRGASEMOEJAW-UHFFFAOYSA-N 540.642 2.441 0 40 KEAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccccc2OC)CC(=O)N[C@@H](CC(C)C)C1=O 1615104350 BWPROVRQPICRAX-ZEQRLZLVSA-N 582.698 2.493 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 2061001042 WBWWGRHZICKQGZ-INEBHMSQSA-N 515.713 2.368 0 40 KEAB COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)cc(C(=O)OC)c1 10323883 VOIQTNZLBZLIMN-UHFFFAOYSA-N 508.524 2.447 0 40 KEAB CCOc1ccc(CCNC(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1OCC 38140810 UZRGDHWNBZUNHD-UHFFFAOYSA-N 538.594 2.160 0 40 KEAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 70705030 KSILDCMGZRRWHH-GSDHBNRESA-N 554.603 2.277 0 40 KEAB biogenic COc1cc(/C=c2\sc3n(c2=O)CN(c2ccc(I)cc2)CN=3)cc(OC)c1OC 101026088 TUXORJXDQIBCAD-ZDLGFXPLSA-N 537.379 2.424 0 40 KEAB COCCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nnc1-c1cccc(C)c1 103130766 QIMROBNFFJSCLL-UHFFFAOYSA-N 578.651 2.002 0 40 KEAB CCC[C@H](NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 197555690 BBAWEDCPNXPBQM-TVYZYNQZSA-N 679.863 2.446 0 40 KEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 222654469 UPBODEADOFLZCE-UHFFFAOYSA-N 503.602 2.399 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 224227352 JVPXNCPWAGYRSX-UHFFFAOYSA-N 516.041 2.184 0 40 KEAB Cn1c(N)c(C(=O)CSc2nnc(COc3ccc(Cl)cc3)n2-c2ccccc2)c(=O)n(C)c1=O 3356153 YOJMGWNCUXUUHL-UHFFFAOYSA-N 512.979 2.454 0 40 KEAB COc1cccc(-c2nnc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2C)c1 3400389 GMCDOZICWQMBFZ-UHFFFAOYSA-N 501.634 2.424 0 40 KEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl 16692421 ONSZHSGYHHKXLQ-UHFFFAOYSA-N 510.012 2.432 0 40 KEAB O=C(OCC(=O)N1CCN(C(=O)COC(=O)c2cc(Cl)ccc2O)CC1)c1cc(Cl)ccc1O 23079889 PBIJFHGYFZGKPW-UHFFFAOYSA-N 511.314 2.089 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 59923738 FZJAAOLDOLBIAY-UHFFFAOYSA-N 544.051 2.406 0 40 KEAB COc1ccc(-c2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1OC 60133506 JPSNUUYJURYOFB-UHFFFAOYSA-N 550.597 2.401 0 40 KEAB COc1cccc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 67890439 UTSIBFRIZDPOPS-WZYRSQIMSA-N 524.540 2.147 0 40 KEAB biogenic,in-vitro COc1ccc(Cl)c(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 67890450 NKRAQZCOKKPXGE-WZYRSQIMSA-N 543.970 2.409 0 40 KEAB biogenic,in-vitro Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](C)n4nc(C)c(Cl)c4C)[C@H]3SC2)s1 97945477 GJSFKTMPTNFHKN-IJPZITHUSA-N 529.069 2.405 0 40 KEAB CCCC[C@@H](C(=O)N1CCN(C(=O)[C@H](CCCC)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100679884 LMDFRCCDJMVENG-JPGUTUKTSA-N 604.748 2.389 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)c1 102350402 NGEDEFDLHOIEOJ-UHFFFAOYSA-N 533.657 2.403 0 40 KEAB COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)N1CCC(Cc3ccccc3)CC1)c(=O)n2Cc1ccccc1 103054380 DKUXGGDHBXUDDW-UHFFFAOYSA-N 573.650 2.079 0 40 KEAB CO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2CC[C@]3(C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O 123353167 SOPZOCCINHAAOP-VTCXYDNSSA-N 550.689 2.081 0 40 KEAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)ccc1Cl 224792894 IQIMZJCVOBMBGR-UHFFFAOYSA-N 502.014 2.172 0 40 KEAB C[C@@]12C=C[C@@]3(O1)[C@H](C(=O)N(C[C@@H]1CCCO1)[C@H]3C(=O)NCc1ccccc1)[C@H]2C(=O)NC1CCCCC1 245229551 ARXFALKOVCPKLM-LWXARWASSA-N 507.631 2.471 0 40 KEAB CSCC[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C)C(=O)O 12882285 AYAWCROTMRTKRY-PCUYSCTGSA-N 520.611 2.465 0 40 KEAB biogenic CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)O)C(C)C 15959532 CEDTWGRUDCMCSJ-VABKMULXSA-N 522.602 2.230 0 40 KEAB biogenic COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCCC1 59852319 DXCHPLNSZULGPK-UHFFFAOYSA-N 551.687 2.211 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 89847733 KCOZIGYOSJDNEL-FQEVSTJZSA-N 501.590 2.459 0 40 KEAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 226086360 DJSMJFHRRAEMEU-UHFFFAOYSA-N 535.688 2.430 0 40 KEAB CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N([C@H](C)C(=O)O)C(=O)[C@@H]54)[C@H]23)ccc1O 245237181 XUUMTQZOYYLJEH-WWUKUNIDSA-N 516.597 2.487 0 40 KEAB O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccccc4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1 253406836 VBIGVQKTJAALGP-RKDXIHMYSA-N 590.721 2.371 0 40 KEAB COC(=O)COc1c(I)cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1OC 409100685 RMUOALADDFTUEO-PBJWJZLWSA-N 535.312 2.449 0 40 KEAB CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCC2)CC(=O)N(Cc2ccccc2)CC1=O 643574653 GYVZDKCZOWKICY-VTIYRKAUSA-N 696.849 2.384 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCCC2(CCN(Cc4ccncc4Cl)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 1548891185 YKGVDXIHPWXFBA-VWNXMTODSA-N 601.129 2.193 0 40 KEAB O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1)NCc1ccc(F)cc1 9382088 ARAFDVSLZFVRCC-UHFFFAOYSA-N 500.943 2.436 0 40 KEAB NS(=O)(=O)N1CCN(C2CN(CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 27563720 OQXJUJDDCWHRLA-DEOSSOPVSA-N 544.549 2.159 0 40 KEAB COC(=O)[C@H](CCSC)NC(=O)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 46086335 DKHYIOGLUCEIDY-XZOQPEGZSA-N 529.659 2.344 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C(=O)NCCCOC(C)C)cc1 222935096 CBLRMFMDKQCIEV-HSZRJFAPSA-N 591.727 2.444 0 40 KEAB Cc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O 224365267 XCVOIFFZAWQOJU-UHFFFAOYSA-N 509.650 2.131 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225588990 SYSYYGZVQPJMDB-UHFFFAOYSA-N 553.659 2.436 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 260761144 SPGCMMJFGKRXNI-GOSISDBHSA-N 521.636 2.420 0 40 KEAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)O2 260890780 SADVVEKIJKGTQD-RUZDIDTESA-N 559.666 2.397 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C 6546753 FIXKWNUJBFVEJB-OAQYLSRUSA-N 525.587 2.214 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OCC)cc1 6601082 DHNNABOSWKWWNW-LJQANCHMSA-N 531.616 2.352 0 40 KEAB CC(C)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](C(=O)O)[C@H](C)O 8790015 MYYHSDWJYWRFHS-SXLOBPIMSA-N 505.612 2.046 0 40 KEAB biogenic COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1OC 13150599 RDPAKNVBCWNUTE-JOCHJYFZSA-N 503.621 2.029 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccccc2F)CC1 20084156 NKFJDSYXRQAFCE-XMMPIXPASA-N 523.569 2.229 0 40 KEAB CCN1C(=O)c2cccc3cc(S(=O)(=O)Nc4cc(S(=O)(=O)NC)ccc4OC)cc(c23)C1=O 35685727 XXJOFOOJWWEADF-UHFFFAOYSA-N 503.558 2.173 0 40 KEAB C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C)c1ccccc1 35877419 OIPATMUGKZSSKM-FNECQJRHSA-N 522.627 2.207 0 40 KEAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 59837519 UCPYSKLHKBILHJ-UHFFFAOYSA-N 545.683 2.495 0 40 KEAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)O[C@H]2OCCN1CCOCC1 67665231 XKAOBWLSKUSFOB-WYKIZHIZSA-N 562.660 2.371 0 40 KEAB in-vitro CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC)c1ccc2c(c1)OCCO2 222520868 YYWKDVOOFJZMQD-INIZCTEOSA-N 510.012 2.431 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1Cl 224366003 GZJSDXWKCRVOKX-UHFFFAOYSA-N 530.068 2.476 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]54)[C@H]23)ccc1O 248131052 KIZHCISLNFIAEA-MZYGPJJOSA-N 516.597 2.489 0 40 KEAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(C3CCOCC3)CCCN(C(=O)COC)c3ccccc3C2)cc1 643565810 OELUZDPTMIMFET-UHFFFAOYSA-N 586.755 2.420 0 40 KEAB CC(=O)O[C@H](C[C@@H](C)[C@@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](O)C(C)(C)O 2332243330 HMBXWIISEWSWQK-QWRFLQKBSA-N 678.860 2.409 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C(F)(F)F)cc4C4CC4)[C@H]3SC2)s1 2809181 JGCTWQFRMKBSGJ-WMLDXEAASA-N 560.605 2.470 0 40 KEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)ccc2OCC(=O)O)C1=O 9324368 WNCSNHMNNQODFV-OQLLNIDSSA-N 504.293 2.453 0 40 KEAB CN1CCN(S(=O)(=O)c2ccc(SCC(=O)N3c4ccccc4NC(=O)C34CCCC4)nc2)CC1 12543784 DOWQAYJQLQYLTL-UHFFFAOYSA-N 515.661 2.408 0 40 KEAB COc1cc2cc(CN(CCCN3CCOCC3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c2cc1OC 13033573 LYBJSQGFGWGBMR-UHFFFAOYSA-N 533.633 2.305 0 40 KEAB CCc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1 260886194 GQSFXFUPQOIGGN-LJQANCHMSA-N 523.677 2.383 0 40 KEAB CCc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)cc1 408582140 VPUJFOAZKFRCEU-JOCHJYFZSA-N 508.619 2.458 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCCNC1=O 643567676 PCKOQGYNIORINS-SVBPBHIXSA-N 605.736 2.434 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccc4OC)o3)cc2)CC1 9412604 BXFREMBFWSOCTD-UHFFFAOYSA-N 515.548 2.460 0 40 KEAB COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1 11614307 STCIMPRHAGYAII-WLGHQHAYSA-N 524.595 2.451 0 40 KEAB CCCn1c(N)c(C(=O)CSc2nnc3n(-c4cc(C)ccc4OC)c(=O)c4ccccc4n23)c(=O)[nH]c1=O 103121281 SJVHLIAQYUSJGF-UHFFFAOYSA-N 547.597 2.168 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224997012 XQRPGMAOQMMTEG-GOSISDBHSA-N 519.620 2.176 0 40 KEAB Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1S(=O)(=O)N1CCN(C)CC1 225540194 CKTKDJYJXCTTSV-LJQANCHMSA-N 538.667 2.110 0 40 KEAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 408660001 UHLFYMNSSWHRGC-CQSZACIVSA-N 508.314 2.455 0 40 KEAB CCN(CC)CCS(=O)(=O)[C@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@@H](O)C=C(C)C=CCNC(=O)C=C[C@H](C)[C@H](C(C)C)OC(=O)[C@@H]12 1529051586 SUYRLXYYZQTJHF-CHWBWAOMSA-N 690.860 2.269 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)CCn4nc(C)c(Br)c4C)[C@@H]3SC2)s1 2786103 GRQGINJLBIEVPX-YOEHRIQHSA-N 573.520 2.343 0 40 KEAB COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(O)cc1 12474063 KTYKMUFIXXHDDE-IIBYNOLFSA-N 525.587 2.222 0 40 KEAB Cc1cccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c12 19941524 WIFGNIXYWDUZSB-WMZHIEFXSA-N 503.563 2.142 0 40 KEAB CC(C)(C)OC(=O)N[C@@H]1CNCCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O 100107000 VYHZFERHANNWDC-WXGGYGAESA-N 538.689 2.127 0 40 KEAB O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 102778741 ILHVTTHVBKZAJM-QFIPXVFZSA-N 557.650 2.292 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cc(Br)ccc1OC 223998686 DBRXVHFZLLUIPN-UHFFFAOYSA-N 521.411 2.288 0 40 KEAB C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 224408570 CZEBFXXBXMBBIQ-GOSISDBHSA-N 527.640 2.350 0 40 KEAB COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)c1 408656244 MYLFDDVULXKQBD-LJQANCHMSA-N 541.557 2.192 0 40 KEAB CC(C)(C)C(=O)COC(=O)c1ccc2c(c1)C(=O)N([C@H](CCS(C)(=O)=O)C(=O)OCC(=O)C(C)(C)C)C2=O 409184254 WNAVWACCTKBXAL-GOSISDBHSA-N 551.614 2.016 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccccc2)C1 585279661 FLBLGEPAOCLMJK-NDEPHWFRSA-N 508.619 2.371 0 40 KEAB CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2c(C)nn(C)c2C)NC(=O)c2ccccc2OC[C@H](CC(C)C)NC1=O 643565700 LITNZRUTZRDAPC-YGMWMALSSA-N 582.746 2.339 0 40 KEAB Cc1cccnc1CN1CCC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548891338 ZROILQGTQAWNJS-RSXGOPAZSA-N 584.739 2.341 0 40 KEAB COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1 17433873 YUOILSRYWXTVIV-HSZRJFAPSA-N 543.617 2.198 0 40 KEAB CC1(C)CCc2c(cc(OCC(=O)NCC(=O)NCC(=O)NC3CC3)c3c(-c4ccccc4)cc(=O)oc23)O1 70708499 CWOYAXKUHHOVDK-UHFFFAOYSA-N 533.581 2.453 0 40 KEAB biogenic N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(C/C=C/C[C@H]2C1)CCOCC3 257337378 YSOFKBPOCFHDNJ-BPRGEBDMSA-N 574.722 2.470 0 40 KEAB C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@@]6(C(=O)O)CC[C@@]45C)C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 2037521809 OHJWWOZXCKEOGK-RYYWRDQGSA-N 897.109 2.373 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N 6546961 OCRMPQYAIWIJOO-NRFANRHFSA-N 543.577 2.035 0 40 KEAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1 12536912 QYHJRCJEWKZNOQ-UHFFFAOYSA-N 502.593 2.034 0 40 KEAB CC(C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](C(=O)O)[C@@H](C)O 12882108 MYYHSDWJYWRFHS-HOJAQTOUSA-N 505.612 2.046 0 40 KEAB biogenic CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 20032436 GJXZEEGAGCPYCG-UHFFFAOYSA-N 523.677 2.491 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70701411 ZWFQYBOHVJACPQ-ZMMDUFCOSA-N 533.585 2.075 0 40 KEAB biogenic COc1ccc2c(C)c(CC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)O)C(C)C)c(=O)oc2c1C 70705317 DBYQGNCUQMTSOH-NVQXNPDNSA-N 565.623 2.030 0 40 KEAB biogenic CCCn1nnnc1NC(=S)NC(=O)c1cc(I)ccc1I 100324113 VQYXJYAPPDRYFF-UHFFFAOYSA-N 542.144 2.419 0 40 KEAB CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 101264785 AVIHJXHFJHJLDS-QHCPKHFHSA-N 545.562 2.386 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc(N)nc(N(C)C)n3)n2[C@@H](C)COC)c1 102853735 XNXIJDAFTFRVBT-HNNXBMFYSA-N 535.700 2.309 0 40 KEAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@]4(CCS(=O)(=O)c5ccc(F)cc54)C3=O)cc2)C1 102895352 YAWHBVAIIYFWAS-ZDXGUKGBSA-N 592.671 2.056 0 40 KEAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 224608194 XHTSSISIWKFMJN-NRFANRHFSA-N 505.637 2.456 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409172642 DZCVBTZLZJMMMH-NAIWQIQESA-N 637.711 2.062 0 40 KEAB Cc1cc(CNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)COc3ccccc3C(=O)N2)n[nH]1 643583809 AXBJTTUOPYCSSV-OEMFJLHTSA-N 554.692 2.319 0 40 KEAB COc1ccccc1CNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O 9616416 DOHTVSOWCAWSQX-UHFFFAOYSA-N 504.543 2.178 0 40 KEAB COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c(OC)c1 100451925 NZZIIESMLVXBCO-JOCHJYFZSA-N 543.617 2.198 0 40 KEAB CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O 123352585 SOPZOCCINHAAOP-WEJWWRQKSA-N 550.689 2.081 0 40 KEAB COC(=O)O[C@@H]1C=C2C(=CC(=O)OC2(C)C)[C@H](C)[C@@H]2C[C@@]3(C)C(=O)O[C@H]4O[C@@H](C)C(=O)[C@@H]([C@]21C)[C@]43O 139525324 NLXBYYROKNGJOC-JPEUAKAISA-N 504.532 2.226 0 40 KEAB biogenic,in-vitro CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224447962 KGMAMPVLNDOILA-UHFFFAOYSA-N 573.693 2.483 0 40 KEAB CC(=O)Oc1ccccc1C(=O)O[C@H](C)C(=O)OCCOC(=O)[C@@H](C)OC(=O)c1ccccc1OC(C)=O 263583723 VVKXTLBUVPMIFD-HZPDHXFCSA-N 530.482 2.414 0 40 KEAB COc1ccc(N2C(=O)[C@@H](C(c3ccncc3)[C@@H]3C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)C(=O)NC2=S)cc1 6136618 DLWNEXGLNHNXHX-FRIKZZABSA-N 589.655 2.311 0 40 KEAB O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1)NC[C@H]1CCCO1 9600061 PDBZGTITAIWUQU-MRXNPFEDSA-N 525.678 2.352 0 40 KEAB CCN(C(=O)COC(=O)c1c(NC(C)=O)sc(C)c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32666506 GHNXULDFVIIMBC-UHFFFAOYSA-N 513.576 2.014 0 40 KEAB O=S(=O)(NCCNS(=O)(=O)c1ccc(I)cc1)c1ccc(I)cc1 226855489 PMRPSBDQSISHSC-UHFFFAOYSA-N 592.218 2.153 0 40 KEAB O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)N(Cc1ccncc1)C2 514287648 UGJYJUAODNDKFN-INWNYEGYSA-N 557.651 2.324 0 40 KEAB Cc1nc(C)n(CCC(=O)N2CCC3(CCCCNC(=O)c4ccccc4OC[C@@H](C)NC3=O)CC2)n1 643560966 QEEHURUNZKAFGS-LJQANCHMSA-N 510.639 2.391 0 40 KEAB O=C1N[C@H]2CCN(CC(=O)N3CCCC3)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@H]1Cc1ccccc1 2037879401 UWOICDOHQQSEQG-ZNZIZOMTSA-N 522.690 2.290 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)COc2ccc(Cl)cc2Br)c(N)n(Cc2ccccc2)c1=O 3447652 CSEHZAXYCWGPHS-UHFFFAOYSA-N 594.802 2.034 0 40 KEAB CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccco2)cc1 6601002 FRZAHYCDSIGVJC-UZLBHIALSA-N 513.576 2.499 0 40 KEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccc(F)cc2)cc1 20030737 FYGWBBAMJISZFI-UHFFFAOYSA-N 505.593 2.289 0 40 KEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl 20031237 UENCSRVMBJIVPK-UHFFFAOYSA-N 518.057 2.316 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 32996097 MVPRZEONOFPCJA-UHFFFAOYSA-N 507.634 2.055 0 40 KEAB COc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(OC)c(C)cc3OC)[C@H](C)C2)c(OC)cc1C 35986634 AKGCOTKFOLRBFK-QGZVFWFLSA-N 528.649 2.422 0 40 KEAB CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36296052 MKNNBDCMVPJNSO-UHFFFAOYSA-N 507.667 2.088 0 40 KEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC1)C2=O 66136319 HCHNAPRWUHYVPI-FATZIPQQSA-N 530.569 2.074 0 40 KEAB COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cccc(I)c3)c(=O)n12 101756995 DASNBTKJDYFXCB-ZDDRJCDVSA-N 532.359 2.464 0 40 KEAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)c1 140062025 YULVQTLEIJBBHK-UHFFFAOYSA-N 535.604 2.008 0 40 KEAB CC(=O)N[C@H]1[C@H](Oc2cc3sc(=O)oc3c(Cl)c2Cl)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 216305685 ZFDNZWACMUUPOO-MRAULBJFSA-N 566.368 2.196 0 40 KEAB CC(=O)N[C@@H]1[C@H](Sc2nnc(-c3ccccc3)n2CC(C)C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 504388896 KPCRYRRUYSHRNL-JRYGSTJPSA-N 562.645 2.349 0 40 KEAB biogenic Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3ccc(C)o3)n2)o1 888383 PRVYHZPJZWVGJM-RUZDIDTESA-N 539.637 2.494 0 40 KEAB COc1ccc(N(CC(=O)NC2CCCC2)C(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)cc1 6973648 XDWNONLZELIBJC-PSXMRANNSA-N 515.588 2.203 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@]4(C)[C@H]5C[C@@H](O)[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@@H]4C3)O[C@@H]2C)C[C@H](O)[C@@H]1O 49864993 NTSBMKIZRSBFTA-AIDOXSFESA-N 650.806 2.337 0 40 KEAB in-vitro COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4[C@]5(OC(=O)C(CO)=C5C[C@H]5[C@H](COC(C)=O)[C@H]6C[C@H]6[C@@]54C)[C@H]31)[C@H]1C[C@H]12 96023755 UEHIWILSQZCXQY-LWKKLXHHSA-N 578.658 2.448 0 40 KEAB biogenic CCOC(=O)[C@H](C)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(OCc2ccccc2)cc1 252394532 PKSYUSBHIMIUJC-FCLIQBFMSA-N 646.741 2.326 0 40 KEAB O=C1CN(Cc2ccccn2)Cc2ccccc2OC/C=C\[C@H]2CN1CC[C@H]2CC(=O)N1CC[C@@H](O)C1 253407131 VPQKHOWICCJVMA-VXNWIJQKSA-N 504.631 2.480 0 40 KEAB CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)[C@H](O)C[C@@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O 254399779 CPFNIKYEDJFRAT-SGNUOUOJSA-N 550.689 2.081 0 40 KEAB biogenic COCC(=O)N1CCN(CC2(O)CCN(c3ccc(C)cc3)CC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 585282796 ODBUSWNBSPCPQF-MUUNZHRXSA-N 533.616 2.205 0 40 KEAB CN1C(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H]1Cc1ccccc1 643570035 ZFHWMPWIOJGHOX-FGUUHEIUSA-N 645.732 2.276 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NC[C@H]2CCCN(C)C2)CC(=O)N[C@H](CC(C)C)C(=O)N1C 643584443 MSARTKGFNAOYRN-MFYWSIJSSA-N 571.763 2.430 0 40 KEAB CC[C@H](C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 6820971 HXZWBLHGOXFQTD-VQTJNVASSA-N 500.600 2.202 0 40 KEAB O=c1cc(CSc2nnnn2-c2ccccc2)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]1 8758039 YVAZYTKADZFLCC-UHFFFAOYSA-N 504.576 2.089 0 40 KEAB COc1ccc(CCNC(=O)CSc2nc(-c3ccc(F)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC 11758201 RMHAWGZYXMPGLL-UHFFFAOYSA-N 539.589 2.302 0 40 KEAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1=O 12609940 MHIMCMGCKRJHBY-KRWDZBQOSA-N 523.995 2.431 0 40 KEAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1S(=O)(=O)N1CCOCC1 20495426 NGRZCQNEALQXTF-UHFFFAOYSA-N 516.601 2.464 0 40 KEAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 59838864 IAAJCEOELYZQMQ-HXUWFJFHSA-N 586.132 2.477 0 40 KEAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 59852023 JTBQMZUMYXQURD-UHFFFAOYSA-N 531.656 2.419 0 40 KEAB NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1 101978076 XECOPBWRKFFWKZ-NDENLUEZSA-N 569.024 2.079 0 40 KEAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)CNC(=O)CNS(=O)(=O)c3ccccc3)cc2)cc1 105217947 XILPORYJNGGRNS-UHFFFAOYSA-N 524.551 2.035 0 40 KEAB CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C 169719173 LPLVUJXQOOQHMX-CZDOIKPBSA-N 822.942 2.246 0 40 KEAB biogenic CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 223432457 BJEQJGJYXQRRFL-HXUWFJFHSA-N 507.609 2.032 0 40 KEAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 224342480 NUDOQZDCMMQTQS-UHFFFAOYSA-N 502.998 2.268 0 40 KEAB O=C(Nc1nnc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1)c1ccc(Cl)cc1 225169157 HQKQTGCCWBICMZ-UHFFFAOYSA-N 528.037 2.139 0 40 KEAB CC(C)=C[C@H]1OC[C@@H]([C@@H]2CC[C@]3(C)[C@H]4CC[C@H]5C(C)(C)[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]23C)[C@@H]1O 514287985 WVUZNNSUOXFJDU-TYNVHBFJSA-N 783.009 2.023 0 40 KEAB biogenic,in-vitro CC(=O)N1CCN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@@](O)(COc2ccc(F)cc2)C1 585280089 JLPQHYAMFSBDGF-MHZLTWQESA-N 501.599 2.011 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CCC(=O)N2CCC[C@@H]2C1=O 643569562 JLHOWUKFWWVRJF-IZZNHLLZSA-N 594.684 2.411 0 40 KEAB CCOc1ccc2[nH]c(C(=O)NC[C@H]3OC[C@@H](n4cc(C)c(O)nc4=O)[C@@H]4OC(C)(C)O[C@@H]43)c(C)c2c1 2037976166 ADJRMFZCNDAFAE-KRXUUXHPSA-N 512.563 2.336 0 40 KEAB COc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1I 100076873 UIVFRJDCTPUUSL-UHFFFAOYSA-N 522.386 2.302 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1OC 100277533 LBSAIQUTRGSPBD-ISJBWFOZSA-N 568.631 2.303 0 40 KEAB COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC 100451995 ZPVOPCYTYGSLDM-OAQYLSRUSA-N 543.617 2.198 0 40 KEAB COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)sc2cc(S(N)(=O)=O)ccc21 100876840 FNQZZQLEBVHNAA-RFBIWTDZSA-N 588.689 2.085 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 102929528 BYVPLWKDRUYZKL-UHFFFAOYSA-N 566.727 2.317 0 40 KEAB C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224333217 YIXHWKYBVVEIMK-MRXNPFEDSA-N 531.603 2.099 0 40 KEAB CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccsc4)C[C@H]3C(=O)NC[C@H]1O2 253406442 UMJRYCXEBKMOGN-FEVSWUGISA-N 526.659 2.026 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)[C@@H](O)C[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 263583581 LKRDZKPBAOKJBT-YOSLWVDBSA-N 780.949 2.218 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2cc(C)cc(C)c2)cc1OC 408628672 ZUPJZANLGPMTLD-UHFFFAOYSA-N 505.637 2.354 0 40 KEAB CC(=O)N[C@@H](COC(C)(C)C)C(=O)N1CCC2(CC=CC[C@@H]3COCC[C@@H]3NC(=O)[C@H](CC(C)C)NC2=O)CC1 2037819044 VUIIUTSKMQXELT-ROHNOIKCSA-N 562.752 2.317 0 40 KEAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1 883755 PVQQTHQWQMAJHB-UHFFFAOYSA-N 503.606 2.242 0 40 KEAB CCS[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(=S)[nH]cnc21 5665558 IUQZNKFOBHQCTI-LNNATVOCSA-N 586.645 2.030 0 40 KEAB O=C(NCCc1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 9761132 NCSSTGAWLJFYRJ-DEOSSOPVSA-N 513.641 2.109 0 40 KEAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 222998414 PIROTCSHOFEQMK-OAQYLSRUSA-N 503.621 2.476 0 40 KEAB CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253500658 HUSISCNTLUEZCN-RQRSVJHUSA-N 514.656 2.297 0 40 KEAB biogenic,in-vitro CC1=C[C@H]2O[C@H]3C[C@H]4OC(=O)C=CC=C[C@@H]([C@H](C)O)OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@@]4(C)[C@@]31CO1 299888539 NSFWWJIQIKBZMJ-OTDUENKWSA-N 532.630 2.393 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1 585274752 NEANADPRTNAGGM-GDLZYMKVSA-N 538.645 2.380 0 40 KEAB CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(F)cc2)CC(=O)N2CCC[C@@H]2C1=O 643574797 RIMWSRRIOYUDGN-JJZPZGAKSA-N 673.742 2.079 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@@H](O)C(C)(C)[C@H]3[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)C[C@@]12C 669679168 AGBCLJAHARWNLA-SUWDVFTMSA-N 785.025 2.147 0 40 KEAB CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nc3cc(C(=O)OC)ccc3c(=O)n2-c2ccccc2)C1=O 62563995 MJWOVYUEMKOPDX-XMMPIXPASA-N 509.544 2.016 0 40 KEAB COc1ccc(-c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 95946463 DWRAQOQYXWUFMX-PMACEKPBSA-N 510.634 2.277 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 224201806 HIILBKQPRKHTIM-UHFFFAOYSA-N 517.629 2.327 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224227278 VNVOHBKFIZXQIT-UHFFFAOYSA-N 523.677 2.475 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 224989298 KGGCEIFVHPSTFN-GOSISDBHSA-N 521.636 2.422 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1C 408551716 MEXCHQCTEYLZNL-UHFFFAOYSA-N 503.602 2.481 0 40 KEAB COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC 6905110 WZILGTYUKSLNKC-NRFANRHFSA-N 543.602 2.001 0 40 KEAB CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@H]1O 8214654 PMTSPAGBAFCORP-HBUONDEYSA-N 548.673 2.289 0 40 KEAB biogenic,in-vitro COc1ccc(NC(=O)COC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)c1 25398393 AUEFVWAYPWAVFO-UHFFFAOYSA-N 522.576 2.496 0 40 KEAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1 59852217 BUXGZOMUIBDBPB-UHFFFAOYSA-N 560.094 2.135 0 40 KEAB COc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1S(=O)(=O)N1CCOCC1 97979005 CEPKSWOWFIJCBC-RIWGIVCCSA-N 531.587 2.258 0 40 KEAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 224332512 IHHSWNVKQLRVGC-IBGZPJMESA-N 539.676 2.138 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\[C@@H]3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036200 AMJPOQCHPWGNQY-YIDDSYCDSA-N 713.190 2.418 0 40 KEAB CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643564386 JHXKMEXIOJZQSO-AMZDPNTKSA-N 522.646 2.352 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCN(C)C)NC(=O)c2ccccc2OCCCCCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1615153700 DJINCLZDZWFRBW-DTXPUJKBSA-N 664.848 2.180 0 40 KEAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 10314248 WJEJBSRWJKMZIR-UHFFFAOYSA-N 510.638 2.261 0 40 KEAB CCCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 13114289 BZBRYJDQBQBZCL-UHFFFAOYSA-N 516.041 2.400 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4cccs4)C(=O)N23)cc1 29749100 KMWWANYCBSQEIA-QFIPXVFZSA-N 610.743 2.153 0 40 KEAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[nH]c(=O)c32)cc(C(=O)OC)c1 40400417 CVGDVEGYWOSCPE-QGZVFWFLSA-N 505.487 2.460 0 40 KEAB COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 59781038 ZTRDRKKFLMDPMW-OAQYLSRUSA-N 534.444 2.480 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 59888657 BARMOMVCBGHEBA-UHFFFAOYSA-N 522.432 2.419 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(Cc5ccccc5)CCN4C3=O)O2)cn1 253400636 LMIGZVVKGLOKNT-KEQINOFFSA-N 559.667 2.221 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2)c1 260740265 MWHYRCHFTBSQBF-KRWDZBQOSA-N 525.649 2.302 0 40 KEAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCCC3)cc1)O2 260890818 SKLDUVIIENXYTM-XMMPIXPASA-N 565.714 2.491 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409390422 VEGLKYGHDLOFST-NXLSWJSLSA-N 561.616 2.087 0 40 KEAB COC1CCN(CC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)c3ccccc3F)C[C@H]2CC(C)C)CC1 643551803 SCNMCZNTWZXXNK-ABEIZDHXSA-N 595.753 2.169 0 40 KEAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 23077497 PBTQWGWCFUJQID-UHFFFAOYSA-N 504.584 2.158 0 40 KEAB CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1 59837700 JDBMGLVJSLFQTK-UHFFFAOYSA-N 530.466 2.171 0 40 KEAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59852041 UMVMAXUEXNNIIJ-UHFFFAOYSA-N 585.704 2.463 0 40 KEAB CCn1cc(C(=O)N2CCN(CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 67337573 XNADYLQTNICZCG-UHFFFAOYSA-N 523.103 2.481 0 40 KEAB CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70699273 QUGMIFPWYCRNRJ-GMWOSMDTSA-N 533.585 2.075 0 40 KEAB biogenic COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)ccc1-n1cnnn1 100334914 BYZBRAFPKAXJQF-RBISFHTESA-N 567.610 2.485 0 40 KEAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4cccc5ccccc45)cnc32)cc1 101008295 BMPDLGXGJSQXJB-UHFFFAOYSA-N 530.610 2.475 0 40 KEAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222699841 KNEQQBWURCFTTE-OAQYLSRUSA-N 517.648 2.276 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1C(=O)NCc1cccnc1 408703580 TYQUTDKZYYEJMH-UHFFFAOYSA-N 510.572 2.293 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3cccc(C)c3)CC2)C[C@@](O)(COc2cccc(F)c2F)C1 585285875 DLFWTGUQNOWPNA-NDEPHWFRSA-N 533.616 2.205 0 40 KEAB O=C1N[C@H]2CCN(C(=O)c3ccno3)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@H]1Cc1ccccc1 2037850059 MBSYEGISEWNHBL-VJBWXMMDSA-N 506.603 2.496 0 40 KEAB CCn1c(COC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)nc2cc(S(=O)(=O)N(C)C)ccc21 12524787 RMSHNJGBEOUGER-AWEZNQCLSA-N 509.610 2.407 0 40 KEAB Cc1ccc(S(=O)(=O)NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1 12562484 FLAPWIYRTKZWGU-UHFFFAOYSA-N 508.622 2.127 0 40 KEAB COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)NC(=O)C2CCCCC2)cc(OC)c1OC 13146677 VCMFWVPLCGNVTJ-QGZVFWFLSA-N 510.609 2.330 0 40 KEAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)Oc2ccc(Cl)cc21 139732732 XKSZGSZLQVWCQY-GOSISDBHSA-N 523.980 2.097 0 40 KEAB CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(O)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@]21C)C3(C)C 245190547 PHONQDOSFAMLPP-QFGYUDIGSA-N 823.889 2.375 0 40 KEAB Cc1c([C@H](C)[C@@H]2NC[C@H](C)C[C@H]2O)ccc2c1C[C@@H]1[C@H]2CC=C2C[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@]21C 253594642 WXQHVBNTINGJJR-BOLIMENNSA-N 571.755 2.419 0 40 KEAB biogenic,in-vitro COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccnc2)ccc1OC(C)=O 409383157 RXBFIKLVIYAOJP-JWQCQUIFSA-N 610.528 2.424 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCn2ccnc2)CCC(=O)N(Cc2ccccc2)CC(=O)N(C)CC(=O)N1 643572412 WRXPTHIMJLMJMM-JDXGNMNLSA-N 673.815 2.379 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C(F)F)cc4C4CC4)[C@@H]3SC2)s1 2732723 TYXCDQDQPWHCQL-KSSFIOAISA-N 542.615 2.389 0 40 KEAB Cc1ccc([C@H](C(=O)NC(C)(C)C)N(CCN2CCOCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1 19941054 FCRBXMIEODESTJ-XMMPIXPASA-N 523.638 2.367 0 40 KEAB NS(=O)(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 20031740 LYOMLTUAQQAFOB-UHFFFAOYSA-N 506.433 2.358 0 40 KEAB COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCN2CCOCC2)cc1 20064295 SAUOHVPUYBKBNN-OAQYLSRUSA-N 514.579 2.275 0 40 KEAB Nc1cnn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)n1 70664744 BNYBUTCVPIZYGY-BELIEFIBSA-N 556.531 2.426 0 40 KEAB O=C(NC[C@@H]1CCCO1)[C@H](c1ccco1)N(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 100341390 NFPIMTLVORSVDH-SIBVEZHUSA-N 581.603 2.218 0 40 KEAB NS(=O)(=O)c1ccc(NC2=C[C@@H](c3ccc(F)cc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 100813554 OFTCFBBVIOYNJQ-NRFANRHFSA-N 502.549 2.204 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 103113988 OZTAJADKLZXNRL-UHFFFAOYSA-N 574.077 2.187 0 40 KEAB C[C@@]12C=C[C@@]3(O1)[C@H](C(=O)N(C[C@@H]1CCCO1)[C@H]3C(=O)NCc1ccccc1)[C@@H]2C(=O)NC1CCCCC1 245229552 ARXFALKOVCPKLM-NJTFFECGSA-N 507.631 2.471 0 40 KEAB CN(C)c1cccc2cc(C(=O)N[C@H](CS(=O)(=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)NCCN)ccc12 514264904 HKGAFZIAPMFSHE-MUUNZHRXSA-N 612.778 2.038 0 40 KEAB CO[C@H]1CC[C@H]2CCOc3ccccc3C(=O)N[C@H]3C[C@@H](C(=O)NC[C@H]1O2)N(C(=O)OC(C)(C)C)C3 514287687 YHTOJJDVUUWYOB-QTOWHEFOSA-N 503.596 2.256 0 40 KEAB CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCC2)CCC(=O)NC2(CCCC2)C(=O)N1 643571456 ASYFPJIQNPVMTF-ZEQRLZLVSA-N 555.720 2.130 0 40 KEAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6208149 STDXKLUKYPFFDH-XIFFEERXSA-N 504.565 2.047 0 40 KEAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N2CCC(C(=O)OC)CC2)CC1 8918155 OAWCVDIHMTVSBA-CVDCTZTESA-N 521.680 2.338 0 40 KEAB biogenic CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 11867017 NRWWDWSXURLFSF-ONOMSOESSA-N 541.645 2.209 0 40 KEAB COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1 16957257 FWDCPRAKGPLWCI-BZZOAKBMSA-N 514.560 2.182 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 59838795 HSMNDVUFPVNTFM-UHFFFAOYSA-N 572.105 2.087 0 40 KEAB CC(C)C(=O)Nc1nc(OC(=O)N(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 70672524 QOZZETQXMWDKFZ-GUQHISFFSA-N 548.556 2.369 0 40 KEAB biogenic COc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5Cl)c4n3)CC2)ccc1-n1cnnn1 100446257 RMRCTEPMRZWPQH-UHFFFAOYSA-N 583.034 2.181 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3nnc(NC(=O)c4ccccc4C)s3)CC2)cc1 222740494 XBKRMRWNOAUTJZ-UHFFFAOYSA-N 521.646 2.102 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@H](C)/C(=N/[C@H](C)[C@@H](O)[C@]1(C)O)O2 253387717 BPENQAXMHXRNMD-QYXPCGCQSA-N 730.937 2.405 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCn3cccn3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 585275086 VZCGOKORCIEEMR-MHZLTWQESA-N 530.572 2.341 0 40 KEAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(c3ccccc3)CC1)n2CCSc1nc2ccccc2[nH]1 1270016 QZQDUIRWBPNYQP-UHFFFAOYSA-N 502.604 2.419 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6601633 LCIDNHXXQYQFLZ-OAQYLSRUSA-N 543.577 2.429 0 40 KEAB COCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc2c(c1)OCO2)OCO3 8673646 HIEVTALNMKRZGN-UHFFFAOYSA-N 570.624 2.195 0 40 KEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 12563627 RJXLLSOCXDWRQP-UHFFFAOYSA-N 515.613 2.438 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc(NC[C@H]3CCCO3)c3ccccc3n2)cc1 34138681 USZNBXYLNBUEFW-QGZVFWFLSA-N 501.634 2.319 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)cc1 59852140 RVFITLHVGCQBDK-UHFFFAOYSA-N 530.068 2.460 0 40 KEAB CC(C)CN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)[C@H]1CCS(=O)(=O)C1 102994519 HSEKWKLLLNUACW-QHCPKHFHSA-N 548.683 2.262 0 40 KEAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)O[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 103093719 UOQGWWSWRQHKGA-SFHVURJKSA-N 554.600 2.248 0 40 KEAB COc1ccc(CNC(=O)C[C@@H]2N=C3c4ccccc4N=C(SCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)N3C2=O)cc1 150425072 ZYCGPRJMVWRFRO-VWLOTQADSA-N 634.740 2.100 0 40 KEAB CCOC(=O)CNc1nn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=O 150531155 YIBGABDTNWKKJI-PTSPBZQHSA-N 658.620 2.112 0 40 KEAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222703213 CRQHLBIDGRPGIG-JOCHJYFZSA-N 547.674 2.046 0 40 KEAB CC(C)C[C@@H]1NC(=O)[C@H]([C@H](C)c2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O 252463629 JYHXDMQYXCMDPF-YNAXKWOSSA-N 786.975 2.075 0 40 KEAB biogenic,in-vitro COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1OC 409206369 NLWHFWVQLAOWCT-UHFFFAOYSA-N 513.572 2.341 0 40 KEAB C[C@]1(Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(=O)O)oc3c2)O[C@](C)(CO)[C@](C)(O)[C@](C)(O)[C@@]1(C)O 585162757 YGFZTYGCKCRFHN-LLQHYSMESA-N 572.563 2.059 0 40 KEAB biogenic CC1(C)NC(=O)N(CCOc2ccc(CN3CCOC[C@@](O)(COc4cccc(F)c4)C3)cc2)C1=O 585279574 DGEYFWMJMKCMPJ-AREMUKBSSA-N 501.555 2.177 0 40 KEAB Cc1nonc1COc1ccc(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)cc1 643564215 YUVQKMWOSMGMRG-IBGZPJMESA-N 513.595 2.001 0 40 KEAB Cc1cc(C(=O)N2CC[C@@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)nc(O)n1 2037879927 XRQDGFGQVYSLPT-SGNDLWITSA-N 547.656 2.312 0 40 KEAB COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)n(-c2ccc(I)cc2)c(=O)[nH]c1=O 2268254 PKTJGGURKIYKQK-OAHLLOKOSA-N 522.251 2.113 0 40 KEAB COc1ccc(N2C(=O)C[C@H](NCCCCCCN[C@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)C2=O)cc1 102229465 AEHDHARNOIPPCZ-ZEQRLZLVSA-N 522.602 2.407 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)c1 102349835 PVIIEMSTSMXWJX-UHFFFAOYSA-N 527.628 2.342 0 40 KEAB COc1ccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 224478150 MPBGBMNCEVLSJA-SFHVURJKSA-N 501.605 2.419 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](O[C@@H]2CC[C@]34C[C@]35C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@H](O)C[C@@]3(C)[C@H]5CC[C@H]4C2(C)C)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O 253500676 IRXIEUDBDWXTTL-ARDXVTNDSA-N 825.002 2.034 0 40 KEAB biogenic,in-vitro COCC(=O)N1CCN(Cc2cccc(OCCn3ccnc3)c2)C[C@](O)(COc2ccc(C)cc2)C1 585273176 AYWLCQWRXUHDOE-MUUNZHRXSA-N 508.619 2.371 0 40 KEAB O=C(C[C@@]1(COc2ccc(F)cc2)CN(C(=O)Cc2ccc3c(c2)OCO3)CCO1)N1CCOCC1 585283181 CYEKTHMMODDODS-SANMLTNESA-N 500.523 2.022 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1OC 6546982 HRWJICSGFRHXGK-NRFANRHFSA-N 543.577 2.348 0 40 KEAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)c1 59851961 BKKOXFQUVNTRMC-UHFFFAOYSA-N 575.665 2.212 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 222998352 PIROTCSHOFEQMK-NRFANRHFSA-N 503.621 2.476 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223045173 GUSRHQFSUSOCQZ-NRFANRHFSA-N 503.621 2.476 0 40 KEAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)Oc3ccccc32)cc1 224455933 QPFOXNXNEOBJJQ-MHZLTWQESA-N 601.703 2.167 0 40 KEAB COC(=O)CSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3ccccc3O2)s1 225840855 ZFJFVZWMOLMKQR-QGZVFWFLSA-N 536.613 2.407 0 40 KEAB COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NCc2ccccn2)ccc1OC(C)=O 409381802 WIVJPTZKPKIKBA-FTJBHMTQSA-N 624.555 2.101 0 40 KEAB O=C1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccc(O)cc2)N1 643567723 SPGNFVCNSLHAKD-NSOVKSMOSA-N 632.689 2.121 0 40 KEAB CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(Cc3ccccc3Cl)C[C@H]21 1534612762 KHJFJIBWVXZMGT-PWWKTKHKSA-N 536.094 2.450 0 40 KEAB COC(=O)CCC[C@@H]1[C@H]2SC[C@](NC(=O)c3ccccc3)(C2=O)[C@@]2(O)[C@@H](NC(=O)c3ccccc3)CS[C@H]12 3881706 KRLFWXIDUTYSLM-XIHFPTILSA-N 554.690 2.458 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 22513500 JSAYHWYEEBROGT-UHFFFAOYSA-N 516.601 2.464 0 40 KEAB COc1cc(/C=c2\sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)ccc1O 33354200 QEUQPXVRXITPMN-WPTCVENBSA-N 527.606 2.333 0 40 KEAB COc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cc(C)ccc5C)c4n3)CC2)ccc1-n1cnnn1 100445841 GFZTVYDZQLNGTO-UHFFFAOYSA-N 576.643 2.145 0 40 KEAB COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2cc(OC)ccc21 100877007 LYHVYCLLBUOBCC-NZOPGYSESA-N 533.628 2.423 0 40 KEAB CC(=O)[C@H](C(=O)CCSC[C@H](N)C(=O)O)[C@@H](SC[C@H](N)C(=O)O)c1ccc(Cl)c(Cl)c1 104234099 FYDJWCHKJAVRTB-DIECFANBSA-N 511.449 2.489 0 40 KEAB CC(=O)OCC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@]4(O)C[C@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@H]3CC[C@]12C 118933484 ZTWWQCOHUBHIGI-XOQOCFKCSA-N 508.608 2.482 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 224319617 HHOGMEWOJHRXHA-UHFFFAOYSA-N 553.678 2.347 0 40 KEAB C[C@@H](CC(=O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@](C)(C(=O)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@@H](O)C[C@@H](O)[C@@]4(C)[C@@H]3CC[C@@]12C 253623429 NIINJHJECORGKU-KNIKIRHGSA-N 666.849 2.099 0 40 KEAB biogenic,in-vitro O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)Cc3c(F)cccc3Cl)CC2)CN1 643566812 XKIPDJVLQSWBHC-FCHUYYIVSA-N 504.986 2.494 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)COc3cccc4c3OC(C)(C)C4)CC2)cc1 23080670 LNKLBPHXBOLYHF-UHFFFAOYSA-N 502.589 2.164 0 40 KEAB O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NC[C@@H]3CCCO3)N2C1=O)NCc1ccc2c(c1)OCO2 102737507 NNBNGUBQKWNUDZ-RXVVDRJESA-N 563.636 2.499 0 40 KEAB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OCC(=O)N[C@@H](CCCNC(N)=O)C(=O)O 256028106 UCUQVSRVKQDAGE-INIZCTEOSA-N 502.549 2.184 0 40 KEAB C[C@@]1(O)CC2(CCN(C(=O)CCCc3nc4cc(Cl)ccc4[nH]3)CC2)OC[C@H]1n1ccc(N)nc1=O 257342436 ZOPGDRGHJMDSCV-NTKDMRAZSA-N 515.014 2.452 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 260918166 SNFZNXIZIMODTC-GOSISDBHSA-N 519.620 2.379 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 642883056 VOWJAFYNABYJKY-JAPKNBDUSA-N 785.025 2.149 0 40 KEAB CC(=O)N1CCC(C(=O)N(C)CCC[C@H]2C(=O)N(C)CCCCc3ccccc3OCC(=O)N2C)CC1 643560415 XVEVWYBXMMFYCJ-DEOSSOPVSA-N 514.667 2.184 0 40 KEAB CS(=O)(=O)N1CCN(Cc2cccnc2)C[C@@H](C(=O)NCCN2CCC3(CCCCCc4ccccc4OCCNC3=O)CC2)C1 643561227 CMJJTXIJRLMMCF-SSEXGKCCSA-N 654.878 2.285 0 40 KEAB CCOCCNC(=O)[C@@H]1CCC(=O)NC2(CCCCC2)C(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N1 643577909 JDBPNEYXKGFXTQ-FCHUYYIVSA-N 530.666 2.070 0 40 KEAB CC(=O)c1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc(-n5ccnc5)cc4)CO[C@H]23)cc1 4147852 RDQCAHOJKMFWGB-MYDTUXCISA-N 516.518 2.383 0 40 KEAB biogenic,in-vitro C/C(Cl)=C\Cn1c(SCCSc2nc3c(c(=O)[nH]c(=O)n3C)n2C/C=C(\C)Cl)nc2c1c(=O)[nH]c(=O)n2C 4390871 PDNUDELLEPWWEV-YDWXAUTNSA-N 599.526 2.330 0 40 KEAB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)co2)s1 16047752 MBMJUJXONNZZGF-UHFFFAOYSA-N 510.575 2.212 0 40 KEAB CN(Cc1ccccc1)C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 16188574 PRGYANDOSGPWMB-DEOSSOPVSA-N 513.641 2.409 0 40 KEAB CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70704655 YVVVWZQDFLNPLG-RJGXRXQPSA-N 554.669 2.327 0 40 KEAB biogenic CC(=O)N1CC2(CCN(C(=O)C[C@@H]3NC(=O)[C@H](Cc4ccccc4)NC3=O)CC2)c2cc(Cl)ccc21 96156928 KEBWTXSSWWPYSF-VXKWHMMOSA-N 509.006 2.183 0 40 KEAB COc1ccc(Br)cc1CC1(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C(=O)N(C)C1=O 100746024 KNQBJTVAWXBVRC-WMZOPIPTSA-N 557.445 2.318 0 40 KEAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1 103096724 QXIYJKCIJLCKFC-OAHLLOKOSA-N 533.584 2.327 0 40 KEAB CS(=O)(=O)N(CCCC(=O)NCc1ccccc1CN1CCCC1=O)c1ccc2c(c1)OCCO2 222792447 BXRKMVYRGLKHOU-UHFFFAOYSA-N 501.605 2.443 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408861915 GSCRKYMSOUXRSD-LYRGBEMXSA-N 548.621 2.006 0 40 KEAB CCN1CC(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccc2F)CC1=O 643574581 BKQCSRHFYARFDI-UHSQPCAPSA-N 645.732 2.100 0 40 KEAB CC[C@@H](c1nnc(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)n1CCN1CCOCC1)N(C)C 24001827 IISBZSRRACIQKU-SFHVURJKSA-N 517.656 2.169 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc2c(c1)OCCO2 30864986 GTCPXUJBNJXODS-UHFFFAOYSA-N 518.573 2.058 0 40 KEAB CCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)CC1 67337481 USYSTTOCOWVYAA-UHFFFAOYSA-N 502.685 2.199 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](C)Cn4nc(C)c(Cl)c4C)[C@H]3SC2)s1 97947830 AOCKKLGPVFUIDD-CCNVSQGKSA-N 543.096 2.480 0 40 KEAB CCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 102920814 BSHZOFNMIWCXCJ-UHFFFAOYSA-N 544.081 2.425 0 40 KEAB CCCOc1ccc(S(=O)(=O)NCC[C@H]2CCCN2C)cc1C(=O)Nc1c(CCC)nn(C)c1C(N)=O 136539405 AVDNPWLQNUSNCB-QGZVFWFLSA-N 534.683 2.275 0 40 KEAB in-vitro CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1 408657898 PTFTXPYTWMZBPR-MRXNPFEDSA-N 532.347 2.301 0 40 KEAB COc1ccc(CC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1 12498153 QYMCWGHGXZHHGG-UHFFFAOYSA-N 517.604 2.041 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2F)CC1)Nc1cccc(C(F)(F)F)c1 19818669 NYGCIRMVBZQAKC-NRFANRHFSA-N 521.515 2.322 0 40 KEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)n1 20111709 QAYSIZHTBPSGJM-HXUWFJFHSA-N 517.589 2.060 0 40 KEAB C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222702633 LQNBNYWHTKWNCG-QFIPXVFZSA-N 552.653 2.215 0 40 KEAB CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@H]4CC[C@H]5[C@](C)(C(=O)O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@@H](O)C[C@@H](O)[C@@]5(C)[C@@H]4CC[C@@]23C)O1 253529781 RMRBTLGKWDDWSB-RHXKEKPUSA-N 668.865 2.035 0 40 KEAB biogenic,in-vitro CCN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)OC)c(I)c2)C1=O 409167439 LAIRJARFXPWJDU-IZZDOVSWSA-N 556.094 2.360 0 40 KEAB CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O 643575352 CZULMQBLQLDXTK-PFDXXMEMSA-N 724.859 2.381 0 40 KEAB COc1cc(C)ccc1OCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1 643579193 TUQLXPBOXIJZPD-UIOOFZCWSA-N 602.688 2.266 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N[C@@H]2CCCOC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643584455 AXMRSNGTNNZHEB-AFESJLNVSA-N 564.683 2.219 0 40 KEAB CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCCC(=O)[C@@H](C)O)NC(=O)[C@H]2CCCCN2C1=O 1775964276 ZXVFNKFMGQIBFI-BDVBWOLYSA-N 570.731 2.025 0 40 KEAB biogenic,in-vitro Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)n1 3213112 ASJZZEGYZDKPCU-UHFFFAOYSA-N 531.616 2.167 0 40 KEAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1 9412910 CXXYKCPCHKZHCW-UHFFFAOYSA-N 520.564 2.290 0 40 KEAB Cc1cccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c12 19941526 WIFGNIXYWDUZSB-AUSIDOKSSA-N 503.563 2.142 0 40 KEAB CC(=O)OC[C@H](CN(C)C(=O)c1c(I)c(N)c(I)c(C(=O)N(C)C[C@@H](COC(C)=O)OC(C)=O)c1I)OC(C)=O 150342731 SOIDLTXGVBBTRF-HOTGVXAUSA-N 901.227 2.216 0 40 KEAB in-vitro CCOc1ccc(-c2noc(CNC(=O)CCc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)n2)cc1 222970618 OCNNVANDCBBHKX-UHFFFAOYSA-N 530.603 2.414 0 40 KEAB CC(C)Oc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1 224331636 BHNMCKCUASNNQT-UHFFFAOYSA-N 539.676 2.220 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 224469850 XLIXSFDDMDWQPA-SFHVURJKSA-N 519.620 2.379 0 40 KEAB COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)CC1=O 408653540 IKMPVOFJIGUPMY-AWEZNQCLSA-N 534.363 2.450 0 40 KEAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)O)cc4)c(=O)n32)cc1OCC 408932901 FPNNJSOMRJBGJU-IZBTWGKQSA-N 538.578 2.279 0 40 KEAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/[C@@H]4C(=O)NC(=S)N(c5ccc(C)c(C)c5)C4=O)c(=O)n32)cc1OCC 408935210 MZKMLWWTQLJHSN-XLXZXCINSA-N 634.736 2.448 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21 409390365 UWOJIPBOKYCEJN-PIJNJCDPSA-N 605.669 2.484 0 40 KEAB CN([C@H]1CCCN(C(=O)CN2CCC3(CCCCc4ccccc4OCCNC3=O)CC2)CC1)S(C)(=O)=O 643559000 YGVXYBSEIYQGFX-DEOSSOPVSA-N 548.750 2.263 0 40 KEAB COc1ccc(C(=O)Nc2ccc(-c3nnn(CC(=O)N4CCN(C(=O)c5ccco5)CC4)n3)cc2)cc1 1339634 RWXMNAXRYXFAAX-UHFFFAOYSA-N 515.530 2.179 0 40 KEAB O=C(OC[C@H]1O[C@@H](n2cc[n+]([O-])nc2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 5372886 QKHVECNFTGXDFP-WSOYEBOPSA-N 557.515 2.082 0 40 KEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)C1=O 103053480 GJNWJCNUZQPWJD-NDEPHWFRSA-N 532.601 2.013 0 40 KEAB CCOC(=O)c1sc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C)cc2)c(C(=O)OCC)c1C 103088518 OFNRWNZKADPLPB-UHFFFAOYSA-N 526.589 2.179 0 40 KEAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)CNC(=O)CNS(=O)(=O)c3ccc(C)cc3)cc2)cc1 107691050 XECIILKWINWXMR-UHFFFAOYSA-N 538.578 2.343 0 40 KEAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1 138764157 DPNQDIBQECQJPH-HNNXBMFYSA-N 517.336 2.083 0 40 KEAB CCN1C(=O)C(C(c2ccc(C(C3C(=O)N(CC)C(=S)N(CC)C3=O)C3C(=O)N(CC)C(=S)N(CC)C3=O)cc2)C2C(=O)N(CC)C(=S)N(CC)C2=O)C(=O)N(CC)C1=S 150379369 TZRLVPWBJHKBBZ-UHFFFAOYSA-N 899.156 2.301 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 408861407 RQQIKGBNCNJYIN-LYRGBEMXSA-N 548.621 2.006 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)N(C)CCOc2ccccc2F)NC(=O)c2ccccc2OCCN(C)C1=O 643578744 HLTCOLYHDNONPJ-GOTSBHOMSA-N 556.635 2.233 0 40 KEAB COc1nsnc1NS(=O)(=O)c1ccc(NC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 2138886 MRQNJLSAPXCBIC-UONOGXRCSA-N 518.646 2.325 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F 6547130 KJPRXRTWIWVXSZ-FQEVSTJZSA-N 529.550 2.039 0 40 KEAB CCCNS(=O)(=O)c1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OC 20033276 AKZLZCDBIFKLNL-UHFFFAOYSA-N 509.650 2.488 0 40 KEAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)c1 26117697 DVYFHHIYNSYMCY-UHFFFAOYSA-N 508.574 2.255 0 40 KEAB COc1cccc(CNC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)c1 72332059 KYBQZFDHPNYMMV-UHFFFAOYSA-N 504.543 2.293 0 40 KEAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222518802 NLGUOFZBJOIPGM-QFIPXVFZSA-N 509.559 2.356 0 40 KEAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl 224484370 FGDDRLFKADIIFF-SFHVURJKSA-N 560.094 2.019 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](O[C@H](C)[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253535128 OWMZHUQIGVVXJE-RSAHVBDGSA-N 959.904 2.003 0 40 KEAB C[C@@]1(O)CC2(CCN(C(=O)c3ccc4nc(C(F)(F)F)[nH]c4c3)CC2)OC[C@H]1n1cc(F)c(O)nc1=O 257210046 BSXLEIBUNFPUMT-IIBYNOLFSA-N 525.459 2.371 0 40 KEAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 408659993 UHLFYMNSSWHRGC-AWEZNQCLSA-N 508.314 2.455 0 40 KEAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)c1 408661482 VYPOMCWQJPVBSW-MRXNPFEDSA-N 502.321 2.327 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 408981529 ICMIXLTUCOHTPJ-LAINMTBBSA-N 514.581 2.332 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c(=O)[nH]c1=O 12860891 QNVLYBONMUROQU-UHFFFAOYSA-N 535.667 2.017 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)c(=O)[nH]c1=O 12914622 HMGBPUTVOVDHNF-UHFFFAOYSA-N 519.558 2.321 0 40 KEAB COc1ccc(CCNC(=O)c2c(N)n(CCN3CCOCC3)c3nc4ccccc4nc23)cc1OC 19939260 PEGKGULYAXFYSA-UHFFFAOYSA-N 504.591 2.489 0 40 KEAB CC[C@H](CCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1 100504302 PWKRIVHAEAYCHH-VCIVZNJGSA-N 561.749 2.235 0 40 KEAB in-vitro CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N([C@@H](C)C(=O)O)C(=O)[C@H]45)[C@H]23)ccc1O 100922637 XUUMTQZOYYLJEH-SADISHRDSA-N 516.597 2.487 0 40 KEAB C[C@@H](C(=O)NCc1cccnc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222702784 BSJKECQRYNQXOP-QFIPXVFZSA-N 552.653 2.215 0 40 KEAB COCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 222743966 MFGGCKRZCDZRSD-RUZDIDTESA-N 539.610 2.101 0 40 KEAB CCOc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O 224366554 SDJXPZVWDXJMQY-UHFFFAOYSA-N 539.676 2.221 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 226075685 GRSRQDWUWNNIQJ-UHFFFAOYSA-N 530.068 2.113 0 40 KEAB C[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCCC2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O 643566716 XOIRXDALEDIBLW-RMDSEJHCSA-N 577.726 2.134 0 40 KEAB COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)cc1 643566926 LKESISHLTIHYGW-MHZHKKNFSA-N 614.699 2.490 0 40 KEAB CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)C[C@@H]3OC[C@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@@H](OC(=O)[C@@H](O)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 2061001045 ZVEGOBHUZTXSFK-RIYGNFAFSA-N 986.033 2.199 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C(F)F)c(Cl)c4C)[C@H]3SC2)s1 2732813 UKYSLASHEMIDQU-BLLLJJGKSA-N 551.022 2.473 0 40 KEAB Cc1oc2cc3oc(=O)c(CC(=O)NCC(=O)N[C@@H](C(=O)NCCCC(=O)O)C(C)C)c(C)c3cc2c1C 8876383 JIVVNPIECVQRQS-RUZDIDTESA-N 527.574 2.245 0 40 KEAB biogenic CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 22866292 JOBQHYICAOBHLX-SANMLTNESA-N 547.616 2.196 0 40 KEAB COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc(OC)c1OC 222792648 LTHVEYZTBPSHST-UHFFFAOYSA-N 508.593 2.079 0 40 KEAB CC(=O)N1CCC(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCN(C)CC3)C2)CC1 257263159 LOQWGROCNOGNPR-URXFXBBRSA-N 505.059 2.359 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 260902137 OLLNSDVEGQTFGF-LJQANCHMSA-N 533.647 2.422 0 40 KEAB Nc1ncc(C(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)s1 643578030 LVEJZBHDHWTALF-LEWJYISDSA-N 516.664 2.289 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 6546673 QJYCGISZHNCDKF-LJQANCHMSA-N 517.514 2.170 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(N)(=O)=O)cc3)C2)cc1Cl 20032227 ACMWIEZWCMNWOC-MRXNPFEDSA-N 516.041 2.103 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C2CCCCC2)CC1)OCO3 20080852 KNZGKSKDOAKUAP-NBGIEHNGSA-N 521.622 2.462 0 40 KEAB COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 22869362 IMFFALFPTNLAMM-AMGIVPHBSA-N 559.627 2.338 0 40 KEAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22940537 HYUDQDCYDMSPSQ-IBGZPJMESA-N 500.621 2.345 0 40 KEAB C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224302949 PHZGLHVZJIULCL-QGZVFWFLSA-N 530.068 2.474 0 40 KEAB CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn([C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)n2)cc1 255972781 FVBDVTHTYLLSQE-DNAQHQBMSA-N 604.664 2.316 0 40 KEAB COc1cccc(CN2C(=O)N[C@](NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)C2=O)c1OC 1868586 XKEWBOZUWGKEAA-QFIPXVFZSA-N 527.452 2.470 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(F)cc4F)o3)[C@H]2SC1 9431603 DOFPZHNBLIUWEV-LAUBAEHRSA-N 508.455 2.052 0 40 KEAB O=C1NCCN(C(=O)COc2ccc(Cl)cc2Cl)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164463 AXEPDCFBVWOVSR-FQEVSTJZSA-N 505.402 2.438 0 40 KEAB COCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)N3CCCCC3)c2=O)cc1 101273627 UWKJYLQJMMASMV-UHFFFAOYSA-N 552.628 2.008 0 40 KEAB O=c1nc2n(c(O)c1[C@@H](c1ccc3c(c1)OCO3)c1c(O)nc3n(c1=O)CCCS3)CCCS2 102863754 OSVYAAHVMDRKNW-AWEZNQCLSA-N 500.558 2.112 0 40 KEAB CCOc1cc(C(=O)CCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1O 103058333 VKOODKXOASKXJD-UHFFFAOYSA-N 539.006 2.484 0 40 KEAB CC(=O)OC[C@@H](CN(C)C(=O)c1c(I)c(N)c(I)c(C(=O)N(C)C[C@H](COC(C)=O)OC(C)=O)c1I)OC(C)=O 150342733 SOIDLTXGVBBTRF-HZPDHXFCSA-N 901.227 2.216 0 40 KEAB in-vitro O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 224349824 OISQDWAJISAFSF-LJQANCHMSA-N 539.651 2.206 0 40 KEAB CCCNS(=O)(=O)c1ccc(CCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 226053002 BTDFHTVLAPXHCO-UHFFFAOYSA-N 507.678 2.451 0 40 KEAB C[C@@H]1O[C@H](O[C@@H]2[C@H](O)C[C@H](O[C@@H]3[C@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)[C@@H](O)C[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@H]1O 253499040 LKRDZKPBAOKJBT-AVHCNGAWSA-N 780.949 2.218 0 40 KEAB biogenic O=C1N[C@@H]2CCN(CC(=O)N3CCCC3)C[C@@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1 1615128674 UWOICDOHQQSEQG-JIMJEQGWSA-N 522.690 2.290 0 40 KEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 3458232 IHTPGYJMOPXLOB-FYJFLYSWSA-N 527.024 2.049 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@H](C)n4cc(Cl)c(C)n4)[C@H]3SC2)s1 9974936 OMERHHWMZXXOBP-FUEZOXIYSA-N 515.042 2.097 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1 20676568 APFTWXYJBMTETB-OAQYLSRUSA-N 504.418 2.471 0 40 KEAB O=C(c1ccc2c(=O)n3c(nc2c1)CCC3)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 32971798 DIEOIYTWXHZXHB-UHFFFAOYSA-N 517.405 2.252 0 40 KEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1 38140780 JKDGAWNXYZSLHK-INIZCTEOSA-N 531.587 2.403 0 40 KEAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)c(OC)c1 60028265 ZVLAAVKVVXKSDM-UHFFFAOYSA-N 535.604 2.008 0 40 KEAB CCOCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222703283 CRQHLBIDGRPGIG-QFIPXVFZSA-N 547.674 2.046 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224486361 KXZVFIVJSIUHFT-QHCPKHFHSA-N 574.121 2.409 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 225002470 ABEJSKMHVRKZEX-SFHVURJKSA-N 508.616 2.391 0 40 KEAB O=C1CCCN1CCC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCOCC2)C1 257275933 NROXYIODAKCBJW-RXVVDRJESA-N 522.440 2.306 0 40 KEAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 408713818 ZOILQSKFNHXJJM-IBGZPJMESA-N 519.595 2.308 0 40 KEAB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)N5CCOCC5)c(OC)c4)c(=O)n32)cc1 409165243 VEHILLCGXXPVQM-MFISQUFLSA-N 621.712 2.442 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OC[C@@H](C(C)C)NC1=O 643565451 ZKZSMHZBYAGGTQ-SDHOMARFSA-N 557.736 2.231 0 40 KEAB CC(C)[C@H]1NC(=O)[C@H](C)NC(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643569402 TUYVCBSIRZSDPH-OZNNBAMKSA-N 667.779 2.112 0 40 KEAB O=C1C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)N1 643580295 BCMYCYPNZPQHTM-QXUSSCGESA-N 790.918 2.383 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 8417137 KVKPMJCOWPEUBL-FFQWJZDTSA-N 562.597 2.499 0 40 KEAB C[C@@H](OC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 12546994 XXSWJVNFPOWIDS-FTJUBABDSA-N 529.615 2.128 0 40 KEAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 12591325 WVSUUBVPQCYLIJ-UHFFFAOYSA-N 523.995 2.249 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c(=O)[nH]c1=O 12867090 VOVMBCDWAHZWHE-HDICACEKSA-N 535.667 2.020 0 40 KEAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1C(=O)N1CCOCC1 26117798 BNPQEQLFXLWFLF-UHFFFAOYSA-N 505.618 2.154 0 40 KEAB COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)c1 59781027 CXXLMHDRZYUSJB-JOCHJYFZSA-N 534.444 2.480 0 40 KEAB COc1ccc(NS(=O)(=O)c2ccc3oc(SCC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)nc3c2)cc1 103088349 IOWITLUWUSQYRW-OAHLLOKOSA-N 525.630 2.375 0 40 KEAB CS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 223020406 YRLTXKHOQAKZNZ-QFIPXVFZSA-N 501.586 2.331 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 223389223 ZEQQBBIQXVISQG-FQEVSTJZSA-N 507.609 2.032 0 40 KEAB COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)N5CCOCC5)c(OC)c4)c(=O)n32)c1 409154290 GMYLNIMAJOKNDM-SFKHYTNKSA-N 621.712 2.442 0 40 KEAB CS(=O)(=O)N1CCN(C2CCOCC2)C[C@@H](C(=O)N2CCC3(CCCCc4ccccc4OCCCNC3=O)CC2)C1 643559871 GHFPHUZPSVELFW-AREMUKBSSA-N 604.814 2.279 0 40 KEAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 19941598 LOKGKOMYDRFEHM-HYBUGGRVSA-N 517.590 2.451 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@@H](C)C(=O)O)C(=O)[C@@H]23)ccc1O 100872406 PZCVHTJSHJYMSA-MMWUAZLESA-N 502.570 2.097 0 40 KEAB CCOC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5ccc(OC)c(OC)c5)[C@H]34)[C@@H]2C1=O 100902136 ILIWIHNLKASJOV-NZUHJSBYSA-N 530.624 2.490 0 40 KEAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 103122938 NKFRLSMUNIMRSI-NSHDSACASA-N 521.901 2.112 0 40 KEAB O=c1n(C[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c2ccccc2n1C[C@@H](O)CN1CCN(Cc2ccccc2)CC1 103559847 LIQWPQFTKPEFJH-ACHIHNKUSA-N 598.792 2.160 0 40 KEAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 226054375 FPJKIEWGXSSWNK-UHFFFAOYSA-N 523.677 2.206 0 40 KEAB C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 260714365 CGRRJNWXOCHKKN-WMZHIEFXSA-N 505.612 2.300 0 40 KEAB C[C@@H](C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408703484 GDYLZGOPDDYKPA-FUHWJXTLSA-N 503.577 2.160 0 40 KEAB CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1OC 409138698 GTVNIEFGTNCIMI-WUXMJOGZSA-N 521.285 2.363 0 40 KEAB COC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OC 409243468 YWQWRNJZPBLVHI-CXUHLZMHSA-N 595.346 2.392 0 40 KEAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCn3c(=O)c(=O)[nH]c4ccccc43)c(=O)cc1[C@@H](NC(C)=O)CC2 604405067 VHCMTXGKHLVNTL-MBSDFSHPSA-N 643.697 2.483 0 40 KEAB biogenic Cc1noc(C)c1CN1CCC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548890583 UAOLEIYVUZSOQA-NOZRDPDXSA-N 581.695 2.411 0 40 KEAB NC(=O)C[C@H](NC(=O)c1cc(Cl)ccc1OCCNCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 2037879967 ZTPAWJGIRQJKLU-ZEQRLZLVSA-N 583.041 2.000 0 40 KEAB COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 3288057 PANRGOOEFKDBOU-UHFFFAOYSA-N 517.585 2.017 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 3309949 NQUBDNMASGKDMC-NTEUORMPSA-N 511.625 2.458 0 40 KEAB COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OCC(=O)N1CCOCC1 32999403 XYKQHSMJNQRAOS-UHFFFAOYSA-N 517.604 2.360 0 40 KEAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](C)C(=O)NCCCO)cc1 222950281 LUIKEULFYFBHCV-OAQYLSRUSA-N 531.675 2.328 0 40 KEAB COC(=O)CSc1nnc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)s1 225696214 RONDKENFIVEVHH-CQSZACIVSA-N 500.624 2.266 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=C(C(=O)OC(C)C)[C@@H]1c1ccc(OC)cc1 1902483 QSHOVOSIKPNDHC-PHCAOYFPSA-N 550.633 2.346 0 40 KEAB CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1 9620976 BOSPIZLMIPPJJD-UHFFFAOYSA-N 526.457 2.294 0 40 KEAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)cc1S(=O)(=O)N1CCOCC1 12567122 OZGPSGFQSUFEGQ-INIZCTEOSA-N 505.618 2.430 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCNC(=O)c1ccc(Br)cc1 38140494 SHJQAXBUNUUVBE-UHFFFAOYSA-N 526.409 2.237 0 40 KEAB CCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)n1 67337471 LXWUMWQBMPCXDT-UHFFFAOYSA-N 517.652 2.010 0 40 KEAB COc1ccc(-c2noc(CNC(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)n2)cc1 225735369 OOPNMWRUQQUZCJ-UHFFFAOYSA-N 502.549 2.379 0 40 KEAB O=S1(=O)C[C@@H](O)[C@@H](N(CCNS(=O)(=O)c2ccc3ccccc3c2)S(=O)(=O)c2ccc3ccccc3c2)C1 575420240 BBHQMJSQCLBCSA-IZZNHLLZSA-N 574.702 2.120 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C 6547199 IICNCYFALHUYST-SFHVURJKSA-N 501.590 2.262 0 40 KEAB CC[C@@H](C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 6631719 HXZWBLHGOXFQTD-PMACEKPBSA-N 500.600 2.202 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CCCO)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1 7060471 LCWUVIPVWGUSGJ-DEOSSOPVSA-N 510.570 2.499 0 40 KEAB COc1ccc(CN[C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)cc1 19911950 JSQJESSMGVPPEO-SFHVURJKSA-N 506.795 2.442 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2C)CCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 70691675 LIVSBWIOFFHOTO-NYZPJPFGSA-N 546.525 2.052 0 40 KEAB biogenic CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC(C(=O)N[C@H](CC(N)=O)C(=O)O)(c2ccccc2)CC1 70704501 CNTXDOYFHRQVFM-RPWUZVMVSA-N 578.666 2.354 0 40 KEAB biogenic CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)nc1-c1ccccc1 102852182 VXTLRCHGSVQQRU-UHFFFAOYSA-N 545.643 2.464 0 40 KEAB CC1(C)C[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@](C)(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 150480170 CUHVRZXBQZGONF-DICHSLLOSA-N 676.858 2.473 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)C2=O)o1 409399860 OBMSHTVOBNWAOU-MLPAPPSSSA-N 556.265 2.236 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)Cc2cccc(c2)C(=O)NCCOCCO3)cc1 643573017 MXBHPNFEVZTQJC-UHFFFAOYSA-N 523.611 2.036 0 40 KEAB CCN1CC(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CC1=O 643574815 SFXDOCPNWVDHGP-UHSQPCAPSA-N 678.186 2.451 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccccc1OC 685326 XBHXKOIZLLIIKT-OFVJEAJMSA-N 522.627 2.152 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 2665708 OMMKRPTUPJAHJA-IZBTWGKQSA-N 536.562 2.267 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 225659416 CVZIGXSJKUDZHF-SFHVURJKSA-N 519.620 2.174 0 40 KEAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 226009931 JVVBWXOMQKMZCI-UHFFFAOYSA-N 545.683 2.332 0 40 KEAB CC(=O)N1CCCN(CC(C)C)CCN(C(=O)c2cnn([C@@H]3CCN(S(C)(=O)=O)C3)c2)Cc2ccccc21 643561277 DKFIXKVILMTPKO-RUZDIDTESA-N 544.722 2.447 0 40 KEAB CC[C@H](C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643569584 KJRJVXRFBMHKQQ-CZZAQMAHSA-N 540.636 2.445 0 40 KEAB COc1cc(C)ccc1OCCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)CCOc2ccccc2C(=O)N1 643579783 FCAIYMNMSJJUOX-SVBPBHIXSA-N 632.714 2.361 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 685360 YAKACQBIFZKQDQ-WNPPMXKSSA-N 510.591 2.282 0 40 KEAB CCCCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(OC)cc1 1886320 HPKQRWXTRWYHCJ-CSMMYAOASA-N 550.633 2.348 0 40 KEAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(N)=O 6190508 SKCBOHGILGKGJY-GXRSIYKFSA-N 553.745 2.464 0 40 KEAB COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1OC 9591405 KDDRNJMUBWMRJH-HNNXBMFYSA-N 505.321 2.386 0 40 KEAB COc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(OC)c(C)cc3OC)[C@@H](C)C2)c(OC)cc1C 16780564 AKGCOTKFOLRBFK-KRWDZBQOSA-N 528.649 2.422 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2F)CC1)Nc1cccc2ccccc12 19961707 HJEIHTRBBZQMJV-VWLOTQADSA-N 503.578 2.457 0 40 KEAB CCOC(=O)C1=C(COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)NC(=O)N[C@H]1c1ccco1 24002389 OTFRGZOABABQDV-IBGZPJMESA-N 523.589 2.156 0 40 KEAB CC[C@@H](CCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1 76945088 PWKRIVHAEAYCHH-CHXKEFDPSA-N 561.749 2.235 0 40 KEAB in-vitro COC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)sc2c1CC[C@H](C)C2 97981506 NLJCVUNCGAVJEI-INIZCTEOSA-N 549.671 2.376 0 40 KEAB Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2cccnc2)ccc1-n1cnnn1 100337227 ATULLTNQPBOHQG-AMGIVPHBSA-N 552.599 2.180 0 40 KEAB CN1CCc2cc(C(=O)N3C[C@H](NC(=O)c4ccc(Cl)s4)C[C@H]3C(=O)N3CCOCC3)ccc2C1 141407868 RXKSQYDHTQSCKO-UXHICEINSA-N 517.051 2.261 0 40 KEAB COC(=O)C1=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 150426668 NFHIYWBQQDBMPJ-PKVQIGPHSA-N 650.731 2.453 0 40 KEAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1 224304327 SBUDCZHTJRRWTC-FQEVSTJZSA-N 523.677 2.438 0 40 KEAB COc1cccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1 224336056 XGYMFVVFLCBURU-UHFFFAOYSA-N 539.676 2.221 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2cccc3ccccc23)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 257346732 QMXHRZRGBPKKEW-FCUGFLGKSA-N 532.571 2.209 0 40 KEAB COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 260719665 LLUPYKJXNFIQIU-GBXCKJPGSA-N 517.648 2.169 0 40 KEAB O=S1(=O)CC[C@@H](N(CCNS(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1 575424435 LFMPVTDMKIEZHV-MRXNPFEDSA-N 527.473 2.150 0 40 KEAB CC(=O)O[C@H](C[C@@H](C)[C@@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](O)C(C)(C)O 2332243329 HMBXWIISEWSWQK-NRJDQGQHSA-N 678.860 2.409 0 40 KEAB CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 6821421 ZDQWBWOFDJWWJQ-GDXZIDHASA-N 522.602 2.058 0 40 KEAB CCCC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 9764211 KKLYRJWXCSPLBW-DEOSSOPVSA-N 501.605 2.004 0 40 KEAB COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1 12474083 LMRPFUXQWDNASC-WIYYLYMNSA-N 525.587 2.222 0 40 KEAB CCCCCOc1ccc(C(=O)OCC(=O)N(CCOC)c2c(N)n(CCCC)c(=O)[nH]c2=O)cc1 12569515 DMYOGKKSTIBGCT-UHFFFAOYSA-N 504.584 2.324 0 40 KEAB COc1ccc(C(c2c(O)nc3n(c2=O)CCCS3)c2c(O)nc3n(c2=O)CCCS3)c(OC)c1 13775473 ISYFCPNBXCWPRV-UHFFFAOYSA-N 516.601 2.400 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 59418620 ZAKDWFBMOSKBMC-YOURIZNBSA-N 506.536 2.452 0 40 KEAB Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCN(c2ccc(F)cc2)CC1 79188371 WCTVGFCNAISTOI-RTWAWAEBSA-N 519.621 2.333 0 40 KEAB biogenic COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)NC(=O)[C@H]1COc2ccccc2O1 103047338 LPCDINCVEKQSNU-XMMPIXPASA-N 552.561 2.086 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 222841068 FMWVMJXYRJLCAV-HNNXBMFYSA-N 512.426 2.387 0 40 KEAB COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 223115270 PSFIMTPXDJMIPC-QFIPXVFZSA-N 510.056 2.324 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCC(=O)O)C(=O)[C@@H]54)[C@H]23)ccc1O 245238660 YAIVYBNOQIIQME-BCYSMPNTSA-N 502.570 2.099 0 40 KEAB CS(=O)(=O)N1CCN(C2CCOCC2)C[C@H](C(=O)N2CCC3(CCCCc4ccccc4OCCCNC3=O)CC2)C1 643559873 GHFPHUZPSVELFW-SANMLTNESA-N 604.814 2.279 0 40 KEAB NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CN(C(=O)c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 4277910 XNWWNIGYLLJUIM-BJKOFHAPSA-N 544.649 2.282 0 40 KEAB biogenic,in-vitro CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O 12620958 ALQQKUXLMBIIOO-UHFFFAOYSA-N 501.005 2.190 0 40 KEAB COC(=O)C[C@](O)(CCC(C)(C)O)C(=O)O[C@H]1C(OC)=C[C@@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4 15267534 HAVJATCHLFRDHY-KBJUPQRZSA-N 531.602 2.191 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 103093680 ONQBLFRWJCVRTJ-GOSISDBHSA-N 577.656 2.235 0 40 KEAB CC(=O)[C@@H](C(=O)CCSC[C@H](N)C(=O)O)[C@@H](SC[C@H](N)C(=O)O)c1ccc(Cl)c(Cl)c1 104234103 FYDJWCHKJAVRTB-OTRWWLKZSA-N 511.449 2.489 0 40 KEAB O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2[nH]ncc2c1 150437565 NULNEKWPAMYFBN-UHFFFAOYSA-N 639.712 2.092 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224023503 HQKTWCNVSUVVIG-QGZVFWFLSA-N 507.609 2.032 0 40 KEAB CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O 504624544 DCNCLUWIZKDKJI-AZKGINQHSA-N 599.062 2.279 0 40 KEAB biogenic CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CCC(=O)NCC(=O)N1 643570772 KYJFBGORSUDSQX-LOSJGSFVSA-N 582.673 2.218 0 40 KEAB Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643579184 STHHSIYGDJHVAS-RRPNLBNLSA-N 572.662 2.257 0 40 KEAB O=C1N[C@@H]2CCN(CC(=O)N3CCN(c4ccccn4)CC3)C[C@@H]2CC=CCC2(CCOCC2)C(=O)N[C@H]1Cc1ccccc1 1615122696 ADKXTXRVROHNHA-JBOQNHBVSA-N 614.791 2.411 0 40 KEAB CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O 4091725 KRYSUQDOIQABRV-NSOVKSMOSA-N 631.730 2.147 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)O 70699073 KRKPXFNVOIIJMC-ZMVGRULKSA-N 522.602 2.230 0 40 KEAB biogenic COc1ccccc1N1CCN(Cc2c(O)c(=O)cc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)n2C)CC1 85876817 BUPPOPPRPDCLIK-YADHBBJMSA-N 531.657 2.203 0 40 KEAB biogenic CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)s1 97993275 MBJNXRPJVOKDDU-UHFFFAOYSA-N 537.645 2.175 0 40 KEAB COC(=O)c1ccc2c(=O)n(CCCCCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 102740506 WGDFZOIOILCAMG-UHFFFAOYSA-N 536.585 2.110 0 40 KEAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C(=O)NCc2cccnc2)c2ccccc2)cc1 223538828 FALMLJPTRUOHGU-RUZDIDTESA-N 510.616 2.368 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 225002432 ABEJSKMHVRKZEX-GOSISDBHSA-N 508.616 2.391 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(C(=O)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]34C(=O)O)C2(C)C)[C@H](O)[C@@H](O)[C@H]1O 253501124 ZCBRYYRPNSHPER-IQBIJRMYSA-N 794.976 2.409 0 40 KEAB biogenic,in-vitro CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCO)c1ccccc1)Cc1ccccc1 260725477 WUMTUCYQIKYPQP-SANMLTNESA-N 527.618 2.466 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1OC 409055535 ZEMDISKCTMOMLH-UHFFFAOYSA-N 531.631 2.178 0 40 KEAB CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O1 1615526449 OSDSZHQNFBBDRR-QBQCUPHPSA-N 623.836 2.342 0 40 KEAB biogenic COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 1299013 ONOGAWZGBVJMPQ-VLOXRPPESA-N 508.552 2.351 0 40 KEAB CCn1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(=O)c2ccc(C)nc21 2640735 NUSVALXOGYSBFE-UHFFFAOYSA-N 533.006 2.068 0 40 KEAB CCOC(=O)/C=c1\s/c(=C\c2ccc(OC)cc2OC)c(=O)n1CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 16044284 WZUFIDFJMAVUPY-JNFFTQMKSA-N 502.633 2.040 0 40 KEAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 19941596 LOKGKOMYDRFEHM-GBXCKJPGSA-N 517.590 2.451 0 40 KEAB O=C(NC[C@H]1CCCO1)[C@H](c1ccco1)N(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 100341399 NFPIMTLVORSVDH-BCHFMIIMSA-N 581.603 2.218 0 40 KEAB O=C1[C@H]2[C@@H](C(=O)N1C[C@H]1CCCO1)[C@H](Cc1ccc(O)cc1)N[C@@]21C(=O)Nc2ccc(Br)cc21 101386854 CDWHTEMYCKNZLL-IJEZHKBASA-N 526.387 2.297 0 40 KEAB CSc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1 224331482 FADDZEUADUREEG-UHFFFAOYSA-N 527.690 2.154 0 40 KEAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1Cl 260886111 DWWZZVPZHYNIDE-MRXNPFEDSA-N 518.057 2.248 0 40 KEAB O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1nccs1)CC2 1548888960 DHWVTIGYXKAQAA-YADHBBJMSA-N 569.709 2.263 0 40 KEAB CCOC(=O)C[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCC 5030816 VHOLNZGLSZSAPU-VXKWHMMOSA-N 528.558 2.416 0 40 KEAB O=c1nc2n(c(O)c1[C@@H](c1ccc(Br)cc1)c1c(O)nc3n(c1=O)CCS3)CCS2 8837590 NZPYQGKTXWDDFW-NSHDSACASA-N 507.391 2.365 0 40 KEAB CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 33000538 RNTHSDBHBBCADW-LJQANCHMSA-N 520.627 2.395 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 44900264 BGNCLVNPWLJJFN-UHFFFAOYSA-N 517.589 2.323 0 40 KEAB NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(Cl)cc1Cl 103099439 WMPDBKSLYGVDDW-UHFFFAOYSA-N 586.859 2.111 0 40 KEAB O=C(COC(=O)CCNC1=NS(=O)(=O)c2ccccc21)/N=c1/sccn1Cc1ccccc1Cl 103120794 GOAVSYHLLIFBHZ-YYDJUVGSSA-N 519.004 2.351 0 40 KEAB CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 103125073 YNZVMKYVRNYFQO-GOSISDBHSA-N 608.768 2.389 0 40 KEAB O=C(COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1)N1CCOCC1 409207392 UAJBFBHJARXOFP-HKOYGPOVSA-N 550.637 2.309 0 40 KEAB Cc1cc(NC(=O)CN2CCC3(CC=CC[C@@H]4COCC[C@@H]4NC(=O)[C@@H](CC(C)C)NC3=O)CC2)nn1C 1615125847 JICFJUCYJSFZCO-XPWALMASSA-N 528.698 2.151 0 40 KEAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 2652513 KOYYOGWZTRDRGU-UHFFFAOYSA-N 504.374 2.238 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1 3363352 LSZAHCLYEVZUAH-UHFFFAOYSA-N 520.460 2.400 0 40 KEAB C[C@H](C(=O)NCCCCCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 4551997 UFFKXJPWXQBZPZ-QZTJIDSGSA-N 518.570 2.149 0 40 KEAB CC(=O)O[C@@H](COC(=O)c1ccccc1)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(=O)c1ccccc1)OC(C)=O 5249521 WGARRJKOSNNSQG-POYMRFPPSA-N 558.536 2.427 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 8647922 NNWAGEQDNUVUNB-RKFAPSRVSA-N 558.536 2.280 0 40 KEAB CCc1nnc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)s1 9329129 KTFDGKZTFFJYMJ-UHFFFAOYSA-N 502.018 2.014 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20083584 MMJWFYRRPBJNDB-AREMUKBSSA-N 531.617 2.414 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Br)c3C3CC3)[C@H]2SC1 97948567 CPXOKHOGWXQWHX-LXZCPCIYSA-N 581.367 2.405 0 40 KEAB CCOC(=O)CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc(OC)cc1)[C@H](CC)C(=O)NCc1ccc(F)cc1 100331198 KHMCTZOGJWABRL-IMISRGLISA-N 549.621 2.008 0 40 KEAB CS(=O)(=O)N(CCCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)c(F)c1 223340699 WGAIEQYLWCTUQF-UHFFFAOYSA-N 501.577 2.044 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 223432405 BJEQJGJYXQRRFL-FQEVSTJZSA-N 507.609 2.032 0 40 KEAB CS(=O)(=O)N(CCCC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)OCCO2 224582253 BRBBYLCVYGGWON-UHFFFAOYSA-N 503.621 2.153 0 40 KEAB C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)C3(C)C)[C@@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 253390274 CLQAMCIMWDLXGK-VXCYDEEGSA-N 911.092 2.465 0 40 KEAB biogenic,in-vitro O=S1(=O)C[C@@H](N(CCNS(=O)(=O)c2ccc3ccccc3c2)S(=O)(=O)c2ccc3ccccc3c2)[C@@H](O)C1 575420239 BBHQMJSQCLBCSA-FTJBHMTQSA-N 574.702 2.120 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3cccc(F)c3)CC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 585282036 GDHAOWVRCZZRTH-HHHXNRCGSA-N 537.579 2.036 0 40 KEAB CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCCNC1=O 643565227 DWOBBJXAQVZKJG-PKTZIBPZSA-N 559.063 2.453 0 40 KEAB COC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@H]2CCCO2)cc1 1222155 BRVYNAXMLTUFCB-LJQANCHMSA-N 514.556 2.456 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1cc(OC)ccc1OC)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1 6546928 QWCLSKVTINXPFD-QFIPXVFZSA-N 555.613 2.217 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)Cc2ccccc2)cc1OC 59837532 WLQKGWCMDPTTDQ-UHFFFAOYSA-N 561.682 2.461 0 40 KEAB CC(C)c1nc(C(C)C)c(CO[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]2O)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O 97973404 AKMUKCNIVAOAKJ-SWFHNSINSA-N 621.655 2.143 0 40 KEAB CC(C)CN(C(=O)CSc1nnc(-c2ccccc2F)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 97982459 NYLZEXVTCAHLRL-UHFFFAOYSA-N 538.609 2.060 0 40 KEAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl 100096417 WBGCGPHMWUOEMF-HNNXBMFYSA-N 532.040 2.163 0 40 KEAB CCOC(=O)c1[nH]c(COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)c(C(=O)OCC)c1C 101470932 GVWRBODKSJXZGL-BFUOFWGJSA-N 530.983 2.101 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 102965732 RNTZZLCNXJPCLR-IXYVTWBDSA-N 616.572 2.051 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2ccc(F)cc2)cc1 224217795 WKUNJGSPJKPOAX-UHFFFAOYSA-N 565.645 2.475 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 224249564 JVAOSZJJQGXHLX-UHFFFAOYSA-N 518.057 2.332 0 40 KEAB Cc1ccc(C)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1 224365593 YPKOCVIMUAWMQB-UHFFFAOYSA-N 523.677 2.439 0 40 KEAB CO[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2OC 256507562 MGJMLMORVVDLIU-WPACCNBMSA-N 572.651 2.390 0 40 KEAB biogenic CC[C@@]1(NC(=O)[C@@H]2C[C@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O 1569992307 DFWHWFLWRXBPGX-HEYNHLACSA-N 597.716 2.471 0 40 KEAB CCOC(=O)C1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)CC1 67337477 KKHIXSCURAWBHL-UHFFFAOYSA-N 531.679 2.446 0 40 KEAB COc1ccc([C@H]2OC[C@H]3O[C@H](OCc4ccccc4)[C@H](NC(C)=O)[C@@H](O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@H]3O2)cc1 94303165 FXPRHDJHAMNBSH-CNSCDYTNSA-N 759.758 2.024 0 40 KEAB in-vitro CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 224289756 VGHHSIKFWIQGKO-UHFFFAOYSA-N 549.593 2.451 0 40 KEAB C[C@]1(O)COC2(CCN(C(=O)c3cccc(OCCCN)c3)CC2)C[C@@H]1n1c(O)nc(=O)c2ccccc21 257337828 YUOORDKPQUYKEI-HOFKKMOUSA-N 522.602 2.217 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1CC 6860607 AJVYYZXMFAYRNQ-NRFANRHFSA-N 525.587 2.160 0 40 KEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(S(C)(=O)=O)ccc4n3C)cc2)C[C@H](C)O1 9444878 VNSFOMHSWBLRQL-FJKVCDNZSA-N 523.658 2.182 0 40 KEAB CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCc2ccccc21)c1c(N)n(CCCC)c(=O)[nH]c1=O 13128270 XZYUZTMOYYSNKC-UHFFFAOYSA-N 527.622 2.355 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@@H]1[C@H](C[C@@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@]1(O)[C@H]2OC 100094021 NWBWCXBPKTTZNQ-KYKLCIFBSA-N 584.710 2.222 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 103692761 NWOGROLFEFUITG-OBBCHVIHSA-N 576.526 2.419 0 40 KEAB CCc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1 224332297 GQSFXFUPQOIGGN-IBGZPJMESA-N 523.677 2.383 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225026684 VKXIPPBWFMGNBD-KRWDZBQOSA-N 505.593 2.133 0 40 KEAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCC1 225561600 SLAGEJZRECTBRD-UHFFFAOYSA-N 523.633 2.143 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4)s3)CC2)cc1 225873913 ZGUXKYMOAHRRFY-UHFFFAOYSA-N 542.064 2.447 0 40 KEAB COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1OC 408652722 GZQGTBXEDCITQS-LJQANCHMSA-N 541.557 2.192 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409386302 DUDWAFINDXVIIX-ZHHPLPSFSA-N 531.590 2.078 0 40 KEAB O=C(N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3ccc4c(c3)OCO4)CO[C@H]12)c1ccc(C(F)(F)F)cc1 4259749 BPWCOOYYTVZNHF-ILRDRHFLSA-N 505.409 2.350 0 40 KEAB biogenic,in-vitro COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c(OC)c1 6924537 NUGZJKSVIPSGIK-JTSKRJEESA-N 555.613 2.230 0 40 KEAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2SCC(=O)N2CCCC2)c1 12529103 VTJYVLXRVUGMLF-UHFFFAOYSA-N 505.618 2.447 0 40 KEAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1S(=O)(=O)N1CCOCC1 140061202 GGEWJMOAOUSZDA-UHFFFAOYSA-N 551.687 2.205 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 408906675 DAOJAQBSYPYTJX-JRXNCPAPSA-N 551.621 2.070 0 40 KEAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(C)cc2)CC(=O)N[C@H](CC(C)C)C1=O 643578894 IWGINCNTWVBPFW-LOSJGSFVSA-N 552.672 2.451 0 40 KEAB Cn1c(=O)c2c(nc(N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)n2CC(=O)c2ccccc2)n(C)c1=O 9272750 SVWMGGPNCILVLW-UHFFFAOYSA-N 516.646 2.407 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(=O)[nH]c1=O 12881870 SJGZGVWAKSOZQH-NRFANRHFSA-N 507.591 2.460 0 40 KEAB CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 15940812 LBPHNJIRKHYFBA-HDICACEKSA-N 535.667 2.020 0 40 KEAB COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22930893 XELYNOZQXBFBRI-UHFFFAOYSA-N 510.547 2.457 0 40 KEAB CCn1c(COc2ccccc2Cl)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O 70712241 CBDVADVIHJPHMA-LBRNTXKHSA-N 599.062 2.279 0 40 KEAB biogenic COc1cccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c3nc4n(c(=O)c32)[C@@H]2CS(=O)(=O)C[C@H]2S4)c1 98007426 HTAQZBISPUILAT-YLJYHZDGSA-N 556.622 2.460 0 40 KEAB COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)C[C@@H]2C(=O)c3ccccc3S2(=O)=O)c1 100455884 LPZPQBUXWMSZRN-WAGRKQADSA-N 570.664 2.468 0 40 KEAB COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)cc1 100626406 GWXKSZGNWIFDJC-MUAVYFROSA-N 597.636 2.494 0 40 KEAB COc1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1 224207576 LEILIEANTKNFQC-UHFFFAOYSA-N 529.612 2.040 0 40 KEAB CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c(Cl)c2Cl)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 253476097 ZFDNZWACMUUPOO-KDVGAUMMSA-N 566.368 2.196 0 40 KEAB CN(C(=O)c1ccc(OCCN2CCCC2=O)cc1)[C@@H]1CCCC[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O 257255474 KHPVPHUFVHDEIV-TXTKFYIRSA-N 507.595 2.027 0 40 KEAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCO)c1ccccc1)Cc1ccccc1 260725271 UBUVMLLKYAFKTL-SANMLTNESA-N 509.628 2.327 0 40 KEAB O=C1NC[C@H]2O[C@H](CCOc3cc(-c4ccccc4)ccc3C(=O)N3CCN(C4CCNCC4)C[C@@H]13)CC[C@@H]2O 514287364 INYIFDUDEOCCQQ-KEQINOFFSA-N 548.684 2.039 0 40 KEAB CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643564341 DIERCEZGCSCMPW-KDSXSNECSA-N 526.609 2.101 0 40 KEAB COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)c1 643565958 SIWLYSKKHCYNJF-XTJBDQBJSA-N 552.672 2.361 0 40 KEAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 14129282 JGBJXRRBVOHQJK-HSZRJFAPSA-N 522.530 2.478 0 40 KEAB CCOC(=O)CN(C(=O)c1ccc(CN2CCOCC2)o1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 19825944 BBAUGLUGKINMIR-PXDATVDWSA-N 531.581 2.293 0 40 KEAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59838364 GRTCWUAGWSVJNH-VWLOTQADSA-N 587.720 2.231 0 40 KEAB CN1CCCN(CCNC(=O)c2ccccc2)CCN(CCNC(=O)c2ccccc2)CCCN(C)CC1 68606260 PNSIGBLPTONLQJ-UHFFFAOYSA-N 522.738 2.108 0 40 KEAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]45)[C@H]23)cc1OC 100864314 SQEAXPYQNGORDS-CIYYCHBZSA-N 516.597 2.402 0 40 KEAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 103000644 PSGMPSGWOGFUTN-UHFFFAOYSA-N 548.687 2.113 0 40 KEAB CCCOc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1 224317906 XBHRQPIVFOIFCH-UHFFFAOYSA-N 539.676 2.221 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 225486143 HTCHJKWABJPOCP-MRXNPFEDSA-N 511.442 2.225 0 40 KEAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\[C@@H]4C(=O)NC(=S)N(c5ccc(Cl)cc5)C4=O)c(=O)n32)cc1OCC 408938067 ROVPMUDBVQLXFA-XYDWAESLSA-N 641.127 2.485 0 40 KEAB Cn1ccnc1CN1CCC2(CCOc3cc(-c4ccc(F)cc4F)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548890343 OKYYAALACIBFGS-QPPBQGQZSA-N 601.676 2.423 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 9694770 YXBWYBRUJAWRQC-UHFFFAOYSA-N 510.638 2.365 0 40 KEAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 22271656 GTTJOWWWWMATEG-QFIPXVFZSA-N 503.602 2.261 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccccc4Cl)C3=O)CC2)c(C)c1 32859546 QGZOUAOYPCCWEE-DEOSSOPVSA-N 519.023 2.257 0 40 KEAB Cc1cnn([C@H](C)[C@@H](C)N(CCNS(=O)(=O)c2ccccc2)CCNS(=O)(=O)c2ccccc2)c1 69706172 HACGYWPEHPNBHC-FGZHOGPDSA-N 519.693 2.400 0 40 KEAB COc1ccc2c(C)c(CC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2c1 70705540 QOZRBVYWVSZNMC-NVQXNPDNSA-N 586.041 2.375 0 40 KEAB biogenic Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(=O)c1 102848810 NTDJHNRMDTUXGC-UHFFFAOYSA-N 613.718 2.362 0 40 KEAB COCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 222743896 MFGGCKRZCDZRSD-VWLOTQADSA-N 539.610 2.101 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4C(=O)OC(C)(C)C)NC3=O)O2)cn1 514287519 ICOSSUIIYIUOJZ-AKNSVXHUSA-N 569.659 2.002 0 40 KEAB CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCCC3)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643565767 NCHAOCIXWXGQII-LITSAYRRSA-N 577.726 2.469 0 40 KEAB CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccncc2)CCC(=O)NC2(CCCC2)C(=O)N1 643571580 GRTARELJWPWDNF-ZEQRLZLVSA-N 549.672 2.281 0 40 KEAB COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1 13085155 DRXFBTIDFJGLKL-QFIPXVFZSA-N 513.591 2.189 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2cc(C)cc(C)c2)cc1OC 22935150 KUEOWECYHOAHCT-UHFFFAOYSA-N 518.680 2.270 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1OC 226046557 ZGLZFWAQQGYTCS-UHFFFAOYSA-N 565.714 2.248 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC 408979450 COESVYCGLMOKFF-QYAMMSNYSA-N 538.578 2.279 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCOCCN(C(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CCOCC2)C(C)C)cc1 4018368 QDXFDPNGVBPRHC-LOYHVIPDSA-N 680.890 2.313 0 40 KEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl 59837929 KVVVTMUFMSHLKL-UHFFFAOYSA-N 530.068 2.460 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2F)CC1)Nc1ccc(Br)cc1 102100850 SOQQWMXEMIGJTR-OAQYLSRUSA-N 532.414 2.066 0 40 KEAB O=C1CN(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)c2ccccc2N1 103101302 KNNDKSWOZRGHHU-UHFFFAOYSA-N 548.621 2.335 0 40 KEAB CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n21 408970935 AYNQVRLJXMLUMB-QDUHJBTASA-N 509.584 2.227 0 40 KEAB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)N5CCOCC5)cc4)c(=O)n32)cc1 409168896 OFKMNVHVLIGWIX-DBLMTGOPSA-N 591.686 2.433 0 40 KEAB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)n2C)cc1 409358102 JVAAPOWRKXNHSH-UHFFFAOYSA-N 508.604 2.257 0 40 KEAB NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1OC[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 2037879830 SEXUZTSRQWYECJ-VJTSUQJLSA-N 581.069 2.465 0 40 KEAB COCCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC 6905061 GJEFRYSOWNTHSY-FQEVSTJZSA-N 531.566 2.131 0 40 KEAB O=C(CCCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccccc1 9598948 HPLOYCSMYVDPOA-UHFFFAOYSA-N 501.568 2.378 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)o1 19825963 OPCIKYLRJBNDAS-QHCPKHFHSA-N 527.626 2.350 0 40 KEAB CCCOc1ccccc1OCC(=O)N(C)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32971967 JDXHNMLKMPLGLA-UHFFFAOYSA-N 517.627 2.090 0 40 KEAB COc1ccc(CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)cc1OC 33356869 GWCXYTXLDUYJKB-RNWIMVQKSA-N 622.700 2.351 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Cl)c1Cl 59882823 CBWKLRUYOOAQND-UHFFFAOYSA-N 522.432 2.419 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 150349692 KGPGRIRIXKHZJN-PFZTWQQOSA-N 729.816 2.466 0 40 KEAB CCOc1ccccc1N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O 224257931 NIAAEQDMWILTHG-UHFFFAOYSA-N 527.665 2.077 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@@H]54)[C@H]23)ccc1O 248131046 KIZHCISLNFIAEA-DWRVRJLRSA-N 516.597 2.489 0 40 KEAB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc5c(c4)n(C)c(=O)n5C)c(=O)n32)cc1 408863624 TXWLJVYNJKOVGU-MGSPXPDISA-N 532.622 2.386 0 40 KEAB CN1CCC2(CCOc3cc(-c4ccc(F)cc4F)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548891227 YUYMSEDUHOKFRA-NQIIRXRSSA-N 521.586 2.119 0 40 KEAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCc1cc(=O)n2cc(Br)ccc2n1 2635879 CZHXYDDTOFUMTL-UHFFFAOYSA-N 536.404 2.154 0 40 KEAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)cc1 8815730 DUORJYRPZRHCDK-UHFFFAOYSA-N 501.542 2.279 0 40 KEAB COc1cccc(NCc2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2C2CCCCC2)c1 12524918 MEGJEQPNXDIFCL-UHFFFAOYSA-N 513.624 2.359 0 40 KEAB COC(=O)c1sc(NC(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)c(C(=O)OC)c1C 12542903 GOIFTGKQFHWLKV-KRWDZBQOSA-N 515.544 2.340 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC 30867751 OGRQYAKCEWROIG-UHFFFAOYSA-N 511.622 2.427 0 40 KEAB Cc1cc(NC(=O)Cn2c(=O)n(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c3ccccc32)n[nH]1 33356048 YBQWYLMKQSKBIN-UHFFFAOYSA-N 543.628 2.004 0 40 KEAB CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)OC[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@H](C)CC)[C@@H](C)CC 252516957 YJXRPXBRYBCYRH-YSQZYGGUSA-N 764.903 2.414 0 40 KEAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1 20031920 HQKBIASYSVFETH-FQEVSTJZSA-N 521.661 2.197 0 40 KEAB CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 35454655 HUSISCNTLUEZCN-YYWVTUIASA-N 514.656 2.297 0 40 KEAB biogenic,in-vitro COC(=O)C12CCC(CC1)[C@@H]1C(=O)N(CCCCCCN3C(=O)[C@@H]4C5CCC(C(=O)OC)(CC5)[C@@H]4C3=O)C(=O)[C@@H]12 103553120 ADLRANCHRAKKIO-TUSIJJDXSA-N 556.656 2.476 0 40 KEAB O=C1CN(Cc2ccccc2)Cc2cc(CC(=O)N3CCN(CCO)CC3)ccc2OCCCCCN1 643571390 KGZCBEOEPIFJNN-UHFFFAOYSA-N 508.663 2.047 0 40 KEAB COc1ccc(CNC(=O)CN2CCC[C@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)cc1 2037879913 XFONSDJGPUQRMX-GDLZYMKVSA-N 520.630 2.279 0 40 KEAB CCOC(=O)Nc1ccc(S(=O)(=O)N2c3ccc(S(=O)(=O)N4CCOCC4)cc3C[C@@H]2C)cc1 10119382 UBEZMBGQDQYUGK-INIZCTEOSA-N 509.606 2.416 0 40 KEAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 20031319 SPARBYQSQNDRRC-MRXNPFEDSA-N 500.042 2.498 0 40 KEAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C(=O)O)[C@@H](C)O 70699977 QVWRFGLEXKHDDK-QEKMDSSJSA-N 532.597 2.119 0 40 KEAB biogenic CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 110557651 ZFKVWNUPWMEURA-QXQSRQBGSA-N 557.552 2.079 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCCc1ccc(OC)c(OC)c1 223627993 OCZUBOMJUIKMTO-UHFFFAOYSA-N 506.621 2.415 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224569286 XDAHDTXNGPICGR-OAQYLSRUSA-N 521.636 2.422 0 40 KEAB COC(=O)CSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)s1 224606672 DEXDUFGHIMHRMX-INIZCTEOSA-N 506.587 2.398 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)CC2)cc1 225520544 NSURLAVAAYGAEV-NRFANRHFSA-N 505.662 2.237 0 40 KEAB CCn1c(CCCC(=O)N2CCC3(CC2)C[C@H](n2cnc4c(N)nc(N)nc42)[C@@](C)(O)CO3)nc2ccccc21 257238343 HKNITSCJDFPKMT-DCFHFQCYSA-N 547.664 2.457 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)c2cc[nH]n2)CCCCOC[C@@H](O)[C@H]1O 643586575 SCJKTZDUZKKYBE-UBFVSLLYSA-N 534.629 2.097 0 40 KEAB Cc1ccccc1S(=O)(=O)NC(=O)n1ncc2c1N(c1c(C)ccc(S(=O)(=O)N3CCOCC3)c1C)CC2 4043588 OXNKEAIWSVNKCY-UHFFFAOYSA-N 559.670 2.470 0 40 KEAB C[C@H]1CN(C(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 12546618 ZCGOVPVDYILWKH-IXDOHACOSA-N 504.561 2.440 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)NC3(C(=O)O)CCCCC3)CC2)C(C)C)cc1 12863759 NSDDKGLDTYHYSW-NRFANRHFSA-N 507.653 2.440 0 40 KEAB biogenic O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 12909612 YAHBOCXKRNFVKG-UHFFFAOYSA-N 505.394 2.151 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c(C)c1 14358728 XOMMSTZSYIBQLK-UHFFFAOYSA-N 531.675 2.012 0 40 KEAB CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 85867382 CZFHMSJYSYEZBZ-ZONZVBGPSA-N 667.833 2.159 0 40 KEAB biogenic O=C(CSc1nnnn1-c1ccccc1)Nc1cccc(NC(=O)CSc2nnnn2-c2ccccc2)n1 98043288 LIBICHPIYZLEQJ-UHFFFAOYSA-N 545.614 2.495 0 40 KEAB CC(=O)Nc1c(C)c(CNC(=O)CSc2nnc(N)s2)c(C)c(CNC(=O)CSc2nnc(N)s2)c1C 103650194 LTVJKEZZWNJXOR-UHFFFAOYSA-N 581.775 2.255 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 224256973 YIZDACKIAFCNAM-FQEVSTJZSA-N 536.047 2.469 0 40 KEAB CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@H]3C[C@@H](O)[C@]12C 1529054947 VOWJAFYNABYJKY-WOARVLNGSA-N 785.025 2.149 0 40 KEAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(I)cc1 3235688 CNDCGBFKAMWOOJ-UHFFFAOYSA-N 530.340 2.108 0 40 KEAB Cc1c(C(=O)/N=c2\sn(-c3ccc(C(N)=O)cc3)nc2C(=O)N2CCCCC2)nnn1-c1ccc(F)cc1 8770640 YULXCDOXRYZKAC-COOPMVRXSA-N 534.577 2.428 0 40 KEAB COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)cc1 12716102 YEXNWAHYDOSDOY-LAUBAEHRSA-N 527.603 2.413 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 14186401 RGAOZBIXGGBARL-UHFFFAOYSA-N 507.512 2.239 0 40 KEAB CSCC[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCCN1CCOCC1 20573760 YKVGZWKJOPEVEC-ROKPMTFOSA-N 520.721 2.111 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 97998467 VOHYSFSHGWMINE-JGTYQCAFSA-N 536.562 2.267 0 40 KEAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1S(=O)(=O)N1CCOCC1 139672644 PZXLMIWKEFSTCW-JOCHJYFZSA-N 565.714 2.329 0 40 KEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 224787406 MOKZQQVWAHUCMA-UHFFFAOYSA-N 522.576 2.091 0 40 KEAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N([C@H](C)C(=O)O)C(=O)[C@@H]54)[C@@H]23)cc1OC 249701285 YIGVFLRPDVBPHC-HARGHADVSA-N 516.597 2.400 0 40 KEAB O=C([C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1 408920583 JHLILQKVXPFSRZ-AREMUKBSSA-N 572.684 2.238 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(C)cc43)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 409119625 XJKGQFSSKWTYME-AGGMBTAESA-N 503.536 2.158 0 40 KEAB CC(C)[C@@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)CCN2CCCC2=O)CC(=O)N1 643558499 DYGQLTYQAWGMDO-FQEVSTJZSA-N 507.031 2.224 0 40 KEAB O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 2633579 QTSYWGDLPQJRJD-UHFFFAOYSA-N 549.652 2.467 0 40 KEAB COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)NC(C)C 4277844 OERQRPFHJYMJQD-XZOQPEGZSA-N 525.606 2.232 0 40 KEAB biogenic,in-vitro CN(Cc1ccccc1)Cc1cn([C@H]2CO[C@@H]3[C@@H](NS(=O)(=O)c4cccc5cccnc45)CO[C@H]23)nn1 5399491 VCKDCZSNPZEQQC-CNXCYTMISA-N 520.615 2.144 0 40 KEAB biogenic,in-vitro CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C 6546801 DRDRXPOZVCOUHR-OAQYLSRUSA-N 525.587 2.209 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(=O)[nH]c1=O 15323883 FMVOKNOAVSYXDM-UHFFFAOYSA-N 519.668 2.317 0 40 KEAB COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(C(C)C)cc2)CC1 20803086 PYRDSEZUJXEQMS-DEOSSOPVSA-N 507.635 2.296 0 40 KEAB COCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222936971 NJIVJTSRCTWIJZ-FQEVSTJZSA-N 505.637 2.027 0 40 KEAB COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)CC1=O 408658841 RPFKLJBJFIQHMT-SFHVURJKSA-N 541.557 2.192 0 40 KEAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(I)c2)C1=O 409048641 TZJWCSSYXIMQKG-NTUHNPAUSA-N 505.286 2.442 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 409152309 JPADAGPDWHTHDR-HTCWZNLXSA-N 577.659 2.045 0 40 KEAB COc1cc(CN2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCN1CCOCC1 585272054 IRLDWDDYNBWOMY-LJAQVGFWSA-N 510.679 2.165 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 631724 AIPIFVGMKVEDEF-HVUZKSCUSA-N 539.610 2.245 0 40 KEAB COc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCCC4)cc1 3325333 PMYMIWXMLXPHPQ-UHFFFAOYSA-N 539.639 2.289 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 12530854 XQXLFJQVKSPBAQ-UHFFFAOYSA-N 519.601 2.340 0 40 KEAB CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1 20489085 MQMQZNARDIYHHQ-INIZCTEOSA-N 519.605 2.469 0 40 KEAB CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c12 70691573 XAKSFGPHKQCSPF-ZIEGJXHLSA-N 541.645 2.207 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOCCOCCN(C(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CCOCCOCC2)C(C)C)cc1 163998666 WWMZPLDSGYIBEI-HEVIKAOCSA-N 768.996 2.347 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 226063106 WANSEDIYVXNFNS-UHFFFAOYSA-N 508.449 2.158 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@]1(O)[C@@H]2OC 253618196 NWBWCXBPKTTZNQ-DWIZNEFCSA-N 584.710 2.222 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 408700054 AJVQFZKVAPJXJS-UHFFFAOYSA-N 514.025 2.398 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OC)c(OC)c1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6546944 LENBMXDZCXKZLU-NRFANRHFSA-N 559.576 2.048 0 40 KEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1 20674982 KHFDURLZQBPPSJ-VXKWHMMOSA-N 514.554 2.380 0 40 KEAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 38152210 QIDJGQRXUUOYIM-UHFFFAOYSA-N 537.038 2.444 0 40 KEAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222518743 NLGUOFZBJOIPGM-JOCHJYFZSA-N 509.559 2.356 0 40 KEAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222699899 KNEQQBWURCFTTE-NRFANRHFSA-N 517.648 2.276 0 40 KEAB COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)N5CCOCC5)cc4)c(=O)n32)c1 409153493 DDYVJMJXHOOZCX-SFKHYTNKSA-N 621.712 2.442 0 40 KEAB COc1cc(CCC(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)on1 585287110 SXVVOMDQYRDAJC-AREMUKBSSA-N 535.041 2.418 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 1098562 VZNJYPJBSSYETB-VMOHIOPYSA-N 539.013 2.261 0 40 KEAB C[C@H]1/C=C/C=C/C=C/C=C/C=C/[C@@H](O)[C@H](C(=O)O)[C@H](O)C[C@H](O)CCC[C@H](O)C[C@H](O)C[C@H](O)[C@@H](C)C(=O)O[C@@H]1C 85647411 ALFUZUYJAXAEKE-XZPMJXFYSA-N 580.715 2.192 0 40 KEAB biogenic,in-vitro COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@H](C)C(=O)O)C(=O)[C@H]23)cc(OC)c1O 101174969 UQLSDJKSMCWMSD-RFHYNCRZSA-N 532.596 2.106 0 40 KEAB O=C(c1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)N1CCN(c2ncccn2)CC1 103050408 NIZOCOCSCBBNGH-UHFFFAOYSA-N 555.060 2.239 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 103096109 AMDKMJXCPYEHJL-HDICACEKSA-N 533.603 2.028 0 40 KEAB CC[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(OC)cc1)C(=O)C[S@@](=O)CC(=O)Nc1ccc(OC)cc1 195788142 NBTPOBRBJACTDU-MAWLGISFSA-N 559.685 2.494 0 40 KEAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1NC(C)=O 224418196 XIWJRHBJSWTSFI-UHFFFAOYSA-N 511.622 2.186 0 40 KEAB COCCCNC(=O)Cn1cc(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)c2cc(Br)ccc21 409128910 LGBOCVRMKSVBKL-NVMNQCDNSA-N 537.436 2.129 0 40 KEAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC(C)(C)c2ccc(F)cc2)CC(=O)N(C)CC1=O 643570393 CLNUSTIPKYTBSE-QFIPXVFZSA-N 526.609 2.108 0 40 KEAB CC(=O)N[C@H](Cc1cc(I)c(OC(C)=O)c(I)c1)C(C)=O 5395461 WMGGVWRQONJLQR-CYBMUJFWSA-N 515.085 2.457 0 40 KEAB CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C)c1ccc(F)cc1 6546373 VRWBALIHJCHWSG-UHFFFAOYSA-N 577.660 2.331 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 6546908 LKKHPXYRPXMMBH-QFIPXVFZSA-N 550.597 2.382 0 40 KEAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2)C[C@@H](C)O1 17527647 WVKQFLWNDASKSL-IAGOWNOFSA-N 531.616 2.328 0 40 KEAB COc1ccc(N2C(=O)C[C@@H](NCCCCCCN[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)C2=O)cc1 20248955 AEHDHARNOIPPCZ-DNQXCXABSA-N 522.602 2.407 0 40 KEAB Cc1ccccc1N1CCN(C(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)CC1 72329754 QTHPYDSRNIODDN-UHFFFAOYSA-N 502.531 2.449 0 40 KEAB Cn1c(=O)c2c(nc(N3CCN(C(=O)c4ccco4)CC3)n2CCSc2nc3ccccc3s2)n(C)c1=O 96019849 TYTQSLDDEKGUFG-UHFFFAOYSA-N 551.654 2.391 0 40 KEAB COc1cccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c3nc4n(c(=O)c32)[C@H]2CS(=O)(=O)C[C@@H]2S4)c1 98007423 HTAQZBISPUILAT-PXNSSMCTSA-N 556.622 2.460 0 40 KEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)CNC(=O)c1ccccc1I 103132036 XQIMDZJBPPZDAN-AWEZNQCLSA-N 573.409 2.150 0 40 KEAB C[C@@H](C(=O)NCCCO)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 222888001 YSEHYXQSXZUXKT-SFHVURJKSA-N 505.612 2.115 0 40 KEAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 224079895 WLQXOZTUQXUYPD-LJQANCHMSA-N 503.621 2.210 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 225655990 UJEDDLGREYKFQV-SFHVURJKSA-N 521.636 2.420 0 40 KEAB CCN1C[C@@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC)[C@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC 253494425 XLTANAWLDBYGFU-NBSBQLBSSA-N 682.811 2.035 0 40 KEAB O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CS(=O)(=O)C[C@@H]1N2S(=O)(=O)c1ccc(Cl)c(Cl)c1 575424780 MUUMPLKOQUBAAC-LWYYNNOASA-N 684.450 2.327 0 40 KEAB Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CN(C(=O)CCc3ccnn3C)CCO2)ccc1Cl 585285470 KRJFZNGMYVFVGF-VWLOTQADSA-N 505.015 2.240 0 40 KEAB O=c1c(C(c2ccc(Br)cc2)c2c(O)nc3n(c2=O)CCS3)c(O)nc2n1CCS2 13765347 FVJUWVLINFGROX-UHFFFAOYSA-N 507.391 2.365 0 40 KEAB COC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(C)C 70664588 FRTQTNIVGUIILF-ZEYPLWLESA-N 622.716 2.371 0 40 KEAB biogenic COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc(OC)c1OC 96021886 KJQDPTHEALVKIQ-QGZVFWFLSA-N 531.587 2.092 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225426225 LFFPALRMPVNFQT-AWEZNQCLSA-N 547.390 2.360 0 40 KEAB CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 409003958 MSAFCUFKHZNUEA-UHFFFAOYSA-N 505.593 2.195 0 40 KEAB CC(C)(C)c1cc(Br)cc([C](CC(=O)O)NC(=O)CNC(=O)c2cc(O)cc(NC3=NC[C@@H](O)CN3)c2)c1 1560406067 IWSIQSAEIAQGJY-UHFFFAOYSA-N 589.467 2.085 0 40 KEAB COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N3)cc1OC 1860161 BFVULHUEMWTOGA-QFIPXVFZSA-N 588.948 2.138 0 40 KEAB Cc1noc(Cn2c(=O)c3cc4c(cc3n(CC(=O)Nc3ccccc3Br)c2=O)OCO4)n1 8593918 QZWIZTACGIQTFJ-UHFFFAOYSA-N 514.292 2.033 0 40 KEAB CCCCOCCOCCOCCOCCOC[C@H](O)COCCOCCOCCOCCCC 16639116 BRRJWFQCONDZRA-RUZDIDTESA-N 512.681 2.097 0 40 KEAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59851904 PMKMBTGDBYJPSC-UHFFFAOYSA-N 571.677 2.154 0 40 KEAB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C 70673393 ABINSSSHOUBAOH-PWOUWJHCSA-N 598.741 2.272 0 40 KEAB biogenic CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70699487 DQYHJNRIHHTMIO-VJBWXMMDSA-N 520.586 2.080 0 40 KEAB biogenic CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C 95548231 RWXIFXNRCLMQCD-OEIPTKIRSA-N 785.025 2.149 0 40 KEAB biogenic,in-vitro COC(=O)CCC[C@@H]1[C@H]2SC[C@@](NC(=O)c3ccccc3)(C2=O)[C@@]2(O)[C@@H](NC(=O)c3ccccc3)CS[C@H]12 100861798 KRLFWXIDUTYSLM-RLBHSGRCSA-N 554.690 2.458 0 40 KEAB COC(=O)Cn1/c(=N\C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)sc2cc3c(cc21)OCCO3 100988440 DIBLTYUTQQJNBA-FAFWDCIRSA-N 537.641 2.379 0 40 KEAB CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c(Cl)c2Cl)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 216305637 ZFDNZWACMUUPOO-LOCVUJKISA-N 566.368 2.196 0 40 KEAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](C)C(=O)NCCN2CCOCC2)cc1 222953622 VOZNLIUBGNZHEB-DEOSSOPVSA-N 586.755 2.278 0 40 KEAB O=C1CCCN1c1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 224395218 ZNROAAMSVJJSER-UHFFFAOYSA-N 507.634 2.345 0 40 KEAB O=S1(=O)NC[C@H](O)CN(Cc2ccc(Cl)c(Cl)c2)C[C@]2(COc3ccccc31)C[C@H](O)[C@H](O)C2 253408485 XZPDLVMFTMQUBF-GJPCKUABSA-N 531.458 2.029 0 40 KEAB COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3C)CC2=O)cc1OC 408650031 AFXKDQUDTUSEMM-OAHLLOKOSA-N 534.363 2.450 0 40 KEAB COc1cc(CN2CC[C@@](O)(CN3CCC(NC(C)=O)CC3)C2)ccc1OCCN1CCC(C)CC1 585274684 ZLRMYHSKLKNRRB-MUUNZHRXSA-N 502.700 2.343 0 40 KEAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC2(CC1)CNC(=O)COc1ccccc1C[C@H](O)[C@H](O)C2 643566407 QDCYZUDEGPEHAL-VQTJNVASSA-N 521.536 2.494 0 40 KEAB O=C1C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)N1 643580687 LYGRVYIARGWGSI-AFEGWXKPSA-N 726.875 2.227 0 40 KEAB COc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc(I)cc2)CN=3)cc1OC 2262710 QQVNECWHZZEWIV-ZDLGFXPLSA-N 507.353 2.415 0 40 KEAB CC(=O)Oc1cccc(N2C(=O)[C@@H]3C4C=CC([C@H]3C2=O)[C@H]2C(=O)N(c3cccc(OC(C)=O)c3)C(=O)[C@H]42)c1 6074032 VEKHGKTVBZNYIP-JWDUHDAQSA-N 514.490 2.264 0 40 KEAB Cc1cc(NC(=O)Cn2c(=O)n(CCCCC(=O)NCCc3ccccc3)c(=O)c3ccccc32)[nH]n1 9599434 HOOQYAURCMGVLE-UHFFFAOYSA-N 502.575 2.363 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 20031563 IYFIZEZQGLTTGJ-XMMPIXPASA-N 515.657 2.451 0 40 KEAB CCOC(=O)/C=c1/s/c(=C\c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c(=O)n1CC(=O)Nc1ccccc1C 97982248 FEBSAZQWRDXGFG-OYBBPFTNSA-N 637.736 2.310 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223995073 KDCJZWKJANHGEN-GOSISDBHSA-N 519.620 2.176 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 224443327 XROYHDQVGOOWPL-UHFFFAOYSA-N 600.037 2.341 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 226077481 UDRGNDLFYLXZIR-QGZVFWFLSA-N 500.042 2.144 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409032019 ILVOUGVXUTVZNL-LWQASVJZSA-N 706.799 2.381 0 40 KEAB COc1cccc(C(=O)O[C@H](C(=O)NCc2ccccn2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1 409383139 RWSKWMSLUIBUOD-FCHUYYIVSA-N 508.483 2.251 0 40 KEAB CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OCC)ccc2[nH]c1=O 928109 BWLJWCBTSIXIHJ-UHFFFAOYSA-N 520.546 2.408 0 40 KEAB COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(CC(=O)Nc3ccccc3)c2=O)cc1OC 2690276 QOMOFEPPKIZRGZ-UHFFFAOYSA-N 522.583 2.240 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](n2nc(N3C(=O)c4ccccc4C3=O)c3ccccc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4293733 UWMUWOPRCFCWED-FYBXHKAZSA-N 521.482 2.161 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1cccs1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N 6547164 ITHZCYLNYYAZTK-SFHVURJKSA-N 519.580 2.088 0 40 KEAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)[C@H](NC(=O)CNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(C)C)C(=O)O 70705067 ZQYUWJHNOYVTKM-VKTKXJHJSA-N 626.707 2.386 0 40 KEAB biogenic Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 100306909 GSUYZMXYJHMULY-UHFFFAOYSA-N 531.616 2.005 0 40 KEAB CO[C@@H]1[C@H](O)[C@H](O[C@@H]2C[C@@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]45O)[C@@]3(C)[C@H](O)C2)O[C@@H](C)[C@H]1O 118925486 DKYDBQQIQAPGMH-MYIQSOCUSA-N 550.689 2.081 0 40 KEAB COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)NC(C)C 226045690 DIPXTFXCRSKCKH-UHFFFAOYSA-N 509.650 2.139 0 40 KEAB CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253500657 HUSISCNTLUEZCN-NALRZOOWSA-N 514.656 2.297 0 40 KEAB biogenic,in-vitro Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n1C 409364150 VLNHAISQOGQGGS-UHFFFAOYSA-N 508.604 2.257 0 40 KEAB CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@H]3C[C@@H](O)[C@@]12C 2060999643 VOWJAFYNABYJKY-ORTIROFNSA-N 785.025 2.149 0 40 KEAB COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 2554958 SISGBWZDEMMSLV-LKZRYDKBSA-N 534.359 2.042 0 40 KEAB CCN(CC)CCCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6193064 BJIBHWVGVKXTPO-UHFFFAOYSA-N 517.696 2.388 0 40 KEAB COCCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC 6904947 GJEFRYSOWNTHSY-HXUWFJFHSA-N 531.566 2.131 0 40 KEAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 24745450 AWDQJRXAXFSCCH-UHFFFAOYSA-N 522.949 2.134 0 40 KEAB Cc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(Cl)c5)c4n3)CC2)ccc1-n1cnnn1 100445723 NJBOTLIRLKMWRB-UHFFFAOYSA-N 567.035 2.481 0 40 KEAB Cc1ccccc1Nc1nc(N)nc(COC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 103070310 CMFPISHGJWJMQV-UHFFFAOYSA-N 540.602 2.421 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(=O)O)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 217367323 ZUKVGFWPSCEHIY-WPTZHNLUSA-N 670.576 2.391 0 40 KEAB COc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1S(=O)(=O)N1CCOCC1 222919402 CFNJCRGAOIJTTD-RUZDIDTESA-N 551.621 2.440 0 40 KEAB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CC(=O)O)C(=O)[C@@H]54)[C@@H]23)ccc1O 256041276 HUJWUIISPQBVIH-OETNFHODSA-N 502.570 2.099 0 40 KEAB CCCc1nc2ccccc2n1CC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c(N)ncnc31)CO2 257204131 ATDLXKFMVKTJBS-FQRUVTKNSA-N 518.622 2.485 0 40 KEAB O=C1NC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)Nc1ccc(F)cc1F)CC2 1548890331 OIEPOAIYJQNJQI-XLIONFOSSA-N 550.584 2.054 0 40 KEAB COc1ccc(CCNC(=O)CN2CCC[C@@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)cc1 2037879757 OKLJUCHVNCLRKC-PMERELPUSA-N 534.657 2.321 0 40 KEAB CC(=O)N1CC[C@H]2CC[C@@H](CN(C(=O)CN3CCN(C)CC3)Cc3ccccc31)N2Cc1cccnc1 2037942961 RZPRULQOFGSKGG-SXOMAYOGSA-N 504.679 2.447 0 40 KEAB Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2cc1C 19940842 ZCKPGLCLCSMFIA-HYBUGGRVSA-N 517.590 2.451 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](CC(C)C)C(=O)NC(C)(C)C)n2)o1 19941051 IOTITKCRIDBOPZ-FQEVSTJZSA-N 503.648 2.122 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222820636 SVERTMDYTRVQAD-SFHVURJKSA-N 519.620 2.176 0 40 KEAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223177943 YRWJKFXBMBCXEI-LJQANCHMSA-N 510.012 2.431 0 40 KEAB C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224456520 GHBZBQMJQDOTLS-INIZCTEOSA-N 580.512 2.364 0 40 KEAB CCCC[C@@H](C(=O)N1CCN(C(=O)[C@@H](CCCC)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 245238356 LMDFRCCDJMVENG-BUFMBHMDSA-N 604.748 2.389 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1cccs1 408981524 ICMIXLTUCOHTPJ-DGKKPVBHSA-N 514.581 2.332 0 40 KEAB COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)N5CCOCC5)cc4)c(=O)n32)c1 409153487 DDYVJMJXHOOZCX-CWJUKMOQSA-N 621.712 2.442 0 40 KEAB COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)N5CCOCC5)cc4)c(=O)n32)c1 409164501 JKCAAWHJLCTQAJ-KYRGTEIWSA-N 591.686 2.433 0 40 KEAB COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CNCCn2ccnc2C)c1 643583407 CCUJXIAVHAAEPR-QAXKFHDJSA-N 631.815 2.028 0 40 KEAB CCCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCC(=O)N[C@@H](CCC(N)=O)C(=O)NCCCCCCCCCCC(=O)N1 643584528 CRNSCZDXBCCXCB-HJOGWXRNSA-N 565.756 2.060 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)/C=C/c2cnc[nH]2)CCCCOC[C@@H](O)[C@H]1O 643586597 VTZOHUINWCGZKY-CQNGGKGESA-N 560.667 2.497 0 40 KEAB COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)cc1 8690345 NFFQMUTVGMTGIX-KCWPFWIISA-N 578.647 2.300 0 40 KEAB COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1 11614308 STCIMPRHAGYAII-NLZIUFDSSA-N 524.595 2.451 0 40 KEAB CCOc1ccc2nc(SCC(=O)N(CCOC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)[nH]c2c1 12506132 NOTXQFOLWWBIGD-UHFFFAOYSA-N 524.603 2.214 0 40 KEAB CCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 59498114 VRDZOSNNGJZLLU-UHFFFAOYSA-N 503.397 2.361 0 40 KEAB O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCCN1CCN(CCCN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)CC1 102682031 QJTUCZXIWMBYSY-COPRSSIGSA-N 537.488 2.420 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H](OC(C)=O)CN2S(=O)(=O)c2ccc(OC)cc2)cc1 102874971 BPEUKGVCGZNXKF-NZQKXSOJSA-N 553.659 2.059 0 40 KEAB CCOC(=O)CC[C@H](NC(=O)CCCCCCC(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC 216759858 KGURLBRIRXSQRB-BGYRXZFFSA-N 544.642 2.109 0 40 KEAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)Oc3ccccc32)cc1 224246673 BDPQHDAHGBPHEG-VWLOTQADSA-N 575.665 2.097 0 40 KEAB Cc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1 224365351 HGYSUSNCTUMFSH-UHFFFAOYSA-N 509.650 2.131 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 224489865 BDMVCQUCFXBNMM-NRFANRHFSA-N 505.612 2.254 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N([C@H](C)C(=O)O)C(=O)[C@@H]54)[C@@H]23)cc(OC)c1O 245225854 UQLSDJKSMCWMSD-RSHLPXRTSA-N 532.596 2.106 0 40 KEAB CC(C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCNC1=O 643568487 UIGXRAYPWDNCBM-ODTVBPJYSA-N 731.822 2.261 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1)OCO3 6444911 KQHCHJIFKGTQLS-NBGIEHNGSA-N 533.564 2.473 0 40 KEAB O=C(NCSC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O)c1ccccc1 70700779 ISFMJAGAQOJOMI-GOTSBHOMSA-N 546.605 2.164 0 40 KEAB biogenic COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCC1 140056129 CIMYIRASZCAACZ-UHFFFAOYSA-N 537.660 2.284 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223177891 YRWJKFXBMBCXEI-IBGZPJMESA-N 510.012 2.431 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(C(F)(F)F)ccc1Cl 224444152 MOAILXIBPUFJQZ-UHFFFAOYSA-N 600.037 2.341 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 226026767 XRAAORXEGQISEY-UHFFFAOYSA-N 519.620 2.420 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4C4Cc5ccccc5C4)NC3=O)O2)cn1 514287602 PVEQKQWOAGDAKK-UQROFJETSA-N 585.705 2.234 0 40 KEAB CN(C)c1nccc([C@H]2CN(C(=O)CN3CCC4(CCCCc5ccccc5OCCNC4=O)CC3)CCO2)n1 643559036 ZPCCMFCCLWEOTK-AREMUKBSSA-N 550.704 2.446 0 40 KEAB C[C@@H](OC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2654930 YDTWZFQCDURPHW-CQSZACIVSA-N 558.594 2.373 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)cc1 6074887 KCZIBWPYUJWLJW-VWLOTQADSA-N 553.639 2.305 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1OC 8445326 XAGCJEMXPIBHOH-FIWMFUAISA-N 509.584 2.237 0 40 KEAB COc1ccc(OC)c(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 12542361 ARVFMBXRQWEPKF-DPTHPHEISA-N 504.561 2.308 0 40 KEAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F 16035774 IXNZPMDLTSQMBG-SFHVURJKSA-N 501.515 2.195 0 40 KEAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 59851777 OQLCRSJZQTXKNH-UHFFFAOYSA-N 573.693 2.223 0 40 KEAB COc1ccccc1N1C(=O)[C@H](C(c2ccccn2)[C@@H]2C(=O)NC(=S)N(c3ccccc3OC)C2=O)C(=O)NC1=S 104682288 ISZOEMJNYGPGGA-FGZHOGPDSA-N 589.655 2.311 0 40 KEAB Cc1cccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1C 224258176 PWDCKZNOAOQFBB-UHFFFAOYSA-N 511.666 2.295 0 40 KEAB C[C@]1(O)CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1Oc1cccc(Cl)c1 257242809 IEFMMAIUWGZSNJ-UPVQGACJSA-N 524.039 2.204 0 40 KEAB COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c(OC)c1 260774420 XCUUUIHGLXNQGT-LJQANCHMSA-N 505.637 2.454 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCCCC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643565783 JJLZXNDNQVBPIW-SVBPBHIXSA-N 577.726 2.136 0 40 KEAB COCc1nnc(NC(=O)CN2CCC3(CC=CC[C@@H]4COCC[C@@H]4NC(=O)[C@@H](CC(C)C)NC3=O)CC2)s1 2037879800 QOYDEYLDVHAUIP-QHAWAJNXSA-N 562.737 2.107 0 40 KEAB COC(=O)c1cccc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4cccc(N(C)C)c4)CO[C@H]23)c1 4147740 KDGOVCJCKJFQPK-UWHLTILDSA-N 525.591 2.012 0 40 KEAB biogenic,in-vitro CCN(C(=O)N(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 98009034 MCUMRFZBMYDUAO-UHFFFAOYSA-N 566.702 2.201 0 40 KEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccc(F)cc4)c3n2)C1 100447301 FPSYHTWRYXWXHS-MRXNPFEDSA-N 526.550 2.469 0 40 KEAB CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1cc2sc(=O)oc2c(Cl)c1Cl 103600412 ZFDNZWACMUUPOO-MVDPKGKRSA-N 566.368 2.196 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccc(Cl)cc1 226060651 ULVHUIQIGARURE-UHFFFAOYSA-N 514.069 2.245 0 40 KEAB COc1cc(CN2C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)OCCCCCCOc3cccc2c3)cc2c1OCCCO2 2037972603 GCQGQPSECSTZRR-NFFAYCCRSA-N 547.645 2.276 0 40 KEAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)cc1 20032568 DKEXPACXBZDJAH-UHFFFAOYSA-N 519.601 2.229 0 40 KEAB CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 20416214 XEUOUBRLUQXNRG-UHFFFAOYSA-N 519.584 2.304 0 40 KEAB CC(C)C[C@@H](NC(=O)C1(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CCCCC1)C(=O)NCC(N)=O 70664683 SDEOENPTQLLONB-CLJLJLNGSA-N 593.725 2.476 0 40 KEAB biogenic Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N3)cc1 100868975 CYBSFFGDRKWIDR-LJQANCHMSA-N 514.869 2.176 0 40 KEAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 100886449 NRFDFJPCUYREJO-GASCZTMLSA-N 502.818 2.318 0 40 KEAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1 100919805 QOVGWWVMKZJFNB-UHFFFAOYSA-N 547.615 2.157 0 40 KEAB O=C(COC(=O)COC(=O)c1ccccc1OC(=O)CCCCCO[N+](=O)[O-])OCCOC(=O)COC(=O)COC(=O)c1ccccc1OC(=O)CCCCCO[N+](=O)[O-] 200332155 PLGJBTJLJOULKN-UHFFFAOYSA-N 852.708 2.221 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](O[C@@H]2CC[C@]34C[C@]35C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@H](O)C[C@@]3(C)[C@H]5CC[C@H]4C2(C)C)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O 253500677 IRXIEUDBDWXTTL-RANCZLLZSA-N 825.002 2.034 0 40 KEAB biogenic,in-vitro CC(=O)OC[C@@H](O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@@]4(O)C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@@H]3CC[C@]12C 253595912 KULCHMMNCMFNLY-NRJQCQHBSA-N 510.624 2.274 0 40 KEAB OCCOCCN1CCN(CCOCCN2CCN(C3=Nc4ccccc4Sc4ccccc43)CC2)CC1 504441860 PESRGEMGJWNEAU-UHFFFAOYSA-N 539.746 2.490 0 40 KEAB C[C@@H](NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1)c1ccc(S(N)(=O)=O)cc1 38140458 FPFRNHJWBOUVPR-QRWLVFNGSA-N 529.644 2.247 0 40 KEAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]45)[C@H]23)ccc1O 100872281 YAIVYBNOQIIQME-JRMPAOMDSA-N 502.570 2.099 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 224329452 BFFDRSSFXQFWSF-QFIPXVFZSA-N 542.079 2.473 0 40 KEAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1ccccc1F 224464683 VDKZEVKCDMONEO-UHFFFAOYSA-N 620.725 2.468 0 40 KEAB Cc1cc(=O)c2c(O)c(OS(=O)(=O)O)c(O[C@H]3O[C@@H](CO)[C@H](OC(=O)/C=C/c4ccc(O)cc4)[C@@H](OC(=O)/C=C/c4ccc(O)cc4)[C@@H]3O)cc2o1 253529814 UPZMVRPHQPHKKL-ZFHMDDTBSA-N 742.664 2.107 0 40 KEAB biogenic,in-vitro COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 409390803 WRFLNTYKSHYTEY-UHFFFAOYSA-N 503.602 2.481 0 40 KEAB COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 5260436 SISGBWZDEMMSLV-PIIZRUITSA-N 534.359 2.042 0 40 KEAB COc1cc([C@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)c2snc(C(N)=O)c2N)cc(OC)c1OC 6906369 DKWSHZUPJSWIAS-IIBYNOLFSA-N 561.661 2.271 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC(C(=O)O)CC1 38139993 POVQJQHUPJJVAW-DKLXNKCPSA-N 534.613 2.328 0 40 KEAB biogenic Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 38757158 XOFAOZMZMNEQIT-UHFFFAOYSA-N 503.606 2.462 0 40 KEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC1)C2=O 66136321 HCHNAPRWUHYVPI-QKFKETGDSA-N 530.569 2.074 0 40 KEAB O=C(OC[C@@H]1[C@H](COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1(Cl)Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 97983160 BKMZEHIFLMRIJH-PSWAGMNNSA-N 677.581 2.162 0 40 KEAB COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1OC 408652721 GZQGTBXEDCITQS-IBGZPJMESA-N 541.557 2.192 0 40 KEAB CN1CCN(C(=O)CN2CCCCCCOc3ccccc3N(CC(=O)N3CCN(C)CC3)c3cncc(c3)C2=O)CC1 643584735 ITXNGWKHJDNXGF-UHFFFAOYSA-N 591.757 2.163 0 40 KEAB CC(C)=CCC[C@@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@H]3CC[C@@]12C 1529051588 SWIROVJVGRGSPO-LCGKVDSXSA-N 785.025 2.149 0 40 KEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1 883616 QIBBGKHSLLNBHY-IBGZPJMESA-N 525.635 2.379 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)cc1 6074482 KCZIBWPYUJWLJW-RUZDIDTESA-N 553.639 2.305 0 40 KEAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)C[S@](=O)C3)cc1 6184169 KQAJTUBXYFFNSW-MGBGTMOVSA-N 500.602 2.216 0 40 KEAB COC(=O)[C@@H](C)N[P@@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(Br)cc1 26844597 VPABMVYNSQRPBD-KZBKBXAESA-N 544.295 2.416 0 40 KEAB Cc1cc(=O)n2c3c(cc(S(=O)(=O)N4CCCN(S(=O)(=O)c5cc6c7c(c5)c(C)cc(=O)n7CC6)CC4)cc13)CC2 98009023 PXNYSIGOZZLWPV-UHFFFAOYSA-N 594.715 2.131 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225466339 NZHPOSPHTADHCA-CQSZACIVSA-N 508.394 2.147 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 225824376 HBJDEBXQMJYRQX-UHFFFAOYSA-N 501.652 2.363 0 40 KEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCc1nc(CS(=O)(=O)c2ccccc2)no1 604419286 JWWDCSMXFWUYDU-FKRCVWNDSA-N 510.572 2.202 0 40 KEAB CCCN(C(=O)COC(=O)c1cnc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14128604 HKSBHGDDCSGCPW-UHFFFAOYSA-N 506.346 2.469 0 40 KEAB COc1ccc([C@@H](c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCN(c3ncccn3)CC2)cc1 20150855 OPXVSVACHFKTRB-QHCPKHFHSA-N 520.619 2.123 0 40 KEAB COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 59607353 DOFZJHJXQYCSBM-QFIPXVFZSA-N 563.577 2.200 0 40 KEAB COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2cc(OC)c(OC)cc21 60266428 IWXKIIVEBAASNB-DAAKBVJHSA-N 563.654 2.432 0 40 KEAB COc1cc(NS(=O)(=O)c2ccc(N3CC4=C(C3=O)[C@H](c3ccccc3)NC(=O)N4C)cc2)nc(OC)n1 100245234 BKBGFRQXIVWVTG-QFIPXVFZSA-N 536.570 2.292 0 40 KEAB CCOC(=O)c1c(NC(=O)COC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)sc(C(C)=O)c1C 103115446 DLYPJXFTKHIERP-RUZDIDTESA-N 527.555 2.311 0 40 KEAB CC(C)N1CN([C@H](C(=O)N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)O)c2ccc(O)cc2)CSC1=S 104298022 HLOVLXOMEHUUPK-YIOZNXECSA-N 524.690 2.024 0 40 KEAB O=S1(=O)C[C@@H](N(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](O)C1 575423553 GJYKNROENDEQCD-MSOLQXFVSA-N 612.362 2.427 0 40 KEAB CC(C)[C@H]1NC(=O)C2(CCCC2)NC(=O)C[C@@H](C(=O)NCCc2ccccc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643573527 XORCWXANMXGACO-NAYZPBBASA-N 605.736 2.001 0 40 KEAB CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 15224148 KEBPXARRKTWISM-UHFFFAOYSA-N 504.561 2.169 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 19818666 XSDHLVHQBPJFCM-JOCHJYFZSA-N 517.552 2.179 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1 59838549 JZQCGGQYRPJVFW-KRWDZBQOSA-N 544.493 2.417 0 40 KEAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1 103048670 WLGBDDMDQGSTSW-UHFFFAOYSA-N 566.702 2.014 0 40 KEAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 103093723 UOQGWWSWRQHKGA-GOSISDBHSA-N 554.600 2.248 0 40 KEAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)Oc3ccc(C)cc32)cc1 224246754 QAAQCCFFLGKFRB-SANMLTNESA-N 589.692 2.405 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224538809 XFSFHUBRHRLRFZ-HXUWFJFHSA-N 505.593 2.133 0 40 KEAB COc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Cl)c1O 409107496 WGYMLJZJWLNJKM-UHFFFAOYSA-N 512.997 2.179 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 409160259 WOFVHFVEKVHDRG-QEYQTOMISA-N 577.659 2.045 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCc3nccn3C)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 585272245 HEZSNNDAUZPPQP-NDEPHWFRSA-N 508.619 2.408 0 40 KEAB O=C1N[C@H](C(=O)NCCc2ccccc2)CC(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc21 643576472 KOCRWLVTIODSBY-OIFRRMEBSA-N 639.753 2.151 0 40 KEAB COc1ccc(CCNC(=O)CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC 11758316 QGPQVDHJZNSZSM-UHFFFAOYSA-N 527.628 2.224 0 40 KEAB O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 12981925 CDTPHSLIGYTBHG-UHFFFAOYSA-N 506.378 2.249 0 40 KEAB CCOC(=O)c1sccc1NC(=O)Cn1c(=O)ncc2cc(S(=O)(=O)N3CCCCC3)ccc21 71772472 FVNQMYKVGMGSGC-UHFFFAOYSA-N 504.590 2.448 0 40 KEAB COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)C3=O)ccc2c1 103139726 SFVOCCVONAMTAV-HHHXNRCGSA-N 552.609 2.275 0 40 KEAB Cc1ccnc(NS(=O)(=O)c2ccc(-n3c(-c4ccccc4)cn4c5c(=O)n(C)c(=O)n(C)c5nc34)cc2)n1 103782574 PNHYHHQUUZEPOG-UHFFFAOYSA-N 542.581 2.242 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 210736754 JRXXZLNZGSRENH-JPFXZVHCSA-N 508.552 2.270 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 225480131 DJJWMABWVSDCRO-HNNXBMFYSA-N 542.452 2.396 0 40 KEAB O=C(CN1C(=O)N/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O)Nc1ccccc1 409372222 YIOGLLURICXICJ-UYRXBGFRSA-N 543.374 2.218 0 40 KEAB CC(C)C[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(F)cc2)CC(=O)N1C 643571429 MEHHXHZZOHUADG-QBUINJGOSA-N 655.768 2.420 0 40 KEAB O=C1C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCCC2)N1 643576539 PXRMCJMJKIAQSL-KYJUHHDHSA-N 674.843 2.223 0 40 KEAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCCS(=O)(=O)N3CCCCC3)ccc21 643583513 FPFMSGIJAAACJI-UHFFFAOYSA-N 508.685 2.265 0 40 KEAB COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2nc3ccccc3s2)CC1 6239222 XWWKYHCOYARDSM-QHCPKHFHSA-N 546.613 2.411 0 40 KEAB CCOC(=O)N[C@@](Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)(C(=O)OCC)C(F)(F)F 8445384 AIRYEMADROODMT-SFHVURJKSA-N 521.474 2.266 0 40 KEAB Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1S(=O)(=O)NCCO 9041311 SOLSJQMDEXQCNH-UHFFFAOYSA-N 513.601 2.267 0 40 KEAB COc1ccc([C@H](c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCN(c3ncccn3)CC2)cc1 20150854 OPXVSVACHFKTRB-HSZRJFAPSA-N 520.619 2.123 0 40 KEAB CC(C)CN(C(=O)CN(C)C(=O)COc1ccccc1C(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32971949 JPEFPQHCQJRUJB-UHFFFAOYSA-N 501.628 2.425 0 40 KEAB O=c1n(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c2ccccc2n1CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 150449188 RMAJZQDKCUGABI-UHFFFAOYSA-N 754.888 2.054 0 40 KEAB O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C(=O)Cc2ccccc2)CC3=O)CC1 253407989 WZHTWNJQZJRYBS-YOPPKJQDSA-N 558.679 2.362 0 40 KEAB COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 260890853 TZVYVDVYYIWJCR-LJQANCHMSA-N 539.676 2.220 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409197950 SMRQYGVPCYZXOF-JRXNCPAPSA-N 521.595 2.061 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](O[C@H](C)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 575372273 OWMZHUQIGVVXJE-KIOHHDDVSA-N 959.904 2.003 0 40 KEAB COCCn1cnc2c1c(=O)n(CC(=O)OCCOc1cc(C)ccc1C)c(=O)n2Cc1ccccc1 12539792 HZMWZAKJPMIYTD-UHFFFAOYSA-N 506.559 2.293 0 40 KEAB COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 13085466 WGYYNUWDBLETIV-NRFANRHFSA-N 513.591 2.189 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225551197 QSNJUGKREUCALW-QGZVFWFLSA-N 558.078 2.409 0 40 KEAB CC(C)C[C@@H]1OC(=O)[C@@H]2CCCN2C(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)N(C)C1=O 253388172 RPJBXUNEXVNBIF-DHJLZBDISA-N 655.837 2.149 0 40 KEAB biogenic,in-vitro O=S1(=O)CC[C@H](N(CCNS(=O)(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)C1 575422163 MXOHPIZHLRROCW-INIZCTEOSA-N 616.375 2.368 0 40 KEAB O=C(NC[C@@H]1CCCO1)[C@@H](c1ccco1)N(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 100341395 NFPIMTLVORSVDH-AFMDSPMNSA-N 581.603 2.218 0 40 KEAB COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)c1 100627006 IFZCJXZATINISS-KCWPFWIISA-N 578.647 2.300 0 40 KEAB CS(=O)(=O)N(CCCC(=O)NCc1ccccc1CN1CCOCC1)c1ccc2c(c1)OCCO2 223687135 YJCVCTPMUKYCLX-UHFFFAOYSA-N 503.621 2.153 0 40 KEAB COc1ccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCCCC1 225852739 MLKAAKFFCCHNNO-UHFFFAOYSA-N 511.622 2.283 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 245380432 ZDQWBWOFDJWWJQ-IVDSKFSHSA-N 522.602 2.058 0 40 KEAB COc1ccc(C)cc1S(=O)(=O)N1CCN(CC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)c3ccccc3F)C[C@H]2CC(C)C)CC1 643586664 LRZVGNMMQHAJBN-PYAPEYTQSA-N 750.931 2.382 0 40 KEAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 15980257 HIVJMOXQTKVCBX-QFIPXVFZSA-N 509.588 2.444 0 40 KEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)c(=O)[nH]c1=O 24746400 WBLCVPVNAMDHOB-QGZVFWFLSA-N 515.611 2.368 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N 38144979 GYSZYIBYDQNLEG-VGSWGCGISA-N 555.588 2.418 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C2CCCCC2)cc1OC 59837576 WNKNCSRXQNJLOM-UHFFFAOYSA-N 595.740 2.365 0 40 KEAB COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCCO)cc1 223225696 KQSKTEGDYIXYJO-MHZLTWQESA-N 553.681 2.205 0 40 KEAB CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c(Cl)c2Cl)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253476099 ZFDNZWACMUUPOO-LFQUONNGSA-N 566.368 2.196 0 40 KEAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)N1CCOCC1 409198539 HRBDMWWJJRPXSL-JJFYIABZSA-N 555.565 2.337 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409388663 NBPNBTXOPUORSX-SBXHHDGASA-N 561.616 2.087 0 40 KEAB COC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1I 409398702 FYNNYPGWNDLWFN-ZSOIEALJSA-N 540.266 2.316 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccc(C)cc3)CC2)C[C@](O)(COc2cccc(F)c2F)C1 585287795 SAUOGZZORDWHET-MUUNZHRXSA-N 533.616 2.205 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCC2CC2)CC(=O)N[C@H](CC(C)C)C(=O)N1C 643584560 QJETWPFPSPNBGU-ACIOBRDBSA-N 514.667 2.498 0 40 KEAB COc1ncccc1CN1CCC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548890450 PPQPBZYJBBWNFY-RPBOFIJWSA-N 593.706 2.210 0 40 KEAB O=C(NCCc1ccccc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 716849 NCSSTGAWLJFYRJ-XMMPIXPASA-N 513.641 2.109 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N 6546966 VZHDOPCDLJGVLI-FQEVSTJZSA-N 513.551 2.026 0 40 KEAB CCOC(=O)C1=CC2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3C1[C@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 8397541 CCYKAFXFMLGKTR-AVIWZCBMSA-N 530.533 2.364 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 13148567 NFSOFSUSFFRTAA-UHFFFAOYSA-N 505.637 2.075 0 40 KEAB CCOC(=O)[C@H]1C(c2ccc(OC)cc2)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F 13408075 VHFJTWKDAGBIQF-MPHVTYKXSA-N 503.392 2.242 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 103096119 AMDKMJXCPYEHJL-QZTJIDSGSA-N 533.603 2.028 0 40 KEAB C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)O 253387435 MLKQAGPAYHTNQQ-PNWIQWIWSA-N 650.850 2.434 0 40 KEAB biogenic,in-vitro C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2[C@]1(C)O 253532219 LARPFJIXBULVPK-ZQFANHAHSA-N 650.850 2.435 0 40 KEAB biogenic,in-vitro CC(C)(C)OC(=O)NCCCC(=O)N(Cc1ccccc1)C[C@@H]1C[C@H](O)[C@H](O)[C@H]1n1cnc2c(N)ncnc21 257334873 YHTCCKCZWKODFY-ZZTDLJEGSA-N 539.637 2.025 0 40 KEAB C[C@@H]1CN(C2CCN(S(=O)(=O)N3CCOCC3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl 618256492 JECSEHRJFNTWDD-OAHLLOKOSA-N 511.998 2.306 0 40 KEAB COCC(=O)N1CCN(CCCc2ccc(C)o2)CCCCOC[C@H](O)[C@H](O)[C@@H](OC)[C@@H]1CC(C)C 643586928 LBRFMJRBIQTCHG-DROSFRCNSA-N 512.688 2.260 0 40 KEAB NC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCc2ccc4c(c2)OCO4)cc1)OCO3 2975662 QYOMDPORJKPLNU-UHFFFAOYSA-N 546.561 2.410 0 40 KEAB CCn1cc(C(=O)NCCC(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c2cc3c(cc21)OCO3 9411103 BPJLHJVUSAJPKR-UHFFFAOYSA-N 506.559 2.227 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 19818665 XSDHLVHQBPJFCM-QFIPXVFZSA-N 517.552 2.179 0 40 KEAB COc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1S(=O)(=O)N1CCCCC1 20046780 QTTMQLRJPFKUIL-HXUWFJFHSA-N 509.606 2.036 0 40 KEAB CCOC(=O)/C=c1\s/c(=C/c2ccc(OC)cc2OC)c(=O)n1CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 33481640 WZUFIDFJMAVUPY-RXCVLPSXSA-N 502.633 2.040 0 40 KEAB COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1OC 35396818 CMWMYSAPHVBTJR-UHFFFAOYSA-N 514.556 2.360 0 40 KEAB CCCCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O 97967869 RQLXBVXUMWRARU-ASBZNUFUSA-N 550.616 2.203 0 40 KEAB COc1cc(OC)c(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(OC)c(OC)c4)C(=O)[C@H]32)cc1Cl 101390250 APNNFEGALBKCDV-UXHICEINSA-N 503.899 2.306 0 40 KEAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222854164 MKYIXNCZVGMMCH-FQEVSTJZSA-N 535.638 2.415 0 40 KEAB O=C(NCCN1CCOCC1)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223296510 CGJVVUGFSBOMMR-YTTGMZPUSA-N 636.771 2.305 0 40 KEAB Cc1cc(C)cc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1 224257611 SIFJIYQWFJQAGA-UHFFFAOYSA-N 511.666 2.295 0 40 KEAB C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O 224409468 VZYOUAYWOBJHLH-SFHVURJKSA-N 527.640 2.350 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 408557266 GDNIJQIPJIHAES-FQEVSTJZSA-N 531.631 2.178 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1OC 680801 XAGCJEMXPIBHOH-WNPPMXKSSA-N 509.584 2.237 0 40 KEAB COc1cc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4cccc(N5CCOCC5)c4)CO[C@H]23)cc(OC)c1 4147797 LGSSAKJBQZPZEL-CJRSTVEYSA-N 569.644 2.013 0 40 KEAB biogenic,in-vitro C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O 15940409 DSOOFAAUPDEFCY-AREMUKBSSA-N 524.574 2.279 0 40 KEAB O=C1NC(=O)[C@](Cc2ccc(O)cc2)(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N1Cc1ccccc1 70672236 JPFCFKZUOCRZKN-HFZPWKHCSA-N 526.593 2.481 0 40 KEAB biogenic CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 94303164 SFCZXSUFIPUMPQ-VFAUTJGJSA-N 729.732 2.015 0 40 KEAB C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 100162573 FVTZFOPRUPQXSV-LUODTHDFSA-N 524.577 2.038 0 40 KEAB CCOc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(I)cc1)CN=3)C(=O)N2 101027399 QSGPNMMHESVAQD-ZCXUNETKSA-N 532.363 2.119 0 40 KEAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222861468 CGRRJNWXOCHKKN-CVDCTZTESA-N 505.612 2.300 0 40 KEAB O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2ccc(NC(=O)NC[C@@H]3CCS(=O)(=O)C3)cc2)cc1 575420342 AZLBIESLAISZIQ-ROUUACIJSA-N 534.660 2.466 0 40 KEAB Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCCn3cccn3)CCO2)ccc1Cl 585283375 DVLMWPCRANCLKR-AREMUKBSSA-N 518.058 2.466 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NC[C@@H]2CCCN(C)C2)CC(=O)N[C@H](CC(C)C)C(=O)N1C 643584444 MSARTKGFNAOYRN-NLJWQWLVSA-N 571.763 2.430 0 40 KEAB COc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1 2321281 BMCDXMSRHKIBOE-UHFFFAOYSA-N 503.562 2.430 0 40 KEAB COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)c1 12715015 HAEWVYMYPYRHLQ-OXQOHEQNSA-N 513.576 2.418 0 40 KEAB CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCCC[C@@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O 12978568 AFHRMNLDFOHPFI-SFHVURJKSA-N 507.632 2.167 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1 14356664 UVXIACNQRLBZEV-MRXNPFEDSA-N 507.663 2.284 0 40 KEAB O=C(C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 20457283 UIFUWXRXAMOVDU-UHFFFAOYSA-N 526.080 2.415 0 40 KEAB CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32666495 ATZTYTBHQSKHGV-UHFFFAOYSA-N 513.554 2.414 0 40 KEAB CCCN(C(=O)COC(=O)COc1c(C)cc(C)cc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 62572052 VYMNWPWZPOHNEI-UHFFFAOYSA-N 508.575 2.458 0 40 KEAB COC(=O)CCC[C@H]1[C@H]2SC[C@@](NC(=O)c3ccccc3)(C2=O)[C@@]2(O)[C@@H](NC(=O)c3ccccc3)CS[C@H]12 100861800 KRLFWXIDUTYSLM-MVVSHJFFSA-N 554.690 2.458 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(Cl)c1 224288180 MYLIPFFGLAUJHR-UHFFFAOYSA-N 516.041 2.086 0 40 KEAB COc1ccc(CCNC(=O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1OC 252495063 OLZHKXMHVKEQFU-UHFFFAOYSA-N 530.625 2.430 0 40 KEAB C[C@]1(O)CC2(CCN(C(=O)c3ccc(OCCN4CCCC4=O)cc3)CC2)OC[C@@H]1n1cc(Br)c(O)nc1=O 257253269 JYEWCZXKUYAKTK-LVXARBLLSA-N 605.486 2.100 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)c(=O)n2[C@H]1c1ccc(C)cc1 408821175 DEDOGUCGUVJSQT-GPVLVGMZSA-N 560.657 2.123 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 409170820 WPBGPQMUPJHKNA-MFISQUFLSA-N 621.712 2.443 0 40 KEAB CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccn2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 643572448 XJZOEJOGYDBQPQ-KCHLEUMXSA-N 601.704 2.285 0 40 KEAB C[C@H](OC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2654929 YDTWZFQCDURPHW-AWEZNQCLSA-N 558.594 2.373 0 40 KEAB CC(C)[C@@H](C(=O)N1CCOCCN(C(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O 4018377 YWZYNRWRRPTFIV-NSOVKSMOSA-N 632.714 2.332 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1cccc(OC)c1OC)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1 6547160 OZDNGSDCDWCGMW-NRFANRHFSA-N 555.613 2.217 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 13145722 GYWHTVLVOLKALT-DEOSSOPVSA-N 500.577 2.058 0 40 KEAB COCCN(C(=O)COC(=O)/C=C/c1ccc(SC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23079619 TXSSLWSWNCVPEQ-JLHYYAGUSA-N 524.599 2.125 0 40 KEAB COc1ccc(N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59837558 DXLLZGXLVIZEAV-UHFFFAOYSA-N 577.681 2.474 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 225020059 HGEMQCRRXVDTFI-SFHVURJKSA-N 521.636 2.422 0 40 KEAB C[C@@H](C(=O)NCc1cccnc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222857007 PCXKQUFPFNRBRR-NRFANRHFSA-N 570.643 2.354 0 40 KEAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223003965 HMLYQGVPTVIOFK-HHHXNRCGSA-N 551.665 2.472 0 40 KEAB Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)N1CCCCC1 224223127 POXSOWOLSZKOHM-UHFFFAOYSA-N 509.650 2.229 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 224350165 HBDZOYNSRZEBPX-UHFFFAOYSA-N 507.634 2.064 0 40 KEAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1N1CCCC1=O 224395382 NNFHFRJGTOUJNB-UHFFFAOYSA-N 537.660 2.354 0 40 KEAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(N)=O 245380167 SKCBOHGILGKGJY-CIAFKFPVSA-N 553.745 2.464 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N/[C@H](C)[C@@H](O)[C@]1(C)O)O2 253387718 BPENQAXMHXRNMD-XBSWCFJDSA-N 730.937 2.405 0 40 KEAB COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(Cc5ccc6c(c5)OCO6)C[C@H]4C(=O)NC[C@H]2O3)nn1 253399054 IBNXVEXGOBJSBJ-LFNVBFKESA-N 618.691 2.167 0 40 KEAB CCCc1nc(C)c2c(=S)nc(-c3cc(S(=O)(=O)N4CCN(CCO)CC4)ccc3OCC)[nH]n12 575346383 GXMTWHWNRQQKJK-UHFFFAOYSA-N 520.681 2.412 0 40 KEAB in-vitro COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3cccn3)c2)C[C@@](O)(COc2ccccc2)C1 585281049 VUFVEIOTWUDNDS-LJAQVGFWSA-N 538.645 2.462 0 40 KEAB O=C(Nc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1)c1ccccc1F 1339623 PYMCHKRTMDXLND-UHFFFAOYSA-N 503.494 2.309 0 40 KEAB COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2c(NS(=O)(=O)c4ccccc4)ccc(=O)n2C3)cc1 5392796 MTSCQDGORROUNG-ZWKOTPCHSA-N 515.613 2.466 0 40 KEAB biogenic,in-vitro CSC[C@@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C 52781199 NJBBLOIWMSYVCQ-JMDODURXSA-N 667.854 2.366 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)c(OC)c1 100274934 QLYZSKSWVJFALG-VFNWGFHPSA-N 543.602 2.426 0 40 KEAB CCCN(CCC)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 103020700 ALHDCHZEUSXEMN-UHFFFAOYSA-N 551.687 2.415 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(NCc3ccccc3)s2)c(N)n(Cc2ccccc2)c1=O 103084947 RQBQWAKTJZOERQ-UHFFFAOYSA-N 552.638 2.252 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 222749526 HNRWDBGCCKFJLX-UHFFFAOYSA-N 509.650 2.033 0 40 KEAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1Cl 224253713 DWWZZVPZHYNIDE-INIZCTEOSA-N 518.057 2.248 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224469751 WTBCBWZKWNGLHE-XMMPIXPASA-N 553.703 2.064 0 40 KEAB CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=C[C@@H]2O[C@H]2C[C@@H](C)OC(=O)C[C@H]1OC(C)=O 253868740 FQVHOULQCKDUCY-QBSGDYLSSA-N 841.989 2.433 0 40 KEAB O=C(CN1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 257216561 CVBRYZJKCDNOPO-BDYUSTAISA-N 529.659 2.486 0 40 KEAB COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3)CC2=O)cc1OC 408653099 HWYOVFKOIVMYNW-HNNXBMFYSA-N 534.363 2.450 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F 6546707 YOUJTRMPVLVTPZ-LJQANCHMSA-N 517.514 2.170 0 40 KEAB O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCN(C(=O)c3ccco3)CC2)n1)c1ccc(F)cc1 13562121 SRWOQFAOVWOSTH-UHFFFAOYSA-N 503.494 2.309 0 40 KEAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 19940746 ANGZKXKIXWDOTK-GBXCKJPGSA-N 517.590 2.396 0 40 KEAB Cc1cc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccc(C(=O)NCCc4ccccc4)cc32)n[nH]1 101432952 RCXRBKAACPUJQQ-UHFFFAOYSA-N 526.553 2.447 0 40 KEAB Cc1c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cnn1C(F)F 102349795 NKKJVYBIEQYEDU-UHFFFAOYSA-N 521.575 2.225 0 40 KEAB CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)nc2c1 102932294 QBONARHZFFYZJQ-UHFFFAOYSA-N 525.630 2.373 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409038157 UVEUGOGBAAHDOT-QDNAUZDWSA-N 552.605 2.454 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccccc1 409153595 DKCNRSOKCNSYML-QAHUDSGCSA-N 547.633 2.036 0 40 KEAB O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)c3cccc(OCCN4CCCC4)c3)CC2)CN1 643565654 FSCQOPCHZQLMID-RRPNLBNLSA-N 551.684 2.247 0 40 KEAB CNC(=O)C12CCCCN(C(=O)c3cc(S(N)(=O)=O)ccc3OC)CCOc3ccccc3C(=O)N(CC1)CC2 643574190 IGOQGLTYVLIIHJ-UHFFFAOYSA-N 572.684 2.016 0 40 KEAB CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)c2C(N)=O)C1 3007080 YSABFGJJUNTTEZ-GJZGRUSLSA-N 506.650 2.275 0 40 KEAB Cc1ccc(Br)cc1C(c1cc(Br)ccc1C)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 4962279 JHNGLZSPOIVTES-LMCOJAPRSA-N 504.215 2.396 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1)OCO3 6444894 KQHCHJIFKGTQLS-NLFFAJNJSA-N 533.564 2.473 0 40 KEAB COC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)n1 14016422 WHSFGFUFDUNXKC-GASCZTMLSA-N 509.606 2.321 0 40 KEAB CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@@H]4N(C)C3)(C(C)C)C(=O)N12 17654092 YDOTUXAWKBPQJW-KFXREKJISA-N 575.710 2.430 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1OC 59838731 MJXKPQHJVBMTCG-FQEVSTJZSA-N 551.687 2.205 0 40 KEAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 224347835 FSDPKIBMLYDSSS-UHFFFAOYSA-N 527.690 2.009 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 224486287 ZGVMNZPYQQELTA-JOCHJYFZSA-N 574.121 2.409 0 40 KEAB CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1 254700568 SCPNQIVSYINRIW-OAQYLSRUSA-N 507.524 2.493 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccc(S(=O)(=O)N4CCCCC4)cn3)CC2)cc1 514386191 GZLAEVWCELFWNC-UHFFFAOYSA-N 568.743 2.280 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCNC1=O 643564761 DNRVQXJUANBTSY-ZEQRLZLVSA-N 522.646 2.354 0 40 KEAB O=C(CN1CCCCC1)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1 643578230 SIIHRAJCARYMON-IZZNHLLZSA-N 515.695 2.422 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(Cc2nccn2C)CCCCOC[C@@H](O)[C@H]1O 643912866 CGPOQEJAVHVBFE-RGSZASNESA-N 534.673 2.467 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@@H]2OC 1088382 NWBWCXBPKTTZNQ-TVRPCXOWSA-N 584.710 2.222 0 40 KEAB CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O 4091732 KRYSUQDOIQABRV-VSGBNLITSA-N 631.730 2.147 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 19961933 ZANZXVHJNVBGOS-QFIPXVFZSA-N 518.445 2.467 0 40 KEAB CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n12 35982207 NXXZUVBMMIOJQO-FVCXHJGLSA-N 510.369 2.360 0 40 KEAB CC1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@@H]4C[C@H](O)[C@H]13 49782051 MDPXIRWVLJUABC-RNILRWFISA-N 652.866 2.261 0 40 KEAB biogenic O=C(CCCCCn1c(=O)c2sccc2n(CC(=O)NC[C@H]2CCCO2)c1=O)NCc1ccc2c(c1)OCO2 101318934 KJGAOWPKHBVNPE-LJQANCHMSA-N 556.641 2.125 0 40 KEAB CC(C)C[C@@H]1NC(=O)[C@H]([C@H](C)c2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O 252463627 JYHXDMQYXCMDPF-FAQIRXSXSA-N 786.975 2.075 0 40 KEAB biogenic,in-vitro COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)O)cc3Br)C2=O)o1 409399060 FODUPGXFZZFTMF-ACAGNQJTSA-N 509.265 2.394 0 40 KEAB CO[C@@H]1CCCN(C(=O)[C@@H](NC(=O)[C@@H](C)N(C)C(=O)Cc2ccccc2OCc2ccccc2)[C@H](C)O)[C@@H]1CCC(=O)N[C@@H](CCCCN)C(=O)O 585293746 LPBIGLVXPWSKKB-UOWAKBNLSA-N 725.884 2.005 0 40 KEAB O=C(CN1CCC[C@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)NCc1ccc(F)cc1 2037879503 ADVYMDIVNYHCCJ-MUUNZHRXSA-N 508.594 2.409 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 8399803 SSVTYXHAQSYDSS-YHHBSCGTSA-N 552.653 2.160 0 40 KEAB C[C@]12C=C[C@@]3(O1)[C@@H](C(=O)NCc1ccccc1)N(C[C@@H]1CCCO1)C(=O)[C@@H]3[C@@H]2C(=O)NC1CCCCC1 12642182 ARXFALKOVCPKLM-GHGMYOQNSA-N 507.631 2.471 0 40 KEAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223446180 QGUHTOIFCOEWRP-OAQYLSRUSA-N 519.620 2.176 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 225675493 ZIFFREDURJQBIZ-SFHVURJKSA-N 519.620 2.174 0 40 KEAB COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)CC1=O 408652224 FXMNYJVKBGKUGG-CQSZACIVSA-N 504.337 2.441 0 40 KEAB COc1ccccc1NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C 883760 WINFFPBTGCZJAB-UHFFFAOYSA-N 503.606 2.242 0 40 KEAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 2111238 CHBDVMRGZGGYEG-JIYROHSKSA-N 575.662 2.457 0 40 KEAB biogenic CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)c2C(N)=O)C1 3007306 ZBBZWLCXMYVKGS-CQSZACIVSA-N 504.634 2.425 0 40 KEAB CC(=O)N[C@@H](Cc1cccn1C)C(=O)NC1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn23)CC1 13564869 JQZOPXDVDVNFSS-VWLOTQADSA-N 514.634 2.194 0 40 KEAB COC(=O)c1cc(-n2ncc(C(N)=O)c2NC(=S)NC(=O)c2ccc3c(c2)OCO3)ccc1Cl 14242205 SYZYMXZFJYWNQG-UHFFFAOYSA-N 501.908 2.267 0 40 KEAB CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 94303156 SFCZXSUFIPUMPQ-AFKVWEBKSA-N 729.732 2.015 0 40 KEAB in-vitro CC(=O)[C@@H](C(=O)CCSC[C@H](N)C(=O)O)[C@H](SC[C@H](N)C(=O)O)c1ccc(Cl)c(Cl)c1 104234094 FYDJWCHKJAVRTB-NXNVCVFFSA-N 511.449 2.489 0 40 KEAB CC[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O 141303462 DFWHWFLWRXBPGX-UHFAATNVSA-N 597.716 2.471 0 40 KEAB in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OCC 210867701 KGVKBGRFXALBLN-IBYCJETLSA-N 565.648 2.460 0 40 KEAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)s1 224838049 JVLYYRRKWAXZDR-UHFFFAOYSA-N 550.688 2.144 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1cccs1 409158401 XJBBIPKSLUQRCZ-DIXABZHVSA-N 583.688 2.106 0 40 KEAB COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NCc2ccccn2)c1 409383145 RWSKWMSLUIBUOD-VXKWHMMOSA-N 508.483 2.251 0 40 KEAB O=C1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccccc2)N1 643566902 ZBGDTYDAOOEOIT-NSOVKSMOSA-N 616.690 2.415 0 40 KEAB CN(C)CCC(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3 1615107332 NCRAKHYHBRUYPD-DSNGMDLFSA-N 510.679 2.146 0 40 KEAB CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 4097456 YMARZQAQMVYCKC-XWGVYQGASA-N 505.637 2.403 0 40 KEAB biogenic,in-vitro COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 5260438 SISGBWZDEMMSLV-YWCCWUOUSA-N 534.359 2.042 0 40 KEAB CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)CC1 20481716 HHPOZMMSGTWKQR-UHFFFAOYSA-N 502.431 2.292 0 40 KEAB CCOC(=O)CN1C(=O)[C@]2(N[C@@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c2ccccc21 100166541 XWLRTNZHBAPKED-FVXYUFHJSA-N 507.612 2.318 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)n4nc(C)c(Cl)c4C)[C@@H]3SC2)s1 102658466 GJSFKTMPTNFHKN-YHYSRRTLSA-N 529.069 2.405 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224163859 GQEJTJPTSSUWOQ-OAQYLSRUSA-N 503.621 2.476 0 40 KEAB COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OC 224203470 VJYRHIJLVPJWSI-UHFFFAOYSA-N 577.681 2.345 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409166577 DEFWPZILGNTCJV-OINPTKSXSA-N 634.755 2.358 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 409170824 WPBGPQMUPJHKNA-RGDUZTMSSA-N 621.712 2.443 0 40 KEAB CN1CCC(C(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)CC1 643578461 CLYCAKWIFXDHOH-IZZNHLLZSA-N 515.695 2.278 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3cccc(C)c3)CC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 2037946985 TXKSFRYSPYBJGQ-MUUNZHRXSA-N 533.616 2.205 0 40 KEAB CCOC(=O)CN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccc(Cl)cc1 6546196 SOXQZWZLVFZKIK-SFHVURJKSA-N 510.016 2.387 0 40 KEAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)CC)ccc1-2)C(=O)O 102415427 YTPYLPAKSOVREP-WJWAULOUSA-N 566.654 2.453 0 40 KEAB O=C(Nc1ccccc1OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 102939658 OIUAJSXEPHPVLH-UHFFFAOYSA-N 615.686 2.200 0 40 KEAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 103527400 CHBDVMRGZGGYEG-HEIROHQZSA-N 575.662 2.457 0 40 KEAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 211741166 OBBRUEHSMUKKMU-BJJGPXNVSA-N 524.551 2.250 0 40 KEAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 223389138 MONGAWPTRITVDW-HXUWFJFHSA-N 507.609 2.032 0 40 KEAB Cc1cc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1N(C)S(C)(=O)=O 224414230 RWHCJFYFCLILDD-UHFFFAOYSA-N 509.650 2.374 0 40 KEAB CN1CCC(CC(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)CC1 643578917 LSXJRKKNXISIBP-IZZNHLLZSA-N 530.710 2.063 0 40 KEAB COC(=O)C1=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 1838919 KWNSCVMYLYVJOF-YVJFHRMNSA-N 590.679 2.436 0 40 KEAB N=C(N[C@H](O)C(Cl)(Cl)Cl)SCNC(=O)NCSC(=N)N[C@H](O)C(Cl)(Cl)Cl 8614509 AJMYBHMDAAJOPS-QWWZWVQMSA-N 531.102 2.093 0 40 KEAB CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 13138255 XUJHYMAWNJWYST-UHFFFAOYSA-N 506.600 2.171 0 40 KEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1 19943772 DBHJTYOIUWPXPN-PKTZIBPZSA-N 510.591 2.236 0 40 KEAB CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)COc2ccc(C)cc2)CC1 33000529 RXXCXPOGBXBIDF-UHFFFAOYSA-N 502.637 2.175 0 40 KEAB COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 100057979 SISGBWZDEMMSLV-KQWJERSKSA-N 534.359 2.042 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224530638 GFBMQMZMTIWPEL-NRFANRHFSA-N 521.636 2.422 0 40 KEAB CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCCC3)cc2)CCC(=O)N(C)CC(=O)N1 643571547 FPROXBHRASTBAC-SVBPBHIXSA-N 577.726 2.469 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)cc2)cc1 2975434 QQQBLYFQPHJCIH-UHFFFAOYSA-N 538.607 2.456 0 40 KEAB COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H]1CN(C(=O)c2cccnc2)CCN1C(=O)NC1CCCCC1 4277846 NWMAFVYSEDJOAT-LOSJGSFVSA-N 551.644 2.159 0 40 KEAB biogenic,in-vitro CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 225051592 QZXUOOCZNUYFSU-LJQANCHMSA-N 505.637 2.456 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 253587957 AGOYDEPGAOXOCK-RHAJTEPPSA-N 747.964 2.440 0 40 KEAB in-vitro CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)/C=C/c2ccc3c(c2)OCO3)CCCCOC[C@@H](O)[C@H]1O 643551434 KIYXVVHUCOJMTD-XTPSBYEUSA-N 534.650 2.068 0 40 KEAB COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN2CCC[C@H](c3cc(CO)[nH]n3)C2)c1 643584572 DOYLQGWDDKDKMK-RTKHTGMWSA-N 687.879 2.328 0 40 KEAB NC(=O)c1cc(NC(=O)COC(=O)c2cc(Br)c(Br)s2)cc(C(N)=O)c1 13146139 QTFSRPMWBBWDOV-UHFFFAOYSA-N 505.144 2.266 0 40 KEAB O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 102914613 QBMHKZLRZKYQGC-HNNXBMFYSA-N 523.970 2.136 0 40 KEAB CCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 102921071 WMTQPJAODJASCQ-UHFFFAOYSA-N 537.690 2.388 0 40 KEAB COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1cccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)c1 103677715 OGRQOXXUZIKSML-UMPHLXDOSA-N 566.394 2.394 0 40 KEAB C1CN1P1(N2CC2)=NP(N2CC2)(N2CC2)=NP(N2CC2)(N2CC2)=NP(N2CC2)(N2CC2)=N1 104338746 BMSHQLXTIBWGSV-UHFFFAOYSA-N 516.412 2.310 0 40 KEAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]2[C@H]2C[C@@H]3[C@@H]3C(=O)N(CC(=O)O)C(=O)[C@@H]23)cc1OC 169678268 ACVICMKIVRMSAI-YFJPQUIISA-N 502.570 2.012 0 40 KEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1ccc2c(c1)OCO2 216002228 KJMYYDDQFXNZMM-UHFFFAOYSA-N 533.588 2.109 0 40 KEAB O=C(NCCN1CCOCC1)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223440738 CZHMZGIJXPGAQK-JGCGQSQUSA-N 654.761 2.444 0 40 KEAB CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n21 408970934 AYNQVRLJXMLUMB-GFCAVMEOSA-N 509.584 2.227 0 40 KEAB COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccnc2)ccc1OC(C)=O 409383162 RXBFIKLVIYAOJP-RPBOFIJWSA-N 610.528 2.424 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3cccc4ccccc34)S(C)(=O)=O)CC2)cc1 13672525 WWQFWENATHRGJR-UHFFFAOYSA-N 501.630 2.447 0 40 KEAB CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 14358476 DHNSHVJOKXAGNI-UHFFFAOYSA-N 507.609 2.092 0 40 KEAB COc1ccc(CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)cc1OC 33356865 GWCXYTXLDUYJKB-MUAVYFROSA-N 622.700 2.351 0 40 KEAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CC1 38140332 DVWSPEXVOFZTQT-ZEQRLZLVSA-N 577.725 2.151 0 40 KEAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 59418616 MPVZGDZWLKNYTI-YOURIZNBSA-N 506.536 2.452 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4cccc5ccccc45)C3=O)CC2)cc1OC 102896108 ZCHLIAUEDFPORC-NDEPHWFRSA-N 566.636 2.157 0 40 KEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)cc2)n1 216289247 ARGZHBJAQHRCKC-UHFFFAOYSA-N 536.611 2.285 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225486363 ZZACAEUBUDGMJC-HNNXBMFYSA-N 540.436 2.150 0 40 KEAB CC(C)CC(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)NC1=O 643580850 VKOPWDBCWJFKED-SYKYGTKKSA-N 665.832 2.246 0 40 KEAB O=C1CN(Cc2cccnc2)Cc2ccccc2OCC=C[C@H]2CN1CC[C@H]2CC(=O)N1CC[C@@H](O)C1 958317715 HIKHHWJIOPAUFL-KYPHJKQUSA-N 504.631 2.480 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)o1 12716822 SVWIVWPCVNQXMN-NPPFBWRTSA-N 514.608 2.347 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)o1 19216777 HYWKROUWFIOIRU-QHCPKHFHSA-N 527.601 2.197 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 59838816 GRJKGFSSFNYZPN-IBGZPJMESA-N 572.105 2.087 0 40 KEAB CCOC(=O)C1=C(Cn2c(Nc3ccc(O)cc3)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@@H]1c1ccc(C)cc1 100239389 OJJDJOBCTKUGLN-JOCHJYFZSA-N 573.610 2.405 0 40 KEAB CCOC(=O)C1=NO[C@@H]2[C@@H]1[C@@H]1C[C@@H]2[C@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]12 100924291 OXPDVIMGYINVSJ-RUMKGSRSSA-N 500.861 2.351 0 40 KEAB CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 103125069 YNZVMKYVRNYFQO-SFHVURJKSA-N 608.768 2.389 0 40 KEAB COc1cc(/C=C\C(=O)N2CCN(C[C@H](O)COc3ccc(C(C)=O)c4c3OCCO4)CC2)cc(OC)c1OC 111389051 SYFDPNLESAYNCB-DPVXCJKMSA-N 556.612 2.284 0 40 KEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224345029 VMPUPWUFVAMNEE-QHCPKHFHSA-N 539.676 2.220 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NCC(C)C)c1 224439919 IPQBVYFCJARQCD-FQEVSTJZSA-N 504.653 2.498 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(CCC(=O)O)C(=O)[C@@H]23)ccc1O 245238661 YAIVYBNOQIIQME-HJQLCBAISA-N 502.570 2.099 0 40 KEAB CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC=C4[C@@H](C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)C4(C)C)[C@]3(C)CC[C@]2(C)[C@@H]1[C@](C)(O)C(=O)CCC(C)(C)O 253501033 VJWYQRXPCZNDKS-GNYSFIKVSA-N 710.902 2.160 0 40 KEAB biogenic,in-vitro COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3)c(OC)c2)C[C@@](O)(COc2ccccc2)C1 585280827 TUSZBRBNXXDAJH-NDEPHWFRSA-N 524.618 2.071 0 40 KEAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1 643558939 WMDIFRHJFUZWTM-DEOSSOPVSA-N 548.750 2.311 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O 643566950 MLQJMRFWSGUAQW-VJTSUQJLSA-N 555.720 2.082 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@]2(C)C[C@H](C)C(=N[C@H](C)[C@@H](O)[C@]1(C)O)O2 1534514532 BPENQAXMHXRNMD-YKROWAGFSA-N 730.937 2.405 0 40 KEAB biogenic CC(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@]2(CCC(=O)OC2)[C@]2(C[C@]3(C)[C@H](C)[C@@H]4C(=O)O[C@@]5(C)O[C@@]3(O[C@@H]45)O2)[C@@H]1C 1772591693 LISOTTMZWIFJFJ-VGAYMCDWSA-N 522.591 2.442 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 627974 BZZUZSIWCPGWLK-VZIOXZNFSA-N 508.552 2.351 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)CCn4nc(C(F)(F)F)cc4C)[C@@H]3SC2)s1 2809730 PSPRBEWXKFTTPP-CJNGLKHVSA-N 548.594 2.291 0 40 KEAB COCCNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC 6904918 RAABOLNKPXBZFO-JOCHJYFZSA-N 552.613 2.473 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)o1 12716793 CYYNJBDXZLPTFX-YYDVJCTNSA-N 512.567 2.187 0 40 KEAB COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(C)c(Cl)c2)CC1 19818722 JAPCKKXFKBKQCY-JOCHJYFZSA-N 514.026 2.135 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223801338 GZMTVBJGAVDMQQ-KRWDZBQOSA-N 507.584 2.306 0 40 KEAB CCCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1)C(N)=O 1529084252 CWEISCOCKRHHOU-FGRXADKOSA-N 904.082 2.388 0 40 KEAB CC(C)CN1CCC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548890368 ORBSWHUYXUERSL-PKTZIBPZSA-N 535.707 2.094 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 13138838 UQYGTSUHRWFADT-UHFFFAOYSA-N 510.638 2.313 0 40 KEAB COc1ccc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1S(=O)(=O)N1CCCCC1 22920313 QVXJRGNMWLCMGK-UHFFFAOYSA-N 530.647 2.355 0 40 KEAB CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCCO4)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 100072546 OPQDOPWWBGEPER-SAEUYMBFSA-N 630.599 2.441 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@@H](OC)C[C@](O)([C@H](C[C@@H]23)[C@@H]14)[C@@]5(O)[C@H]6OC 100392561 NWBWCXBPKTTZNQ-KJZQQCNKSA-N 584.710 2.222 0 40 KEAB biogenic,in-vitro COCCNS(=O)(=O)c1ccc(OCC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)c(Cl)c1 222835003 SVZUOFXWPUWDBZ-UHFFFAOYSA-N 526.040 2.337 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 226076217 TVTDJXILMVQYKN-UHFFFAOYSA-N 507.678 2.416 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(Cc5ccc(F)c(F)c5)CCN4C3=O)O2)cn1 253402013 NWYKXCJDIOEKOF-WDDJKNHOSA-N 595.647 2.499 0 40 KEAB COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)cc2C)CC1=O 408662037 WWDWNNVVCVZSMM-CQSZACIVSA-N 534.363 2.450 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409030503 FYOCEJOAIKKKIS-ZIPXEUHISA-N 611.673 2.178 0 40 KEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 514300104 SVAZHMDDWYWBSL-CVVFNEDCSA-N 654.701 2.011 0 40 KEAB Cc1ccc(S(=O)(=O)NCCN([C@]2(C)CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2C)c(C)c1 575424764 MIEOTODWFKKODS-HSZRJFAPSA-N 528.718 2.467 0 40 KEAB CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCc2ccncc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O 643574798 RMQIRWHEECUVOP-CCNCKIRNSA-N 656.784 2.038 0 40 KEAB O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccncc1F)CC2 1548889063 FVUACODGFCSNAH-NOZRDPDXSA-N 581.670 2.340 0 40 KEAB COC(=O)[C@H](NC(=O)[C@@H]1C[C@H](NC(=O)Nc2ccc(F)cc2F)CN1C(=O)c1cccn1C)C(C)C 3838907 OVUYAAOMXXZIPF-RYGJVYDSSA-N 505.522 2.022 0 40 KEAB biogenic,in-vitro COc1cc(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc(Br)c1OC(C)=O 100929578 SFMBEAXHIWEEGG-VCHYOVAHSA-N 532.347 2.485 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223011590 CVJZMYRQMABYDO-CQSZACIVSA-N 508.394 2.147 0 40 KEAB Cc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1S(=O)(=O)N1CCN(C)CC1 225384315 LSVSKLNCZVOIAV-UHFFFAOYSA-N 571.106 2.489 0 40 KEAB CCOC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F 248042300 LCQMJMOTMRIGEZ-KDQHYCTGSA-N 516.435 2.300 0 40 KEAB CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c3ccccc23)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 253475955 AQBUEVUUOYUTIV-ROKMFXFQSA-N 547.538 2.043 0 40 KEAB CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)C=CC=C[C@H]([C@H](C)O)OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1 253690867 NSFWWJIQIKBZMJ-ONGKPAJLSA-N 532.630 2.393 0 40 KEAB biogenic,in-vitro C[C@]1(Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(=O)O)oc3c2)O[C@](C)(CO)[C@](C)(O)[C@@](C)(O)[C@@]1(C)O 5222577 YGFZTYGCKCRFHN-FOECPVOOSA-N 572.563 2.059 0 40 KEAB biogenic COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1 7059052 ROFUUJRAKGPQJM-UZLBHIALSA-N 513.576 2.105 0 40 KEAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)ccc1OC 20042806 IYPUQHRBWWDCFO-UHFFFAOYSA-N 505.578 2.145 0 40 KEAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)c1 60060579 RTNFCCZJLHEYQW-UHFFFAOYSA-N 549.631 2.316 0 40 KEAB CO[C@H]1C[C@H]2C=C[C@H]3[C@H]4O[C@@]2(/C(C)=C\[C@H](C)[C@@H]([C@@H](C)O)OC1=O)[C@H]3[C@H](O)[C@H](C)[C@@H]4OC(=O)c1ccc[nH]1 100403475 YEUSSARNQQYBKH-VFJFNWDYSA-N 515.603 2.400 0 40 KEAB CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4c(N)n(CC(C)C)c(=O)n(C)c4=O)cc3C2=O)cc1 103137694 ZZJNVQZPJCDYNK-UHFFFAOYSA-N 548.552 2.024 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)cc1C 222589190 KOIDZYFHXDVOBZ-HXUWFJFHSA-N 523.677 2.198 0 40 KEAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1S(=O)(=O)N1CCOCC1 225715158 FSNHGOWXYYHLJM-UHFFFAOYSA-N 527.646 2.474 0 40 KEAB CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1)S(C)(=O)=O 260714002 AAJZDALOYBGUOV-DHIUTWEWSA-N 522.067 2.467 0 40 KEAB O=C1CN(Cc2ccncc2)Cc2ccccc2OCC=C[C@H]2CN1CC[C@H]2CC(=O)N1CC[C@@H](O)C1 958317869 VAKABIHCHBPEMS-KYPHJKQUSA-N 504.631 2.480 0 40 KEAB O=C(CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1 1333367 KJDBDWSNHWSGBJ-UHFFFAOYSA-N 573.649 2.266 0 40 KEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 5762934 WVIROHQCACRCMC-NXCFDTQHSA-N 600.632 2.147 0 40 KEAB NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)c1N 6444819 BKZVJAIBMGXQND-YLJYHZDGSA-N 512.567 2.037 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 6546913 VZALETJKSUDNJW-QFIPXVFZSA-N 564.580 2.102 0 40 KEAB C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](OC(=O)C[N+](C)(C)C)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 8817788 KFPMAYKBBLAZFX-NMTSKXJGSA-N 504.644 2.155 0 40 KEAB COCCN(C(=O)COC(=O)c1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23079710 WXHBDYICTBETHJ-UHFFFAOYSA-N 502.527 2.157 0 40 KEAB Cc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(=O)N4CCN(c5ccccn5)CC4)c3N)cc2)cc1 33436006 DIFRUYPIWSDULP-UHFFFAOYSA-N 518.603 2.316 0 40 KEAB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](c3ccccc3)N3CSC(=S)N(C(C)C)C3)[C@H]2SC1 73242717 AXUHBKPZJHTHPF-WRWLIDTKSA-N 506.675 2.445 0 40 KEAB CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]45)[C@@H]32)ccc1O 100922646 BWSWDBNLAXXHNC-VONSBMPBSA-N 516.597 2.489 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4c(F)c(F)cc(F)c4F)o3)[C@H]2SC1 102101483 MRBOWIFEJAPYPE-HRAATJIYSA-N 544.435 2.330 0 40 KEAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)OCC(=O)N1CCN(c2ccccc2)CC1 103128445 LKDMXBCMJNXEQF-UHFFFAOYSA-N 578.691 2.345 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1 224312249 BOSKNVSCUMLZNA-HXUWFJFHSA-N 551.687 2.076 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225458605 ANUJCCCJHWDPTL-AWEZNQCLSA-N 526.409 2.107 0 40 KEAB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(CC(=O)O)C(=O)[C@H]23)ccc1O 256055462 HUJWUIISPQBVIH-YIEYMOJUSA-N 502.570 2.099 0 40 KEAB CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)/C=C\CNC(=O)/C=C/[C@@H](C)[C@H](C(C)C)OC(=O)[C@@H]12 585672085 SUYRLXYYZQTJHF-FENKCRFESA-N 690.860 2.269 0 40 KEAB CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCCNC1=O 643567349 CZYWPRLQGGQLSI-WUFINQPMSA-N 607.752 2.143 0 40 KEAB COc1cccc(CCNC(=O)[C@@H]2CC(=O)NC(C)(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c1 643576631 XTMDFTOFIHTCJT-VMPREFPWSA-N 657.768 2.064 0 40 KEAB COc1cccc(S(=O)(=O)N2CCO[C@@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)c1 2037905324 GSWGKUWDWJUISU-VWLOTQADSA-N 538.066 2.351 0 40 KEAB COc1ccccc1CCC(=O)N1CCC2(CC1)C[C@@H](O)[C@@H](O)Cc1ccccc1OCC(=O)N(C)C2 2037928581 XJYJKWHPEFEPSJ-BJKOFHAPSA-N 510.631 2.442 0 40 KEAB CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)[C@@H]1CCS(=O)(=O)C1 13013581 XRKQGJVOWUSEFC-XMMPIXPASA-N 533.716 2.478 0 40 KEAB Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O 27571008 WTADQOCDVROMGR-HMAPJEAMSA-N 501.543 2.340 0 40 KEAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)ccc1OC 44883569 QYGTWYKMMVJRGW-UHFFFAOYSA-N 519.605 2.453 0 40 KEAB COC1(OC)[C@@H](O)[C@H](COP(N)O)O[C@]1(n1cnc2c(=O)nc(N)[nH]c21)C(c1ccccc1)(c1ccccc1)c1ccccc1 100796055 PBLQMVDFVZMIOK-BTFGXGOVSA-N 632.614 2.333 0 40 KEAB O=C1[C@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C(=O)N1C[C@@H]1CCCO1 101091479 CDWHTEMYCKNZLL-XDDGOCGTSA-N 526.387 2.297 0 40 KEAB CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O 102738809 MZKGMNRGLFGAAW-QFIPXVFZSA-N 584.724 2.081 0 40 KEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)n1 215916556 JPVFADYUTZZOJW-MRXNPFEDSA-N 547.615 2.150 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(Cl)c1 224366087 MWYFYFGODCOBAD-UHFFFAOYSA-N 530.068 2.476 0 40 KEAB COC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc(C(=O)OC)c1 408581842 ARSSVCHPEJSWRT-OAHLLOKOSA-N 520.560 2.316 0 40 KEAB COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)N5CCOCC5)c(OC)c4)c(=O)n32)c1 409154287 GMYLNIMAJOKNDM-CWJUKMOQSA-N 621.712 2.442 0 40 KEAB COc1cccc(N2CCN([C@@H](c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C[C@@H]3CCCO3)CC2)c1 6176944 KTLCUOHYNOTDNP-LVXARBLLSA-N 545.600 2.343 0 40 KEAB C[C@@]12C=C[C@]3(O1)[C@@H](C(=O)NCc1ccccc1)N(C[C@@H]1CCCO1)C(=O)[C@@H]3[C@@H]2C(=O)NC1CCCCC1 12642185 ARXFALKOVCPKLM-LMEFZLDMSA-N 507.631 2.471 0 40 KEAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)cc1Cl 22248279 XNCLXMKZYBOKNP-QFIPXVFZSA-N 510.056 2.467 0 40 KEAB CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(CC)CC4)cc3)cc2)CC1 35264201 YSLIAIOSMPQRJB-UHFFFAOYSA-N 506.694 2.006 0 40 KEAB COc1ccc(N([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(C)(=O)=O)cc1Cl 100074688 CQTYKGNGIJHEFC-KRWDZBQOSA-N 530.068 2.345 0 40 KEAB CCOC(=O)C1=C(Cn2c(Nc3ccc(O)cc3)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@H]1c1ccc(C)cc1 100239394 OJJDJOBCTKUGLN-QFIPXVFZSA-N 573.610 2.405 0 40 KEAB CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 135956603 NWOGROLFEFUITG-MASCHLQQSA-N 576.526 2.419 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 222971866 LKIJHUPFSCGCQZ-UHFFFAOYSA-N 539.676 2.318 0 40 KEAB COc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(=O)(=O)c1ccccc1 224204452 WECLVUHAKLLCIB-UHFFFAOYSA-N 547.655 2.336 0 40 KEAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCCC2)CC(=O)N(Cc2ccccc2)CC1=O 643570693 OMYCFXWMJAKSJE-MHZLTWQESA-N 577.726 2.437 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(OCC)cc3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(OCC)cc1 989086 MXMSOJOZGOZYRL-QEQIRTOISA-N 550.633 2.348 0 40 KEAB COc1ccccc1N1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C[C@H]2CCCO2)CC1 6177013 BVMNYEXTYXUNSH-NIYFSFCBSA-N 545.600 2.343 0 40 KEAB CC1(C)CN=C(N2CCN(C[C@H](O)COc3ccc(OC[C@H](O)CN4CCN(C5=NCC(C)(C)S5)CC4)cc3)CC2)S1 6232504 KPTLJHVHNWSGKQ-PSWAGMNNSA-N 620.886 2.164 0 40 KEAB CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1 22516847 MURJCAQAMJWOPO-UHFFFAOYSA-N 519.605 2.389 0 40 KEAB Cc1ccc(C(=O)NCCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 25049131 NEURKXXZHNHXNG-UHFFFAOYSA-N 501.605 2.103 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 70672400 NWOGROLFEFUITG-RKJAVHAZSA-N 576.526 2.419 0 40 KEAB Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)ccc1-n1cnnn1 100337154 MFOMKSKWYRGJCZ-CUNXSJBXSA-N 552.599 2.180 0 40 KEAB O=C(NCCc1ccccc1)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2O1 222711867 TZJBCYGERBBIFF-HHHXNRCGSA-N 565.648 2.239 0 40 KEAB Cc1ccc(S(=O)(=O)NCCN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)c(C)c2)cc1C 575420780 FBMNLGAIYYGETK-FQEVSTJZSA-N 514.691 2.077 0 40 KEAB CC[C@H](O)[C@]1(C)OC(=O)[C@]2(C)C(=O)[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@@H]3O)[C@H](C)C[C@@H](C)C(=O)C[C@H]21 604381326 JKPQPSCHAYEURG-FGCJOQFGSA-N 525.683 2.347 0 40 KEAB biogenic,in-vitro O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(I)cc1 3188634 VGQOVLKRKLZQBI-UHFFFAOYSA-N 502.330 2.330 0 40 KEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)O)c(Br)c2)C1=O 9324366 OGBNMXWXSDFNPF-OQLLNIDSSA-N 504.293 2.453 0 40 KEAB CCOC(=O)CN1C(=O)[C@]2(N[C@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c2ccccc21 15320682 XWLRTNZHBAPKED-OMCBRXDHSA-N 507.612 2.318 0 40 KEAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 102873170 ANAZCACPBJGWBY-UHFFFAOYSA-N 528.450 2.136 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 222794839 KCGYMAYJXDTOTK-HNNXBMFYSA-N 512.426 2.387 0 40 KEAB COC(=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)sc1[C@H]2c1ccc(OC)c(OC)c1 248138763 PYRQISFDANFGQF-PXTWDAFRSA-N 516.597 2.100 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCn3cncn3)c2)C[C@](O)(COc2ccc(C)c(C)c2)C1 585281821 BNBMDGILGYZDKF-MUUNZHRXSA-N 523.634 2.075 0 40 KEAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O 643568148 LNNBLVQFAASOKS-AZIXZEHSSA-N 571.678 2.190 0 40 KEAB CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)N2CCCN(C)CC2)CCC(=O)N(Cc2ccccc2)CC(=O)N1 643577116 GAXCEVHJYIJHHA-RRPNLBNLSA-N 577.726 2.291 0 40 KEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 5762932 WVIROHQCACRCMC-CYXNTTPDSA-N 600.632 2.147 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc2c(c1)OCCO2)OCCO3 6446005 CSKOXRXSEOVSLX-GOSISDBHSA-N 514.556 2.440 0 40 KEAB CCOC(=O)[C@H]1C(c2ccc(N(C)C)cc2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F 16682659 LCQMJMOTMRIGEZ-AJHJJNCFSA-N 516.435 2.300 0 40 KEAB COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)C[C@@H]2C(=O)c3ccccc3S2(=O)=O)c1 100455890 LPZPQBUXWMSZRN-HINZLTGWSA-N 570.664 2.468 0 40 KEAB COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)c1 100626448 UGFDSKRIBKKXLI-RNWIMVQKSA-N 597.636 2.494 0 40 KEAB COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)c1 100627002 IFZCJXZATINISS-HOFKKMOUSA-N 578.647 2.300 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 103567059 LVMHPRIXWLGHEH-GJISQHIDSA-N 582.679 2.169 0 40 KEAB COc1ccc([C@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1OC 257199228 XFMJHCZPTXJDKG-HQRMLTQVSA-N 521.570 2.151 0 40 KEAB Cc1ccc(C)c(S(=O)(=O)CCC(=O)N2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)c1 643564171 RESZJUMCJMZKIL-QFIPXVFZSA-N 535.707 2.288 0 40 KEAB CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCNC1=O 643567893 CFVQPMCPROUMNC-LBNVMWSVSA-N 656.180 2.492 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 885981 MBIFDXWWIQCGET-RUZDIDTESA-N 539.612 2.342 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C(F)(F)F)cc4C4CC4)[C@@H]3SC2)s1 2809180 JGCTWQFRMKBSGJ-YOEHRIQHSA-N 560.605 2.470 0 40 KEAB CCOc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCC4)cc1 3324922 PRFFOZPISIKSQQ-UHFFFAOYSA-N 539.639 2.289 0 40 KEAB CC(C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(=O)N(C)[C@@H](C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(C)C 6001856 XSAKVDNHFRWJKS-CMPUJJQDSA-N 640.870 2.495 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F 6601638 DQQFWMMXOUEJPW-OAQYLSRUSA-N 543.577 2.429 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)CC2)c(C)c1 32910191 CBHCUAVLZMFCSD-UHFFFAOYSA-N 529.659 2.407 0 40 KEAB C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)c3ccco3)nc1[C@H]2CC(=O)NCCN1CCOCC1 35978075 FFGBLJSWJNPMBP-YFXFORSBSA-N 546.690 2.242 0 40 KEAB biogenic,in-vitro CCOC(=O)N1CCC(NC(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)CC1 102920869 GXEXIHOVENCVEY-UHFFFAOYSA-N 546.694 2.381 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C(=O)NCc2ccccn2)cc1 222934321 CLPNDGIJMCVDNC-QFIPXVFZSA-N 582.679 2.224 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)c(=O)n2[C@@H]1c1ccc(C)cc1 408821173 DEDOGUCGUVJSQT-CLMIBMGISA-N 560.657 2.123 0 40 KEAB Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CN(C(=O)CCn3ccnc3C)CCO2)ccc1Cl 585283321 DFTXVBIWZICJEL-VWLOTQADSA-N 505.015 2.469 0 40 KEAB Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCn3ccnc3C)CCO2)ccc1Cl 585286312 NYQOOHAGHCZWND-AREMUKBSSA-N 518.058 2.384 0 40 KEAB O=C1CN(Cc2ccccn2)Cc2ccccc2OCC=C[C@H]2CN1CC[C@H]2CC(=O)N1CC[C@@H](O)C1 958317873 VPQKHOWICCJVMA-JCYRPKCISA-N 504.631 2.480 0 40 KEAB Cc1noc(C)c1CN1CCC2(CCOc3cc(C(C)C)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548889062 FSMGBXGHNOJLBA-GGAORHGYSA-N 546.690 2.472 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccccc1OC 685324 XBHXKOIZLLIIKT-RTWFUWSXSA-N 522.627 2.152 0 40 KEAB NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)c1N 6444813 BKZVJAIBMGXQND-PXNSSMCTSA-N 512.567 2.037 0 40 KEAB Cn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc21 9686028 AUABQNRCQJJJRB-UHFFFAOYSA-N 511.604 2.155 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1 12563712 MJFWJLAGEBCBMS-UHFFFAOYSA-N 507.952 2.148 0 40 KEAB CC(C)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70705304 QXJHKOPEADJZIO-KKUQBAQOSA-N 556.619 2.427 0 40 KEAB biogenic C[C@H]1CN(C[C@H](O)COc2ccc(S(=O)(=O)c3ccc(OC[C@H](O)CN4C[C@H](C)O[C@H](C)C4)cc3)cc2)C[C@H](C)O1 101210325 SXNYEHQZYJLEOA-YDWVBLCLSA-N 592.755 2.217 0 40 KEAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1Cl 224449092 AGZYJVUWZHAKDN-UHFFFAOYSA-N 525.432 2.380 0 40 KEAB CCN(CC)CCNC(=O)[C@@H]1CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)COc2ccccc2C(=O)N1 643564838 IWSMUJDHTVWRNE-HJOGWXRNSA-N 545.725 2.087 0 40 KEAB CCOC(=O)c1ccc(S(=O)(=O)N(CCCO)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 6195151 OAHUXAZBBTUEFO-UHFFFAOYSA-N 502.545 2.049 0 40 KEAB COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 13085464 WGYYNUWDBLETIV-OAQYLSRUSA-N 513.591 2.189 0 40 KEAB COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(C(C)C)cc3)CC2)c1 20803083 BWLRIKNREFFGPJ-RUZDIDTESA-N 507.635 2.296 0 40 KEAB COc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1 33445912 DCZCUKUYUURDLE-PXLXIMEGSA-N 525.583 2.399 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 38150094 TWPXUUBHPGQYFO-UHFFFAOYSA-N 544.413 2.234 0 40 KEAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O 66166758 PCRGHTMEGOPCKX-JOCHJYFZSA-N 524.521 2.006 0 40 KEAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C(=O)O)[C@@H](C)O 70701052 QVWRFGLEXKHDDK-HQIOKPDSSA-N 532.597 2.119 0 40 KEAB biogenic COc1ccc(NC(=O)Cn2c(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c3sccc32)cc1 101319255 OUCQKQUYRNVXEZ-UHFFFAOYSA-N 552.609 2.248 0 40 KEAB O=S(=O)(CCC1[C@H]2[C@H](O)[C@@H]3[C@@H]4C5CC3(S(=O)(=O)c3ccccc3)[C@@H]3[C@@H]5[C@H]([C@H]24)[C@@H]1[C@H]3O)c1ccccc1 104290801 VFTFSFIFDJMSPC-LDNXGOKYSA-N 526.676 2.419 0 40 KEAB CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn([C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]3O)n2)cc1 255972782 FVBDVTHTYLLSQE-FCSZGESBSA-N 604.664 2.316 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409041292 UNKWKWSUIWFTDM-UIFFJVJYSA-N 640.667 2.221 0 40 KEAB Cc1csc(CCCNC(=O)[C@@H]2CCC(=O)N[C@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)n1 643568949 HBBUCCFFDGJHLW-GBXCKJPGSA-N 543.690 2.071 0 40 KEAB CN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)CCCCCCOc3ccccc3C(=O)N2)CC1 1615161087 SPFBUFIAAAJZJR-NSOVKSMOSA-N 607.752 2.184 0 40 KEAB CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O1 1615526447 OSDSZHQNFBBDRR-MMGDVHKKSA-N 623.836 2.342 0 40 KEAB biogenic Cc1noc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)c1C 3226421 MSORVBXDJCJFTC-UHFFFAOYSA-N 550.615 2.131 0 40 KEAB Cn1c(N)c(C(=O)CSc2nnc(Cn3cnc4ccccc43)n2-c2ccccc2Cl)c(=O)n(C)c1=O 3359193 JHIYVMGFIKFKNJ-UHFFFAOYSA-N 537.005 2.273 0 40 KEAB Cc1cc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)c(C)c1 8830361 QRKQLHDAXDMMHE-QHCPKHFHSA-N 512.632 2.305 0 40 KEAB COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1OC 9591397 KDDRNJMUBWMRJH-OAHLLOKOSA-N 505.321 2.386 0 40 KEAB COC(=O)c1c(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CCC2 12616668 JYRJAFWRQSSQLA-UHFFFAOYSA-N 522.601 2.148 0 40 KEAB O=C(C1=NO[C@@H]2[C@H]3C[C@H]([C@@H]4C(=O)N(CCNc5ncc(C(F)(F)F)cc5Cl)C(=O)[C@H]43)[C@@H]12)N1CCCC1 12956022 GUSGYQPWCNAVBH-LVPZQSSXSA-N 525.915 2.410 0 40 KEAB CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4cccc(Cl)c4)C[C@H]3C(=O)NC[C@H]1O2 253408341 XMNFPTZJTZHNKI-GEMTWJNPSA-N 591.130 2.031 0 40 KEAB C[C@]1(O)COC2(CCN(C(=O)Cn3c4c(c5cc(F)ccc53)CCCC4)CC2)C[C@@H]1NS(C)(=O)=O 257244695 IMKKADCIYRJGQL-UPVQGACJSA-N 507.628 2.110 0 40 KEAB CCc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)cc1 408582142 VPUJFOAZKFRCEU-QFIPXVFZSA-N 508.619 2.458 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(N)=O)c(Cl)c3Br)C2=O)o1 409400271 NMCDPVJIPIJCFX-WZUFQYTHSA-N 542.726 2.448 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccccc3F)CC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 585282121 HCQBFTRZDQMEED-HHHXNRCGSA-N 537.579 2.036 0 40 KEAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)cc1 10331336 IQEAWLHBKNIVHM-UHFFFAOYSA-N 510.638 2.343 0 40 KEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)ccc1C 12649347 ZZXKOFLTVPRZAQ-UHFFFAOYSA-N 513.613 2.438 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 13637253 QZJVFTARTMYETF-UHFFFAOYSA-N 514.589 2.266 0 40 KEAB CC(=O)[C@H](C)n1c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 22460739 ATNNJBHWWYCVNN-FQEVSTJZSA-N 514.630 2.491 0 40 KEAB COc1ccc([C@H](c2c(O)nc(O)n(-c3ccccc3)c2=O)c2c(O)[nH]c(=O)n(-c3ccccc3)c2=O)cc1CN1CCOCC1 102543559 MWRJIXWHGFVYAG-UHFFFAOYSA-N 625.638 2.210 0 40 KEAB Cc1c([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)ccc2c1C[C@@H]1[C@H]2CC=C2C[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@]21C 253594649 WXQHVBNTINGJJR-ZQQNSBRZSA-N 571.755 2.419 0 40 KEAB biogenic,in-vitro Cn1c(CCC(=O)N2CCC3(CC2)C[C@@](C)(O)[C@H](n2cnc4c(N)nc(N)nc42)CO3)nc2cc(Cl)ccc21 257305789 SRNMVHUNESTWQD-IQGLISFBSA-N 554.055 2.237 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409386795 GKZYXXOXCYSBFO-IUKMQXEJSA-N 591.642 2.095 0 40 KEAB CSCC[C@@H](NC(=O)CC1(c2oc(C)cc(=O)c2O)CCOCC1)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1547212442 ZOANTAREZJVUIX-QHAWAJNXSA-N 571.696 2.138 0 40 KEAB biogenic COc1cccc(CCNC(=O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 1889253724 HJZBONVRTDWIRI-UHFFFAOYSA-N 500.599 2.421 0 40 KEAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1 15959074 HLUDPJMHBYAGPQ-CQBMSCNUSA-N 524.961 2.016 0 40 KEAB biogenic Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20032742 QSMNSVYJRZNBDC-UHFFFAOYSA-N 509.650 2.161 0 40 KEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1S(=O)(=O)N(C)C 103067919 VPFWGRVFMXRHQY-CYFREDJKSA-N 535.619 2.457 0 40 KEAB C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)SCc1ccccc1 103666355 TWURVFFNODFJBJ-NBMBROAQSA-N 610.733 2.039 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C 256079324 AGBCLJAHARWNLA-KIWMVOLWSA-N 785.025 2.147 0 40 KEAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704244 LFPWWWRPYMYDNG-INIZCTEOSA-N 509.606 2.036 0 40 KEAB CCN1CCN(CC(=O)N(C)CCCC[C@H]2C(=O)N(C)CCCCCOc3ccccc3C(=O)N2C)CC1 643559479 JVMSNPISWXBZSU-VWLOTQADSA-N 529.726 2.415 0 40 KEAB COc1ccc(CCC(=O)N2CCC3(CC2)CNC(=O)COc2ccccc2C[C@H](O)[C@H](O)C3)cc1OC 643566894 YVZIZTGZXCPTSJ-XZOQPEGZSA-N 526.630 2.108 0 40 KEAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)COC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)c1 13165247 RSLCDYJFYCMPHT-MUUNZHRXSA-N 518.570 2.385 0 40 KEAB CCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1 19818697 SKZOXMNGCJTAHJ-QHCPKHFHSA-N 514.026 2.217 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2ccccc2OC)CC1 19973278 DOCZCBUQOHJOSI-XMMPIXPASA-N 505.579 2.090 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2ccc(Cl)cc2)cc1OC 22934757 VIUNOEWGTZLFAG-UHFFFAOYSA-N 525.071 2.306 0 40 KEAB O=C(COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl)Nc1ccc(N2CCOCC2)cc1 38152794 KZKXKJSCEUPNIJ-UHFFFAOYSA-N 546.827 2.399 0 40 KEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl 59838143 JPVKQJNCEHNYQU-UHFFFAOYSA-N 560.094 2.087 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cc(OC)ccc4n3C)cc2)CC1 100852854 GNTHYBQSJDCVEY-ZNTNEXAZSA-N 518.617 2.452 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 225030121 SKNYOFASENDOJE-SFHVURJKSA-N 508.616 2.391 0 40 KEAB COC(=O)CSc1nnc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)s1 225696188 RONDKENFIVEVHH-AWEZNQCLSA-N 500.624 2.266 0 40 KEAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 408603569 KYAYXGDXFXSCJP-LJQANCHMSA-N 503.621 2.461 0 40 KEAB CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCOC)c1ccc(OC)cc1 6631478 SXMBDBRVXQKLOL-OAQYLSRUSA-N 527.603 2.382 0 40 KEAB CCN(C(=O)COC(=O)c1cc(NC(=O)c2cccs2)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 12541468 YGARDXRFEIGXMX-HNNXBMFYSA-N 510.590 2.210 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)[nH]c1=O 12851005 XAKDNWBWZBLNBR-UHFFFAOYSA-N 505.641 2.396 0 40 KEAB COc1cc(C(=O)N2CCC(NC(=O)[C@H](Cc3ccccc3F)NC(C)=O)CC2)cc(OC)c1OC 13085078 CDQLQWIDPSCHKO-NRFANRHFSA-N 501.555 2.320 0 40 KEAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1 20031204 GVMRWOYSHXRHQO-UHFFFAOYSA-N 517.629 2.240 0 40 KEAB O=C(Nc1snnc1C(=O)N1CCC(N2CCCCC2)CC1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 33435754 IHRNKMCDZIXXFY-MSOLQXFVSA-N 511.652 2.442 0 40 KEAB COC(=O)[C@@H](O)[C@@](O)(CCC(C)C)C(=O)O[C@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4 38140848 CAOHZEUEVKYHPF-FWSZKYTGSA-N 531.602 2.047 0 40 KEAB Cn1c(CCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 38151101 ZWVHTOQYFQCMTR-UHFFFAOYSA-N 541.051 2.222 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cc1 41077457 GNFMFLLBAQJMGI-UHFFFAOYSA-N 515.592 2.472 0 40 KEAB CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4cccc(OCC(C)C)c4)CC3)nc21 97951598 NIINWEAHBCJNSI-UHFFFAOYSA-N 538.630 2.381 0 40 KEAB COc1cc(C[C@@]2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O 136575667 JSEBBAKNTGQLMM-KSWJDTNCSA-N 542.592 2.494 0 40 KEAB COc1cc(OC)nc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCc3cccs3)cc2)n1 199430758 PTWUJEGHUBGHIE-UHFFFAOYSA-N 505.578 2.391 0 40 KEAB CN1CCN(C(=O)C[C@H]2CN(C(=O)Cn3cccn3)CC[C@@H]2Oc2cccc(Br)c2)CC1 257243714 IIFMJMAMOAMBDG-RXVVDRJESA-N 504.429 2.106 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(F)cc2)CCC(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N1 643571850 OBDZLSZLUQBPLB-WIRXVTQYSA-N 653.752 2.272 0 40 KEAB COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CNCCCn2cccn2)c1 643584020 RSFLIELXTLWBJJ-QAXKFHDJSA-N 631.815 2.109 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccccc1OC 3770604 GLKZJSQDQYOMEL-VFJWVMJUSA-N 502.596 2.435 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccc(O)cc2)CC1)OCO3 6444897 XMHWMJUQFPAYDC-NLFFAJNJSA-N 531.573 2.040 0 40 KEAB COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(C)o1 12714996 ZTVDLKHEEAFKBF-JLTOFOAXSA-N 513.576 2.418 0 40 KEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)n1 22529287 ZDXACKADLSWIAI-UHFFFAOYSA-N 504.594 2.081 0 40 KEAB COC(=O)[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c2ccccc2O1 226078503 TVRQRYZTKDJPLY-NRFANRHFSA-N 504.561 2.072 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCC(=O)O)C(=O)[C@@H]54)[C@@H]23)ccc1O 245238659 YAIVYBNOQIIQME-APRSVPRESA-N 502.570 2.099 0 40 KEAB COC(=O)c1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc(C(=O)OC)c1 408581840 ARSSVCHPEJSWRT-HNNXBMFYSA-N 520.560 2.316 0 40 KEAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(I)c1OCC(N)=O 409400673 QAFLTDGEEQYWRZ-AUWJEWJLSA-N 569.308 2.027 0 40 KEAB C[C@@H]1CCN(C(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)OC(C)(C)C)[C@@H](C(=O)OCc2ccccc2)C1 504221795 FFCCNRNUQHWPRG-YZGWKJHDSA-N 534.614 2.336 0 40 KEAB COc1ccc(CN2CCC3(CCOc4cc(-c5cnn(C)c5)ccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)cc1 1548891273 ZENIUNBODRPLKN-RSXGOPAZSA-N 595.722 2.153 0 40 KEAB COc1ccc(CCNC(=O)CN2CCC[C@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)cc1 2037879758 OKLJUCHVNCLRKC-SSEXGKCCSA-N 534.657 2.321 0 40 KEAB CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)NC[C@H]4CCCO4)n32)C1 20436935 PMNBHFOWVQNAGR-MRXNPFEDSA-N 510.645 2.470 0 40 KEAB CSCC[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCCN1CCOCC1 20573761 YKVGZWKJOPEVEC-DCLXLUIPSA-N 520.721 2.111 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 40164315 WBWWGRHZICKQGZ-UPEYYEIESA-N 515.713 2.368 0 40 KEAB endogenous,in-man CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1)C(=O)O 150339458 CKNVGZIRPDUFOZ-DZUOILHNSA-N 663.772 2.238 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)C)cc1 260764610 USCAGKGBAADRJU-GOSISDBHSA-N 508.616 2.389 0 40 KEAB C[C@@H](C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408703488 GDYLZGOPDDYKPA-WMZOPIPTSA-N 503.577 2.160 0 40 KEAB CN(C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)C1 643577141 BTLROBGGMCIOEB-MTZHBSBLSA-N 721.859 2.173 0 40 KEAB CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 1615076225 NILCJWDPHLXVHJ-PZGSVQSZSA-N 559.063 2.405 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C\c3c(F)cccc3Cl)c2=O)=C(C(N)=O)[C@H]1c1c(F)cccc1Cl 1817123 GEQWZFSFSIXCQB-KAKTVLCNSA-N 552.386 2.447 0 40 KEAB O=C(COc1ccc(Cl)cc1S(=O)(=O)NCCOc1cccc2cccnc12)N1CCOCC1 12375244 NEMBWCVZRLUSSI-UHFFFAOYSA-N 505.980 2.483 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 20031680 AKUZXNSUUFJZMX-UHFFFAOYSA-N 505.662 2.497 0 40 KEAB COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20082850 JRRLLXADPOPUHA-VWLOTQADSA-N 517.590 2.105 0 40 KEAB CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H](O)[C@H]3[C@H](C[C@@H](C)[C@H]12)OC(=O)[C@@H]3CN1CCN(c2ccccc2)CC1 70665719 CXQCZSXZJZQIFQ-QVLVEBFSSA-N 528.646 2.257 0 40 KEAB biogenic C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 96019932 VPWIVZZFZBTLIL-RUZDIDTESA-N 528.587 2.038 0 40 KEAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCC(=O)N1CCOCC1 106757449 FILQIZOKCACBEP-QNGOZBTKSA-N 517.604 2.372 0 40 KEAB CN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H](Cc3ccccc3)C(=O)N(C)CCCCCCOc3ccccc3C(=O)N2)CC1 1615154091 FBDHTPULSBLTGJ-NSOVKSMOSA-N 591.753 2.430 0 40 KEAB Cc1ccc2c(c1)OCCCNC(=O)C1(CCCCNC2=O)CCN(C(=O)C2(C)CCN(S(C)(=O)=O)CC2)CC1 2037884079 UPPQIOYXKLGKMB-UHFFFAOYSA-N 576.760 2.464 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 2163535 AVEPJDIHEZHYJH-UGUGFTGJSA-N 532.622 2.443 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 8399800 SSVTYXHAQSYDSS-UQTDQPHJSA-N 552.653 2.160 0 40 KEAB CCOC(=O)c1ccc(NC(=S)N2CCN(c3ncc4c(=O)c(C(=O)O)cn(CC)c4n3)CC2)cc1 9433991 XEHPFAKPFPCUFA-UHFFFAOYSA-N 510.576 2.205 0 40 KEAB Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 19940613 ZTKFDCUFDOEFFX-XXBNENTESA-N 503.563 2.142 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)CCCCCn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)cc1 29748913 NISCQFXNIIZWIU-UHFFFAOYSA-N 559.714 2.462 0 40 KEAB CN1[C@@H](CCC(=O)NCc2cccnc2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1cccc(OC(F)(F)F)c1 96536590 CSTTYTZQQMRTPK-WPYKKVEZSA-N 505.541 2.450 0 40 KEAB biogenic,in-vitro COc1ccc(C(=O)COC(=O)Cn2cc(I)c(=O)c(I)c2)cc1 102218570 NMNZELAONDSERC-UHFFFAOYSA-N 553.090 2.492 0 40 KEAB COc1ccc([C@@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)c(OC)c1 524731949 QGVQMGDZHXAYGR-LLGFUMIMSA-N 521.570 2.151 0 40 KEAB biogenic CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCCCC2)CCC(=O)N2CCC[C@@H]2C(=O)N(C)CC(=O)N1 643572091 ZJKWQWYRIOWVPA-PIZZNKLWSA-N 654.853 2.320 0 40 KEAB CC(C)=CCC[C@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3C)C[C@@]12C 2061000495 HIFAXNIMAFAPDJ-QHJOFRSISA-N 799.052 2.395 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1 6822172 SCJOLMHMXVPJPR-OAQYLSRUSA-N 525.587 2.160 0 40 KEAB COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2c1 20080270 FBEPRNQQINPXNP-WIOPSUGQSA-N 517.590 2.319 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cc(Cl)cc(Cl)c1 59781046 VEKNVDPNJJRXEN-NRFANRHFSA-N 562.454 2.196 0 40 KEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 223341430 MGZSBEBRWSHAOC-QFIPXVFZSA-N 509.650 2.081 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C(=O)NCCN2CCOCC2)c2ccccc2)cc1 223509513 BZUVLMSPNGVREJ-XIFFEERXSA-N 666.797 2.313 0 40 KEAB CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)CN3CCC(C(N)=O)CC3)CCO2)C1=O 643557246 UQEGIBMBPIBYDB-LJAQVGFWSA-N 528.694 2.215 0 40 KEAB CCn1cnc2sc(C(=O)N3CCC4(CCCCOC[C@H](C)NC(=O)[C@H](C)NC4=O)CC3)c(C)c2c1=O 643564156 PINAMYWPXPZKJE-WMZOPIPTSA-N 531.679 2.219 0 40 KEAB CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N(C)CC(=O)N(CC)CCOc3ccccc3C(=O)N2)cc1OC 643570913 YDQJTMNJBKRHHD-QHCPKHFHSA-N 568.671 2.031 0 40 KEAB COc1ccc(CCC(=O)N2CCC3(CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC(=O)N(C)C3)cc1OC 2037946877 MUZMPRHTSKNJSG-BJKOFHAPSA-N 540.657 2.451 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)o1 886253 JECUHRSXPRSNOT-QHCPKHFHSA-N 527.651 2.264 0 40 KEAB COCCCNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O 8593788 MIIAUCQXLRFFPZ-UHFFFAOYSA-N 502.955 2.007 0 40 KEAB O=C(COC(=O)Cc1ccccc1F)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 8687873 RBTWNBQKFUFNAT-UHFFFAOYSA-N 505.568 2.171 0 40 KEAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 20030966 REZFCXSBTIYFPS-UHFFFAOYSA-N 517.629 2.158 0 40 KEAB NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 20032566 OODBLOZYZMGGOH-UHFFFAOYSA-N 509.993 2.483 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccccc4Cl)C3=O)CC2)c(C)c1 32859547 QGZOUAOYPCCWEE-XMMPIXPASA-N 519.023 2.257 0 40 KEAB COC(=O)C[C@@](O)(CCC(C)(C)O)C(=O)O[C@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4 35395345 HAVJATCHLFRDHY-LSGCGUROSA-N 531.602 2.191 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70701409 ZWFQYBOHVJACPQ-QODMOLNLSA-N 533.585 2.075 0 40 KEAB biogenic CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCCN2CCOCC2)cc1 222795672 MISBXLINHDGLMK-NRFANRHFSA-N 565.136 2.437 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)Cc2ccccc2)cc1 226009086 WEXFORMSYKCIDY-UHFFFAOYSA-N 531.656 2.289 0 40 KEAB CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N([C@H](C)C(=O)O)C(=O)[C@@H]54)[C@@H]23)ccc1O 245237179 XUUMTQZOYYLJEH-HARGHADVSA-N 516.597 2.487 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 408979380 CEFDLXHAJSSDJQ-FAUWUSJQSA-N 538.578 2.279 0 40 KEAB COCCCNC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2cc(Br)ccc21 409145392 HRGLKKSPYSLNRW-JAIQZWGSSA-N 579.473 2.452 0 40 KEAB COC(=O)C1=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 1838920 KWNSCVMYLYVJOF-YLXJWSIRSA-N 590.679 2.436 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccccc2)CC1 20084146 XOHZTKPUOSWCSS-XMMPIXPASA-N 505.579 2.090 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4ccco4)C(=O)N23)cc1 33357797 CWCANHLNYOXNDU-HSZRJFAPSA-N 608.702 2.074 0 40 KEAB O=C(c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 72138488 AJYKYNDYZAMATB-UHFFFAOYSA-N 566.460 2.300 0 40 KEAB Cc1ccc(NC(=O)COC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1S(=O)(=O)N(C)C 103067916 VPFWGRVFMXRHQY-NTKDMRAZSA-N 535.619 2.457 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222484855 SUAVFMLPMIFPON-LJQANCHMSA-N 503.621 2.476 0 40 KEAB Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)n1 643566482 RIHIGFGGPBRSMK-ZEQRLZLVSA-N 577.707 2.267 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O[C@@H]4CC[C@@]5(C)[C@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]56C)C4(C)C)OC[C@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O 1903869826 VQQGPFFHGWNIGX-ZIOHCOIASA-N 897.109 2.373 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](n2nc(N3C(=O)c4ccccc4C3=O)c3ccccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 13410717 UWMUWOPRCFCWED-MSZDEVHKSA-N 521.482 2.161 0 40 KEAB biogenic Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)CC2)C(C)C)cc1 15958124 BTSLAJVJQWBZPB-BJKOFHAPSA-N 529.659 2.349 0 40 KEAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC1)C2=O 66136322 HCHNAPRWUHYVPI-LFVRLGFBSA-N 530.569 2.074 0 40 KEAB O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CCCN1CCN(CCCN2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)CC1 100700199 QJTUCZXIWMBYSY-CZYKHXBRSA-N 537.488 2.420 0 40 KEAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)Oc2ccccc21 215966590 YNMAXHZIODNFGG-OAQYLSRUSA-N 531.616 2.450 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 408979381 CEFDLXHAJSSDJQ-YXFINDDBSA-N 538.578 2.279 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccccc1OC 409114742 QASXFXNTDQZTAC-AYWGPLOBSA-N 516.623 2.459 0 40 KEAB COC(=O)C(=O)[C@@H](C(=O)C(=O)Nc1ccccc1C(C)=O)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]c1=O 1631000 PAGWXNAUMPSWID-JOCHJYFZSA-N 539.500 2.390 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)cc1OC 6074886 NVGDMFDDMCSMOL-SANMLTNESA-N 583.665 2.313 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1Cl 19820934 YXZAPDVTPQGSOB-NRFANRHFSA-N 504.418 2.471 0 40 KEAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1 34873220 TXNONSGNBHFNET-AUSIDOKSSA-N 503.602 2.447 0 40 KEAB CCn1c(SCC(=O)N2CCCC[C@H]2C)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36296017 KPWZNYCRZAUYHX-GOSISDBHSA-N 506.698 2.394 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 70705533 CQXVOXAPQCQGRM-LXTALYMZSA-N 579.650 2.420 0 40 KEAB biogenic O=c1cc(CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)nc2sc(-c3cccs3)nn12 102350407 DMZXRGITBCJQCO-UHFFFAOYSA-N 531.670 2.391 0 40 KEAB O=C(COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 103055655 WIJBBSHRPUVJOY-MTPGRUBUSA-N 513.012 2.174 0 40 KEAB CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccc(I)cc1 224718404 ZHFTZRUTMHVXMV-UHFFFAOYSA-N 543.427 2.206 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 224970561 TVSRKIWJMSVOCV-UHFFFAOYSA-N 567.686 2.081 0 40 KEAB CC[C@]12C=CCN3CC[C@]4(c5cc(Br)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@@H]32 245230293 OTYOQSWRKXGMLS-LLGHXGDHSA-N 535.435 2.404 0 40 KEAB NC(=O)C[C@H](c1cc2ccccc2nc1O)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 524730595 OMNSXYPBHKHVGR-IMFGXOCKSA-N 528.565 2.388 0 40 KEAB biogenic CC(C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCN(C)C1=O 643569200 MRLDVUOTLJCRTB-OZXSUGGESA-N 522.646 2.306 0 40 KEAB COCCN(C(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38140427 RAGBFPSGHMPDMD-UHFFFAOYSA-N 546.580 2.167 0 40 KEAB COc1cc(OC)c([C@H](c2c(O)n3c(nc2=O)SCCC3)c2c(O)nc3n(c2=O)CCCS3)cc1OC 102541163 SDLWNZWSRQNPJE-INIZCTEOSA-N 546.627 2.409 0 40 KEAB CCn1cc(C(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 103071457 WVSMLPAZDRQNRV-VGSWGCGISA-N 557.623 2.390 0 40 KEAB CCOC(=O)c1c(NC(=O)COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)sc(C)c1C 103134426 NZIRPZBYYBFUFK-KZULUSFZSA-N 533.024 2.405 0 40 KEAB O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)O[C@@H](CO)[C@H](O)[C@H]1O 238765492 FJGOEBQRHWKKJH-BONOPNJFSA-N 578.526 2.062 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCC(=O)N4CCOCC4)c(OC)c3)C2=O)o1 409400081 OOLIVTIYPJBKMX-YVLHZVERSA-N 625.372 2.010 0 40 KEAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)c(Cl)c1 20032904 PTOMRYMUJOMKRI-UHFFFAOYSA-N 518.057 2.364 0 40 KEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 20674975 KHFDURLZQBPPSJ-FCHUYYIVSA-N 514.554 2.380 0 40 KEAB CCc1cc(=O)oc2c(C)c(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc12 70691915 DRTWYOMLVCKCMG-DDLBMNSQSA-N 534.514 2.126 0 40 KEAB biogenic CC(C)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70706358 QXJHKOPEADJZIO-JIMJEQGWSA-N 556.619 2.427 0 40 KEAB biogenic COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5ccc(F)c(F)c5)CC4)C3=O)ccc2c1 102896373 MZHUGDHOHJEONX-MHZLTWQESA-N 572.590 2.427 0 40 KEAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 216363780 YHBLPXSMURUYGO-KRWDZBQOSA-N 510.638 2.261 0 40 KEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1Cl 226067430 PGMGEHMXWKPWMR-UHFFFAOYSA-N 518.057 2.152 0 40 KEAB CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 248247987 HUSISCNTLUEZCN-OMNXWORHSA-N 514.656 2.297 0 40 KEAB biogenic,in-vitro COc1cccc(CN2CCCN(C(=O)[C@@H]3CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N4CCC[C@@H]4COc4ccccc4C(=O)N3)CC2)c1 643575222 LJAPSPALJFJTFP-XNAGGRMISA-N 761.965 2.446 0 40 KEAB CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)N(C)CCOc2ccccc2F)NC(=O)c2ccccc2OCCN(C)C1=O 643578745 HLTCOLYHDNONPJ-PKTZIBPZSA-N 556.635 2.233 0 40 KEAB CSc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@H](Cc3ccccc3)C(N)=O)N(C(=O)c3cccn3C)C2)c1 4200897 UNWKMGIHDNVPDR-FJIJXJHWSA-N 548.669 2.365 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 8399879 LVMHPRIXWLGHEH-UQTDQPHJSA-N 582.679 2.169 0 40 KEAB COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)[nH]c2=O)cc1OC 12033446 KAMFJOYXPGNJBI-UHFFFAOYSA-N 512.548 2.311 0 40 KEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2c1ccc(OC)c2OC 12662685 WDILCRRJVPQYJF-WYEJZRMESA-N 521.526 2.246 0 40 KEAB biogenic CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 21986263 YMARZQAQMVYCKC-YFNKSVMNSA-N 505.637 2.403 0 40 KEAB in-vitro COc1ccc(OCCCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 32971991 SKQXPUXOZQRASZ-UHFFFAOYSA-N 517.627 2.090 0 40 KEAB CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3cc4c(cc3C)n(C)c(=O)c(=O)n4C)c21 101212400 AAGIPVKLPQREJT-UHFFFAOYSA-N 521.393 2.018 0 40 KEAB CCS(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC)c1ccc2c(c1)OCO2 260771312 ZXFKTCISWDWGGO-OAHLLOKOSA-N 540.436 2.497 0 40 KEAB Cc1cc(C)c(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCN4CCOCC4)CC3=O)cc2)c(C)c1 408581388 SSPLINWPNWTCME-JOCHJYFZSA-N 508.619 2.431 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 409014061 DTYHJJGCJOIWNS-GKKFRVOYSA-N 591.686 2.353 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCCn3cccn3)c(OC)c2)C[C@](O)(COc2ccccc2)C1 585280977 URTAJHMHUODVDI-GDLZYMKVSA-N 538.645 2.462 0 40 KEAB CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CN[C@H](C)c2cc(O)n3nc(C)cc3n2)CCCCOC[C@@H](O)[C@H]1O 643586718 XCYMANDPGMVLMU-OGJSZLJDSA-N 672.799 2.466 0 40 KEAB CCCCn1c(N)c(N(CC)C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c(=O)[nH]c1=O 12568026 FOVRUOBHOAOAAN-UHFFFAOYSA-N 511.604 2.337 0 40 KEAB CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2ccccc21 20152741 XQDXQLKVRWXAMA-UHFFFAOYSA-N 518.526 2.278 0 40 KEAB C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]43C)[C@@H]2[C@@]1(C)O 67912988 LARPFJIXBULVPK-UDPXAKKWSA-N 650.850 2.435 0 40 KEAB biogenic,in-vitro CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)cc3oc(=O)c4c(c23)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70686735 SMLDASGOAYDLQO-HOZVGSINSA-N 560.552 2.442 0 40 KEAB biogenic CCOC(=O)CN(c1ccc(Oc2ccc(N(CC(=O)OCC)S(C)(=O)=O)cc2)cc1)S(C)(=O)=O 103607094 RBOHIMKDUNAHDU-UHFFFAOYSA-N 528.605 2.137 0 40 KEAB C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222723531 UGCJVWMFQUBDEF-DEOSSOPVSA-N 556.729 2.269 0 40 KEAB C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224409375 IDTVKEZXVLTLDO-QGZVFWFLSA-N 545.630 2.489 0 40 KEAB CCCn1c(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)nc2cc3c(cc2c1=O)OCCO3 28555957 PNDJUPMXDSPUHR-UHFFFAOYSA-N 500.577 2.097 0 40 KEAB C[C@@H](C(=O)NCCCO)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222720050 UQUKYWTYVWOPTN-NRFANRHFSA-N 501.649 2.320 0 40 KEAB Cc1ccc2c(c1)O[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)CN2S(=O)(=O)c1ccccc1 224245964 ZFGQSDVKUYMCKG-RUZDIDTESA-N 559.666 2.397 0 40 KEAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)CC1=O 408667770 KQTXWBLADATVCO-SFHVURJKSA-N 511.531 2.183 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 408986359 PCJURUYPSPSARP-YXFINDDBSA-N 538.578 2.279 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1OC 409005219 SJEJHWURDVBPEA-UHFFFAOYSA-N 519.601 2.181 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 685362 YAKACQBIFZKQDQ-HVQRGMKJSA-N 510.591 2.282 0 40 KEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 3458234 IHTPGYJMOPXLOB-BTDICHCPSA-N 527.024 2.049 0 40 KEAB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]2[C@@H]2C[C@@H]3[C@H]3C(=O)N(CC(=O)O)C(=O)[C@@H]32)ccc1O 101175667 HUJWUIISPQBVIH-VUIMFUHJSA-N 502.570 2.099 0 40 KEAB CC(=O)N[C@H]1[C@@H](Oc2cc3sc(=O)oc3c(Cl)c2Cl)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 103600419 ZFDNZWACMUUPOO-NIYLDPKVSA-N 566.368 2.196 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 409319958 ACSRCVRPIKOXOG-AREMUKBSSA-N 618.759 2.174 0 40 KEAB COc1cc(C[C@]2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O 2095695 JSEBBAKNTGQLMM-QPPRZBLKSA-N 542.592 2.494 0 40 KEAB biogenic CCOc1ccc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3ccc(OCC)c(C)c3)CC2)cc1C 16780573 JDNWPBJVFPDPHK-UHFFFAOYSA-N 525.693 2.386 0 40 KEAB COC(=O)c1ccc2c(=O)n(CCC(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)c(S)nc2c1 32959241 PWVFFJKSSAIFKY-UHFFFAOYSA-N 527.622 2.330 0 40 KEAB COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccco2)c1 38145776 WYEGINAKLHNBAR-HFZDXXHNSA-N 567.620 2.498 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 59851771 HZNAWHJKSGZYIN-UHFFFAOYSA-N 531.656 2.453 0 40 KEAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCOCC1 60028779 OZNLXQLLCYDJPR-UHFFFAOYSA-N 555.650 2.036 0 40 KEAB CC[C@@H](C)NC(=O)Cn1nc2n(Cc3ccccc3)c(=O)c3ccc(C(=O)NCC(C)C)cc3n2c1=O 64581280 PXNIGGPNOOXZQW-GOSISDBHSA-N 504.591 2.160 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 66129171 JOIWHFVALKTYQJ-UHFFFAOYSA-N 528.052 2.400 0 40 KEAB O=C(NC[C@@H]1CCCO1)[C@H](c1ccc(F)cc1)N(CCN1CCCCC1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 100341534 GMVFPWNFFVTYGC-HOFKKMOUSA-N 586.686 2.321 0 40 KEAB COc1cc(OC)c([C@@H](c2c(O)n3c(nc2=O)SCCC3)c2c(O)nc3n(c2=O)CCCS3)cc1OC 102541167 SDLWNZWSRQNPJE-MRXNPFEDSA-N 546.627 2.409 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 216015809 ZFKXPLWZXSFZJO-UHFFFAOYSA-N 532.040 2.309 0 40 KEAB COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc(OC)c1OC 222830234 LMMGVEYTSHWWAQ-UHFFFAOYSA-N 529.011 2.424 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 224486650 PMRMKFLGKKRJRI-OAQYLSRUSA-N 590.120 2.109 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)o1 408980626 GDWLQDSGHVQEJH-CMYPOMNDSA-N 512.540 2.172 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20082811 FYQYWHQPBPZWMK-AREMUKBSSA-N 531.617 2.414 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(Br)c1 139667746 IYMZSVYCHLCCCP-UHFFFAOYSA-N 540.421 2.445 0 40 KEAB CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)S(C)(=O)=O 223187074 FNYDOYHEJLPHSM-DEOSSOPVSA-N 512.607 2.368 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C(=O)NCCCO)c2ccccc2)cc1 223506809 WNCYMAIRTBGGQW-SSEXGKCCSA-N 611.717 2.364 0 40 KEAB COc1cc(CN2CCC(N=c3nc[nH]c4sc(C(=O)N5CCOCC5)c(C)c34)CC2)ccc1OCCO 585292758 NQGKCELUJISVBF-UHFFFAOYSA-N 541.674 2.350 0 40 KEAB O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)CN3CCC(Cc4ccccc4)CC3)CC2)CN1 643566515 RPQPUNMNLCIQCU-WUFINQPMSA-N 549.712 2.413 0 40 KEAB O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCC1)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 12709389 KYUDLNYFHKWMMJ-DHUJRADRSA-N 503.552 2.334 0 40 KEAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 22233651 PPCZWUFRTIJWCD-UHFFFAOYSA-N 507.565 2.457 0 40 KEAB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C 70699659 BMCVYNOMKBSIRU-INEFHSCSSA-N 571.715 2.389 0 40 KEAB COc1cc(NS(=O)(=O)c2ccc(N3CC4=C(C3=O)[C@@H](c3ccccc3)NC(=O)N4C)cc2)nc(OC)n1 100245238 BKBGFRQXIVWVTG-JOCHJYFZSA-N 536.570 2.292 0 40 KEAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)s1 225089830 RSFJPSIXRDTOPF-UHFFFAOYSA-N 501.590 2.334 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2O[C@@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@]45C)C3(C)C)O[C@@H](C(=O)O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O 253500571 AVJNWIDNAJCPRK-ZKQMHOHTSA-N 897.109 2.371 0 40 KEAB biogenic,in-vitro COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1OC 260713456 DHMBOACWQOEGIO-LJQANCHMSA-N 505.637 2.454 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)c1cc(Cl)ccc1OC[C@@H](N)Cc1ccccc1)C(=O)O 2037879862 UYDNTMXCLPKSAD-JAKCGFMDSA-N 547.052 2.268 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCOCCOCCOCC2)cc1 39988376 DUDJNYRIVVEPFB-VWLOTQADSA-N 515.632 2.258 0 40 KEAB CCOc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408630649 WIFCZWMTZPRHFQ-UHFFFAOYSA-N 521.636 2.136 0 40 KEAB Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(C)C)COc2ccccc2C(=O)N1 643571468 BKLSIZSGCJRMFR-AWCRTANDSA-N 632.762 2.241 0 40 KEAB COc1ccccc1N1CCN(C(=O)CN2CCC[C@@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)CC1 2037879667 KKJQOSMYDSUMLM-YTTGMZPUSA-N 575.710 2.311 0 40 KEAB COC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@@H]2CCCO2)cc1 1222157 BRVYNAXMLTUFCB-IBGZPJMESA-N 514.556 2.456 0 40 KEAB CC(C)CN(C(=O)CCC(=O)OCC(=O)c1ccc(F)c(F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 12867052 TUFPMLGVLOEHRT-UHFFFAOYSA-N 508.522 2.248 0 40 KEAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NCCCN2CCCC2=O)c1 14359390 JQDPJRDSPAYWFQ-UHFFFAOYSA-N 522.023 2.446 0 40 KEAB CCCN1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2Cc2ccc(OC)cc2)CC1 20080947 IKFIMQMDUUREPX-RUZDIDTESA-N 517.590 2.417 0 40 KEAB CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC 214666715 BJHSPKMMAKUHIV-MHWRWJLKSA-N 590.392 2.137 0 40 KEAB C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 224368497 SRMUHASNIGMWPJ-LJQANCHMSA-N 509.650 2.211 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 224530396 BYMDZGHMLXZGIE-NRFANRHFSA-N 521.636 2.422 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409041293 UNKWKWSUIWFTDM-YCLJBNKMSA-N 640.667 2.221 0 40 KEAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCOc2ccccc2Oc2ncccc2C(=O)N(C)CC1 643588337 FWUAELAMKYBUES-UHFFFAOYSA-N 543.602 2.140 0 40 KEAB CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(C3CCC(F)(F)CC3)C[C@H]21 1534612621 JGMQKMKEVKFIHO-XJUOHMSHSA-N 522.618 2.343 0 40 KEAB COC(=O)C1=C2[C@@]3(O)C[C@H]4C[C@@H]5[C@H]3CC[C@H](C)N5[C@]24[C@@H]2CC[C@H](O)[C@H](OC)[C@H]2[C@@H]1OC(=O)c1ccccc1 2048392596 QERMOAWMXXPSEU-PUSOMZNRSA-N 523.626 2.474 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 2061001038 WBWWGRHZICKQGZ-COPFPMMCSA-N 515.713 2.368 0 40 KEAB CCN(CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NCCCN1CCOCC1 6192988 VLZOJHIRYIPGID-UHFFFAOYSA-N 531.723 2.430 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N 6546837 ITHZCYLNYYAZTK-GOSISDBHSA-N 519.580 2.088 0 40 KEAB CCN(CC)CCN(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 13564500 CAZSOZWOLQVEOX-UHFFFAOYSA-N 510.682 2.217 0 40 KEAB CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(CO)CC3)cc2)C1=O 22060680 YUNQMQLWOOVHKI-UHFFFAOYSA-N 506.625 2.046 0 40 KEAB in-vitro O=C(OC[C@@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 38152162 SRPSJMLVXZRXTM-UHRQBARKSA-N 557.515 2.137 0 40 KEAB COc1cc(Cc2ccc(NC(=O)CSc3nc(N)cc(=O)[nH]3)c(OC)c2)ccc1NC(=O)CSc1nc(N)cc(=O)[nH]1 59211900 GDGMRNQAONXADS-UHFFFAOYSA-N 624.705 2.087 0 40 KEAB O=C1c2cc(I)cc(I)c2OCC1(CN1CCOCC1)CN1CCOCC1 103598690 UPFUAVYSBXNETC-UHFFFAOYSA-N 598.219 2.122 0 40 KEAB O=C(O[C@@H](CN1CCCCC1)CN1CCCc2ccccc21)[C@H](O)[C@H](O)[C@@](O)(CO)C(=O)O[C@@H](CN1CCCCC1)CN1CCCc2ccccc21 150384968 ZRILNVCXOGVPEX-VMWHPAGXSA-N 722.924 2.133 0 40 KEAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(=O)N1CCCCC1 224303978 HVQIBWZPKIGJNW-UHFFFAOYSA-N 551.687 2.463 0 40 KEAB CC1(C)[C@H](O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(C(=O)O)CC[C@@]3(C)CC[C@]21C 253618030 LPLVUJXQOOQHMX-ZONADNACSA-N 822.942 2.246 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)c(=O)n2[C@H]1c1ccc(C)cc1 408821176 DEDOGUCGUVJSQT-OYEBBYOVSA-N 560.657 2.123 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 408861493 BIYURADYGPSWCL-XOBACGFXSA-N 578.647 2.015 0 40 KEAB CCOC1=C(NC(=O)[C]2CCCN2C(=O)[C@@H](NC(=O)c2ccc(N)c(Cl)c2)C(C)(C)C)CC(=O)O1 1560410135 YSTHUTSBNCHVKK-LJQANCHMSA-N 505.979 2.490 0 40 KEAB CC(=O)O[C@H](C(=O)NC1CCCCCC1)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)NC1CCCCCC1 8429873 XQZLNYADHFMINB-CQJMVLFOSA-N 568.664 2.391 0 40 KEAB CCN1CCN([C@@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)c2nnnn2Cc2ccc(F)cc2)CC1 19527924 CRSYTFSLXLBISB-DEOSSOPVSA-N 507.570 2.446 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(=O)[nH]c1=O 38140435 PFBXRCAUOOMRPU-UHFFFAOYSA-N 542.058 2.040 0 40 KEAB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)[C@@H]1C(c1ccncc1)[C@@H]1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 100218205 UZENZWKGKZRRLJ-WOJBJXKFSA-N 533.447 2.242 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cc1OC 102350305 CBVCOYVSZIRAEW-UHFFFAOYSA-N 545.618 2.481 0 40 KEAB CCN(C(=O)CSc1nnc2n(Cc3ccccc3OC)c(=O)c3ccccc3n12)[C@@H]1CCS(=O)(=O)C1 103060402 ATNZQPBOVVTSOM-GOSISDBHSA-N 541.655 2.229 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 224530518 ZEXJCGOERBLLGX-NRFANRHFSA-N 521.636 2.422 0 40 KEAB C[C@]1(O)COC2(CCN(C(=O)Cn3c(C(F)(F)F)nc4ccccc43)CC2)C[C@@H]1n1ccc(O)nc1=O 257232857 GMSKDEBTTFNVOW-JTSKRJEESA-N 521.496 2.091 0 40 KEAB Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)cc1 408577721 JBKSVQHHZDSKAH-LJQANCHMSA-N 515.010 2.467 0 40 KEAB Cc1cc(Br)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)OCc2ccccc2)cc1C 409003571 SUMVFRCXUVQORE-UHFFFAOYSA-N 505.369 2.163 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)o1 886255 JECUHRSXPRSNOT-HSZRJFAPSA-N 527.651 2.264 0 40 KEAB COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCO 3939238 LFWCJABOXHSRGC-UHFFFAOYSA-N 577.583 2.395 0 40 KEAB investigational CCn1cc(C(=O)NCCN2CCCCC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 67338613 ZTJPLQWJHJQNTJ-UHFFFAOYSA-N 502.685 2.246 0 40 KEAB COc1cc(OC)c(C(c2c(O)nc3n(c2=O)CCCS3)c2c(O)nc3n(c2=O)CCCS3)cc1OC 97949812 BKWICXKUQNFRQZ-UHFFFAOYSA-N 546.627 2.409 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 224472683 FWWSDANCMPKKPZ-UHFFFAOYSA-N 586.132 2.098 0 40 KEAB C[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 257591133 WBDDWIKJZNNKBQ-SAQRDHSISA-N 766.966 2.492 0 40 KEAB biogenic,in-vitro COc1ccccc1CNC(=O)CN1CCC[C@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1 2037879899 WIGBOGOBNPQBRL-GDLZYMKVSA-N 520.630 2.279 0 40 KEAB CC[C@@]1(C(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@]3(C(=O)O)CC[C@]21CO 2060993652 ZLLZSGUMMQSHNF-LEYXTGGCSA-N 694.859 2.456 0 40 KEAB CCOC(=O)Cn1nnnc1CN(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1373870 JANQPCCNEOWTOL-UHFFFAOYSA-N 508.510 2.190 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C\c3cccc(OC)c3)c2=O)=C(C(=O)OC(C)C)[C@@H]1c1cccc(OC)c1 1822891 YDSZDSBVFMOZDF-ZPWPBLDLSA-N 550.633 2.346 0 40 KEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)C2=O)cc1 12869400 SJXQWERTDHYGKS-NRFANRHFSA-N 511.025 2.010 0 40 KEAB CCCC[C@@H](C(=O)N1CCN(C(=O)[C@@H](CCCC)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100679870 LMDFRCCDJMVENG-CNRJSMOGSA-N 604.748 2.389 0 40 KEAB COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2cc(S(N)(=O)=O)ccc21 100876705 HSHKWEXUNYWHQI-SGEDCAFJSA-N 600.700 2.406 0 40 KEAB COC(=O)Cn1/c(=N\C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)sc2cc3c(cc21)OCCO3 100988442 DIBLTYUTQQJNBA-DGIAWOHRSA-N 537.641 2.379 0 40 KEAB CN1CCN(CCCNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)CC1 113631791 HGAWOSYQGRPFRJ-UHFFFAOYSA-N 556.470 2.240 0 40 KEAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1 138764052 DPNQDIBQECQJPH-OAHLLOKOSA-N 517.336 2.083 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 216316007 SCXXRPSEEIFFSM-UHFFFAOYSA-N 532.600 2.164 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 408714920 YOPXBEYIWSFSOJ-VWLOTQADSA-N 557.650 2.444 0 40 KEAB COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3392881 PRZQBMTWFTXAEJ-UHFFFAOYSA-N 582.708 2.126 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1OC 6547175 FVBDXSBUKQBISM-IBGZPJMESA-N 531.616 2.270 0 40 KEAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1C 12856515 XZXMWXJAGPBWCK-KRWDZBQOSA-N 521.592 2.322 0 40 KEAB COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)c1cc(Cl)nc(Cl)c1 14129457 YSVQXEGYFIFGOD-UHFFFAOYSA-N 504.348 2.213 0 40 KEAB C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 85644409 MLKQAGPAYHTNQQ-QRPGRDGWSA-N 650.850 2.434 0 40 KEAB biogenic,in-vitro COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)cc2O)cc1 97997836 OSPUWYWJNWIARF-MYIRVZICSA-N 604.561 2.124 0 40 KEAB Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)ccc1-n1cnnn1 100337157 MFOMKSKWYRGJCZ-WXVAWEFUSA-N 552.599 2.180 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](C)n4cc(Br)c(C)n4)[C@H]3SC2)s1 100991933 IZZUBCBIORHPDT-JIYNIHLBSA-N 559.493 2.206 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)Cn4nc(C)c(Cl)c4C)[C@@H]3SC2)s1 102659310 AOCKKLGPVFUIDD-GJCBIIGPSA-N 543.096 2.480 0 40 KEAB CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)N1CCCCC1 103115558 ACZOBLOXFRWJJX-QGZVFWFLSA-N 533.603 2.308 0 40 KEAB CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](O)C[C@H]1OC[C@]13OC(C)=O 138730708 CIUIETSAKZWPII-UVDWMJHKSA-N 628.671 2.223 0 40 KEAB COc1ccc(OC)c(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1 224408118 WQUVIILILCLGND-IBGZPJMESA-N 569.702 2.228 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225700580 ONVDFYBWTYQJPL-INIZCTEOSA-N 511.622 2.282 0 40 KEAB CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C2CCOCC2)CC3=O)CC1 253402430 OIGVPCQQYKLHBE-GZFNGCIPSA-N 510.679 2.245 0 40 KEAB CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCC(C)CC4)C[C@H]3C(=O)NC[C@H]1O2 253408314 XKWYFLMBUSCHGE-RWZFKDTBSA-N 526.678 2.343 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@@](O)(COc2ccccc2)C1 585279573 DFEPDJLPEFNQQB-NDEPHWFRSA-N 524.618 2.071 0 40 KEAB CC(C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](C(=O)O)[C@H](C)O 12882116 MYYHSDWJYWRFHS-IHPCNDPISA-N 505.612 2.046 0 40 KEAB biogenic CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 14095021 XBGOKFLTNQCANS-XMMPIXPASA-N 500.577 2.276 0 40 KEAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C 20008996 USZGBOMNQFDNEW-NRFANRHFSA-N 503.602 2.179 0 40 KEAB COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1OC 38145152 RRVONYLMXOLTDR-BTYIYWSLSA-N 543.602 2.113 0 40 KEAB COC(=O)c1ccc(NC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)cc1 72332064 WDRMBFZALJOBPN-UHFFFAOYSA-N 518.526 2.394 0 40 KEAB Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NS(=O)(=O)c3ccc(NS(=O)(=O)c4ccc(N)cc4)cc3)cc2)cc1 150407337 UCZQZGRPYIJLQC-UHFFFAOYSA-N 637.743 2.120 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 224209478 JDPMNLISJVJEBB-UHFFFAOYSA-N 524.448 2.205 0 40 KEAB Cc1ccc(C)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1 224287700 AEODVQFWGGZSSA-UHFFFAOYSA-N 509.650 2.049 0 40 KEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224420972 LSIRQFPUBXTJTG-IBGZPJMESA-N 539.676 2.220 0 40 KEAB O=C([C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 408830367 MLGBYDXHBCSGDB-HHHXNRCGSA-N 568.721 2.095 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](O[C@H](C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 575372265 OWMZHUQIGVVXJE-BRVMDFIXSA-N 959.904 2.003 0 40 KEAB CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccc2F)CC(=O)N2CCC[C@H]2C1=O 643574868 WMHTUASBHVNYLH-POLDFPFKSA-N 657.743 2.242 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(F)cc3)c2=O)=C(C(=O)OCC)[C@@H]1c1ccc(F)cc1 2217822 PPLOIIXRCYDQIO-CWDSQJGSSA-N 512.534 2.218 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 2657484 IJBFCVDXLSMOLW-VGOFMYFVSA-N 507.634 2.390 0 40 KEAB COCCCN(C(=S)NC(=O)c1ccc(Br)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3306785 NURIZXLTSGAJBO-UHFFFAOYSA-N 546.447 2.487 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H](OC(C)=O)CN2S(=O)(=O)c2ccc(OC)cc2)cc1 102874978 BPEUKGVCGZNXKF-NFBKMPQASA-N 553.659 2.059 0 40 KEAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222568555 FVCDZVPSQBPADX-JOCHJYFZSA-N 509.559 2.356 0 40 KEAB O=C(NCCCO)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223005218 YPQJWZZFRFGJCL-GDLZYMKVSA-N 595.718 2.225 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C 256079326 AGBCLJAHARWNLA-XUHCCHJNSA-N 785.025 2.147 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)[C@@H](O)C[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 263583580 LKRDZKPBAOKJBT-GMDKHJBXSA-N 780.949 2.218 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCN(C)C1=O 643565840 PFDXPIVKUTZZST-ZEQRLZLVSA-N 522.646 2.306 0 40 KEAB Cc1cc(OC[C@H](N)CC(C)C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)O)cc1Cl 2037879628 IBWJSTIXUIPBBA-COPCDDAFSA-N 520.026 2.303 0 40 KEAB COCCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 6904963 APVGTCCEFZQZJR-LJQANCHMSA-N 501.540 2.123 0 40 KEAB NC(=O)C1CCN(C(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3cc(Br)ccc32)CC1 13634522 PTIZBDWXQPFPMW-UHFFFAOYSA-N 519.783 2.292 0 40 KEAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O 15940407 DSOOFAAUPDEFCY-SANMLTNESA-N 524.574 2.279 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1)OCO3 20081109 QYRAGPBXGRZQPR-LVXARBLLSA-N 529.601 2.330 0 40 KEAB O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59852269 SERQFMHILHOZDS-UHFFFAOYSA-N 557.694 2.435 0 40 KEAB NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc3c(=O)n(Cc4ccc5c(c4)OCO5)c(S)nc3c2)CC1 97986368 WBLAEDWZTWAVOC-UHFFFAOYSA-N 549.653 2.408 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](N2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 98005954 GBQHRAGPKCIDLC-KNOXWWKRSA-N 615.476 2.444 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOCCOCCN(C(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CCOCCOCC2)C(C)C)cc1 163998418 WWMZPLDSGYIBEI-AQOUDTPCSA-N 768.996 2.347 0 40 KEAB CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 223539134 MGYLSSPPIZZKRF-DEOSSOPVSA-N 505.637 2.199 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 225091804 MIRKKJCPXYJVHM-UHFFFAOYSA-N 535.688 2.254 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 225479673 BJXUXAWUTKUNLU-UHFFFAOYSA-N 537.660 2.064 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@@H]54)[C@H]23)cc(OC)c1O 245225805 QCROTELSISKDDD-UXTJKNJLSA-N 546.623 2.497 0 40 KEAB CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn([C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]3O)n2)cc1 255972783 FVBDVTHTYLLSQE-JTUVPFNSSA-N 604.664 2.316 0 40 KEAB COc1ccc(CN2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CCN(C)CC3)C2)cc1CO 257219594 DHINUPDIJUOIOT-MHZLTWQESA-N 501.599 2.141 0 40 KEAB O=C(NCCSCc1ccco1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408926873 RTMBVCZWLYHAFK-HSZRJFAPSA-N 549.696 2.393 0 40 KEAB Cc1ccc2c(c1)OCCCNC(=O)C1(CCCCNC2=O)CCN(C(=O)Cn2nc(C)nc2C)CC1 2037884135 ZMYNNACNEJUXSN-UHFFFAOYSA-N 510.639 2.311 0 40 KEAB O=C(NN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(NC(=O)c3ccncc3)C4=O)cc2C1=O)c1ccncc1 4065245 INZVHZDGIDIMKR-UHFFFAOYSA-N 548.471 2.151 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1ccccc1OC 13136739 IJOMFFGZFKANAJ-CEMPLAKHSA-N 508.552 2.270 0 40 KEAB CO[C@@]1(N)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CS[C@@H]21 72099493 QGXKMJVEULWQSB-VWNXMTODSA-N 524.628 2.106 0 40 KEAB in-vitro O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 96022410 KLNDFZZELBXHSR-UHFFFAOYSA-N 548.687 2.345 0 40 KEAB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@@H]2C[C@@H]3[C@H]3C(=O)N(CC(=O)O)C(=O)[C@@H]32)ccc1O 101175672 HUJWUIISPQBVIH-PCAXZTLESA-N 502.570 2.099 0 40 KEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 103028383 VMGYKSWQYQTZLQ-UHFFFAOYSA-N 563.742 2.471 0 40 KEAB CN1CC[C@]23c4c5cc(-c6cc7c8c(c6O)O[C@H]6[C@@H](O)C=C[C@H]9[C@H](C7)N(C)CC[C@]896)c(O)c4O[C@@H]2[C@H](O)C=C[C@@H]3[C@@H]1C5 103844246 FOJYFDFNGPRXDR-WJOZKXBLSA-N 568.670 2.377 0 40 KEAB in-man CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223225927 XFVVQVHNKBMCKT-FQEVSTJZSA-N 507.584 2.306 0 40 KEAB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCCCN1CCOCC1 408624299 VKPIHCNFTZDIOW-UHFFFAOYSA-N 510.454 2.479 0 40 KEAB CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N[C@H](C(=O)NCCCCN(C)C)CC(=O)N1C 643576589 UNDOSXLEPPJZMI-DTXPUJKBSA-N 664.848 2.132 0 40 KEAB C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]45C)C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 2037521808 OHJWWOZXCKEOGK-PAKITOCESA-N 897.109 2.373 0 40 KEAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)c(=O)n(C)c1=O 2642178 ZKUPHECDAAOCAT-UHFFFAOYSA-N 538.944 2.279 0 40 KEAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 12650101 IURYSIZTKIIZQF-QHHAFSJGSA-N 508.936 2.285 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](C)n4ncc(Cl)c4C)[C@@H]3SC2)s1 16210583 XYRPGPNXVVZDQD-CVKUXFQVSA-N 515.042 2.097 0 40 KEAB CCCn1c(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nc2cc3c(cc2c1=O)OCCO3 28555927 YGCSHYXBNCXNJD-UHFFFAOYSA-N 527.603 2.047 0 40 KEAB COCCN(C(=O)COC(=O)CCSc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38152757 FGXKKBMVHUVGBH-UHFFFAOYSA-N 530.578 2.011 0 40 KEAB O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 100243639 ZGSPALURLQXTET-SANMLTNESA-N 572.684 2.238 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cc1 101510851 PFHNBGQRKAGXEG-UHFFFAOYSA-N 542.618 2.422 0 40 KEAB COc1cc(OC)c([C@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc1OC 524729196 IEWIZPJHDBIIME-UWVAXJGDSA-N 551.596 2.160 0 40 KEAB biogenic COCCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCCCCCOc2ccccc2C(=O)N1 1615155661 HDFCMNIVVXFKKZ-UIOOFZCWSA-N 566.699 2.467 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 6546675 JHFXNDAAHQSFBD-HXUWFJFHSA-N 529.550 2.039 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 6546854 KTLAZTDDKCGGRT-QGZVFWFLSA-N 505.553 2.092 0 40 KEAB COc1ccc(Cn2nnnc2CN(CCCN2CCOCC2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 12833461 YZVGBGFYZVCEFF-UHFFFAOYSA-N 533.633 2.305 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccn4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 103692621 TUJBDTAESXDYIX-DHIPOJKXSA-N 569.519 2.317 0 40 KEAB C[C@H](C(=O)NCCCO)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222874575 KREAJAVGHSUFPC-HXUWFJFHSA-N 519.639 2.459 0 40 KEAB COC(=O)C(=O)[C@@H](C(=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]c1=O 1631005 KKCBEEFDXQMKAF-OAQYLSRUSA-N 511.490 2.496 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 6546901 DCJQNGQLECIBCE-QHCPKHFHSA-N 580.623 2.390 0 40 KEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1=O 14086221 OXJKQRFDWQCJAH-VWLOTQADSA-N 516.595 2.133 0 40 KEAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2)c1 59851951 INZGEWVKFDLHIM-UHFFFAOYSA-N 533.628 2.442 0 40 KEAB COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)cc2O)cc1 70672343 OSPUWYWJNWIARF-SXEGYFPYSA-N 604.561 2.124 0 40 KEAB CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](CN3CCN(c4ccccc4)CC3)[C@H]1[C@@H]2OC(C)=O 70712349 AOTYYZLJECCICM-QVLVEBFSSA-N 528.646 2.257 0 40 KEAB biogenic Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224227087 RAPWWNNWJALVNZ-UHFFFAOYSA-N 509.650 2.229 0 40 KEAB C[C@H](O)[C@H](CCCCCCCCCCCCCCCC[C@@H](O)[C@H](C)NCC(=O)O)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253529489 BFJZLVDYMQIIMI-TZSZJORZSA-N 593.799 2.218 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(C)cc43)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409119632 XJKGQFSSKWTYME-SADKCHQCSA-N 503.536 2.158 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)[C@@H]2CCCNC2)CCCCOC[C@@H](O)[C@H]1O 643551369 HJKDTKBIMCBXRP-UUSJWDGRSA-N 551.700 2.060 0 40 KEAB Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c(C)c1 643579147 ROUACAGUCOJTES-BJKOFHAPSA-N 552.672 2.369 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N 6546638 UQNNGSPJPIAVBI-HXUWFJFHSA-N 531.541 2.165 0 40 KEAB CCCN1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2Cc2ccc(OC)cc2)CC1 20080950 IKFIMQMDUUREPX-VWLOTQADSA-N 517.590 2.417 0 40 KEAB CCN(CC)CCCNC(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 67338605 WCXLLOYIXRIYAM-UHFFFAOYSA-N 504.701 2.492 0 40 KEAB CO[C@H]1C[C@@H](O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O 70691688 WPKQVDYSPWCVGM-IUQUPKOUSA-N 550.689 2.227 0 40 KEAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409113105 DNDOJSVYIWOHOT-VFJWVMJUSA-N 519.579 2.162 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(Cc2cc[nH]n2)CCCCOC[C@@H](O)[C@H]1O 643913380 UQRSMLLTUVXSAA-TWJOJJKGSA-N 520.646 2.457 0 40 KEAB C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)C[C@](C)(O)CC(=O)O)O[C@H]2O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@]3(C)C(=O)C[C@]3(C)[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]43C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 1534688784 QHNUTPIUYCONRY-PKZIQWDYSA-N 925.119 2.442 0 40 KEAB COC(=O)[C@@H](C)OC(=O)COc1ccc(-c2coc3cc(OCC(=O)O[C@H](C)C(=O)OC)ccc3c2=O)cc1 2061000180 WZZRQTSPYAVWSS-HZPDHXFCSA-N 542.493 2.427 0 40 KEAB CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O 15940700 PUPLSAUYQWLEQQ-ROUUACIJSA-N 535.667 2.164 0 40 KEAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](CC(N)=O)N[C@@]23C(=O)Nc2ccc(Br)cc23)c1 15972639 SQWAPGHVFYOHHN-XTCJLCLGSA-N 503.353 2.106 0 40 KEAB CCn1c(SCC(=O)Nc2ccc(O)cc2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36295996 OZQLOQOJBXSWQE-UHFFFAOYSA-N 516.649 2.338 0 40 KEAB COc1ccc(CCNC(=O)CSc2nc(-c3ccccc3F)nc3c2c(=O)n(C)c(=O)n3C)cc1OC 60133510 SAPDHNDLWBFMCK-UHFFFAOYSA-N 539.589 2.302 0 40 KEAB CC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\[C@@H](OCCC4=CC(=O)OC4)[C@@H](C)O)[C@@](C)([C@]34CO4)[C@@]2(CO)CC1 67910266 JGIYRVDWRBKREW-AWETXGMISA-N 530.614 2.315 0 40 KEAB biogenic,in-vitro CO[C@@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2C[C@@H](O)[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O 87530439 DKYDBQQIQAPGMH-XGOVAQEESA-N 550.689 2.081 0 40 KEAB in-vitro CC(=O)OC[C@H]1O[C@@H](N2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 98005955 GBQHRAGPKCIDLC-LXHROKJGSA-N 615.476 2.444 0 40 KEAB O=C(Nc1c(C(=O)N(CCN2CCOCC2)CCN2CCOCC2)cnn1-c1ccccc1)c1ccccc1F 100133694 KUZRTXBQPHAPFA-UHFFFAOYSA-N 550.635 2.370 0 40 KEAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)c(F)c1F 105309555 RFYCHHFKWIWLML-UHFFFAOYSA-N 520.530 2.460 0 40 KEAB CC(=O)Nc1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)C5CCOCC5)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 253402946 PCGGWAJXJCITIX-AUXUOOQGSA-N 647.773 2.329 0 40 KEAB CC(C)c1nc2cc(C(=O)N3CCC4(CC3)C[C@H](n3cnc5c(N)nc(N)nc53)[C@@](C)(O)CO4)ccc2[nH]1 257215865 CRZZZLKBROMLBK-BVZFJXPGSA-N 519.610 2.378 0 40 KEAB COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)c1 408655138 KXRKIIGXSKVVMU-CQSZACIVSA-N 520.336 2.142 0 40 KEAB O=C(O)C[C@@H](C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 605697968 JXYJZHURUPDUSA-SEKOGJSVSA-N 597.592 2.435 0 40 KEAB in-vitro CN([C@@H]1CCCN(C(=O)CN2CCC3(CCCCc4ccccc4OCCNC3=O)CC2)CC1)S(C)(=O)=O 643559005 YGVXYBSEIYQGFX-XMMPIXPASA-N 548.750 2.263 0 40 KEAB CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CC(=O)N[C@H](C(C)C)C(=O)N1 643565877 QXITWTRTRXGNFZ-PNBNRWGDSA-N 621.779 2.388 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@]2(C)C[C@@H](C)C(=N[C@H](C)[C@@H](O)[C@]1(C)O)O2 1534514530 BPENQAXMHXRNMD-UNXOCSFDSA-N 730.937 2.405 0 40 KEAB biogenic Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c2ccc(Br)cc2Cl)cc1 38152229 NAUCDNYWBKOFCW-UHFFFAOYSA-N 546.827 2.330 0 40 KEAB CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)O)C(C)C 70699489 CEDTWGRUDCMCSJ-RJGXRXQPSA-N 522.602 2.230 0 40 KEAB biogenic CCN(C(=O)COC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 103136282 ZFOWEZKRCWRZJA-CYBMUJFWSA-N 529.464 2.120 0 40 KEAB CC(=O)OCC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@]4(O)C[C@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@H]3CC[C@]12C 118933483 ZTWWQCOHUBHIGI-AZVBVXSISA-N 508.608 2.482 0 40 KEAB COc1ccc(CNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1OC 216425129 XOJHUXFMUBKQAL-UHFFFAOYSA-N 504.346 2.391 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223091447 ATSLBSADXRDDDP-NRFANRHFSA-N 503.621 2.476 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@H]1[C@H](C[C@@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@]1(O)[C@@H]2OC 250325905 NWBWCXBPKTTZNQ-FXMODCFWSA-N 584.710 2.222 0 40 KEAB COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1OC 408663504 YLXCERLRZALUDS-CQSZACIVSA-N 509.437 2.398 0 40 KEAB CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 1534688795 RCCBQPYIPSPBFI-GUAZAXBKSA-N 780.993 2.316 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@@H]1c1ccc(Cl)cc1 2288211 ZXIYXXUKNZSPSE-YDJIHCHBSA-N 507.955 2.325 0 40 KEAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 20032476 DRIIKLAXEXZTBV-GOSISDBHSA-N 509.650 2.243 0 40 KEAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1 41077475 CANNEOUQGFETAY-UHFFFAOYSA-N 504.569 2.068 0 40 KEAB CC(=O)Oc1c(O[C@H]2O[C@@H](C(=O)O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc2oc(-c3ccccc3)cc(=O)c2c1O 70664992 KXVRUTRUTLGTEP-JOVHSHKASA-N 614.512 2.074 0 40 KEAB biogenic COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c(N)n(Cc2ccccc2)c1=O 103134328 NNGXYQSHIRINKP-UHFFFAOYSA-N 555.016 2.237 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225457914 ZJJCCDWQOBDMSO-UHFFFAOYSA-N 567.686 2.081 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1OC 408556955 FMUZJDBLFOGYAB-FQEVSTJZSA-N 531.631 2.178 0 40 KEAB Cc1oc2cc(OCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 1825866 VGIVADNEFGXCRV-FQEVSTJZSA-N 537.569 2.051 0 40 KEAB biogenic C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(S(C)(=O)=O)ccc4n3C)cc2)C[C@@H](C)O1 9444880 VNSFOMHSWBLRQL-MRTGLHLOSA-N 523.658 2.182 0 40 KEAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 13522885 VRNZHRYEWCQVJW-UHFFFAOYSA-N 515.510 2.311 0 40 KEAB COc1ccccc1-c1nn2c(=O)cc(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2s1 41085884 ZKTJJUZIZWXHLV-UHFFFAOYSA-N 515.592 2.472 0 40 KEAB COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 224439720 KIWCYXKLQZCNSK-UHFFFAOYSA-N 633.745 2.424 0 40 KEAB CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@H](NC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)/C(O)=C/O)[C@H]1OC(C)=O 252478884 AWUHWCGAUJTMSZ-AUDXUKJGSA-N 697.694 2.014 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O 257199204 WLOHNSSYAXHWNR-WKNIFJATSA-N 835.086 2.202 0 40 KEAB Cc1ccc2c(c1)OCCCNC(=O)C1(CCCCNC2=O)CCN(C(=O)c2ccc(=O)n(C)c2)CC1 2037883899 DKOQDHJGGAWQND-UHFFFAOYSA-N 508.619 2.415 0 40 KEAB CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(C(=O)Nc3ccc(Br)cc32)C(C(=O)OCC)=C(N)O1 1303330 WPPDSEZBKJAINY-JOCHJYFZSA-N 523.336 2.173 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccccc4F)CC3)CC2)cc1 20039371 SAPCJGVICFLRGS-UHFFFAOYSA-N 523.652 2.209 0 40 KEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc2)n1 60028233 HPDOVRGFJMNINZ-UHFFFAOYSA-N 531.616 2.000 0 40 KEAB CC(C)CNC(=O)c1ccc2c(=O)n(Cc3ccccc3)c3nn(CC(=O)NC4CCCC4)c(=O)n3c2c1 64581282 AYCRRXHIPKXYLY-UHFFFAOYSA-N 516.602 2.304 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 223835335 ADTZJJUQNOJJRK-CYBMUJFWSA-N 505.565 2.453 0 40 KEAB Cc1cccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1C 224487809 VUJFBQHXFRHLRH-UHFFFAOYSA-N 553.703 2.066 0 40 KEAB CCc1nc2ccccc2n1CCC(=O)N1CCC2(CC1)C[C@H](n1cnc3c(N)nc(N)nc31)[C@@](C)(O)CO2 257230803 GDZUGCSQOCGUHE-SIBVEZHUSA-N 533.637 2.067 0 40 KEAB COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)c2ccccc2O1 260728497 BULQIBSBGBUALU-HRAATJIYSA-N 504.561 2.072 0 40 KEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc2)nc(C)n1 2626717 NXMDULUXODTYQK-UHFFFAOYSA-N 545.643 2.476 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F 6601373 DQQFWMMXOUEJPW-NRFANRHFSA-N 543.577 2.429 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1OC 8445325 XAGCJEMXPIBHOH-QFXGEWDLSA-N 509.584 2.237 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@H](C)n4ncc(Cl)c4C)[C@H]3SC2)s1 8715736 XYRPGPNXVVZDQD-FUEZOXIYSA-N 515.042 2.097 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 9969875 SELMPVQYOROLAA-FJWZAKCXSA-N 508.552 2.351 0 40 KEAB CCOC(=O)N1CCN(C(=O)c2c(F)c(F)c3c(c2F)N(Cc2ccco2)CCS3(=O)=O)CC1 12324915 PMTWVEIZELIZGY-UHFFFAOYSA-N 501.483 2.405 0 40 KEAB CCOC(=O)C1=NO[C@@H](CNC(=O)C2=NO[C@H](CNC(=O)c3c(-c4ccccc4Cl)noc3C)C2)C1 12859396 JGYBLEIUOMVEGQ-UONOGXRCSA-N 517.926 2.002 0 40 KEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2cccc(C)c2)cc1 20030749 HBULANUYLVGOMQ-UHFFFAOYSA-N 501.630 2.458 0 40 KEAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)cc1Cl 59851935 UPOSLMCAVLSMJP-UHFFFAOYSA-N 540.019 2.492 0 40 KEAB Cc1ccc(Cn2nnc3c(O)nc(C4CCN(S(=O)(=O)c5ccc(-n6cnnn6)c(C)c5)CC4)nc32)cc1 100445915 HPNHFKNWCOCNGP-UHFFFAOYSA-N 546.617 2.136 0 40 KEAB COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2cc(S(N)(=O)=O)ccc21 100872988 YIVVDYQUYASJPB-BZZOAKBMSA-N 552.700 2.158 0 40 KEAB O=S(=O)(CCC1[C@H]2[C@H](O)[C@@H]3[C@@H]4C5CC3(S(=O)(=O)c3ccccc3)[C@H]3[C@@H]5[C@H]([C@H]24)[C@@H]1[C@H]3O)c1ccccc1 104290794 VFTFSFIFDJMSPC-MGYIGLIJSA-N 526.676 2.419 0 40 KEAB CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)ccc1OC 222902823 MMGOHMRRSWDVJR-QHCPKHFHSA-N 509.584 2.370 0 40 KEAB Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c(C)c1 224365501 UGQSHWNLPFJDGO-UHFFFAOYSA-N 523.677 2.439 0 40 KEAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)Oc3ccc(C)cc32)cc1 224477844 LPLOQSRBZJHKRO-NDEPHWFRSA-N 631.729 2.176 0 40 KEAB O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(Cc4cccc(Cl)c4)C[C@@H]13)CC[C@@H]2O 253401471 MZPWKMMABALEDG-ALJFMCDRSA-N 514.022 2.474 0 40 KEAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n32)cc1OCC 408937351 QKQDITKGMUMTHZ-DLBLZJNESA-N 539.610 2.245 0 40 KEAB CCOC(=O)[C@@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc2ccccc12 2071244 QGBWDGWFKQAHDP-VQIMIIECSA-N 512.588 2.450 0 40 KEAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C[S@](=O)C2 6208155 NWHAUWJAPNGMSG-MGBGTMOVSA-N 500.602 2.216 0 40 KEAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 14129281 JGBJXRRBVOHQJK-QHCPKHFHSA-N 522.530 2.478 0 40 KEAB CC(C)CN(C(=O)COC(=O)CCC(=O)c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32666474 CRYFWETUDJPIPF-UHFFFAOYSA-N 512.588 2.424 0 40 KEAB COc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc(Br)c1O 103061136 DZYDIMVFMUTBCB-UHFFFAOYSA-N 541.420 2.470 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224469508 TYMKXPWLLNXGAK-JOCHJYFZSA-N 560.094 2.101 0 40 KEAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 225550834 WIBKVOVNPRCPNR-GOSISDBHSA-N 512.053 2.274 0 40 KEAB CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F 245240933 VHFJTWKDAGBIQF-HNASSTCJSA-N 503.392 2.242 0 40 KEAB CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C 253476354 AGBCLJAHARWNLA-DRFQOGPISA-N 785.025 2.147 0 40 KEAB biogenic,in-vitro CCOC(=O)c1c(NC(=O)COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)sc2c1CC[C@@H](C)C2 3300090 OAHUJGXZXQUEPY-CYBMUJFWSA-N 507.590 2.029 0 40 KEAB COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1Cl 3351721 MWYFJAUNKFLXMS-XNTDXEJSSA-N 529.962 2.281 0 40 KEAB CCS[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(Cl)ncnc21 5665546 FGQYLRHJNNSISP-RTGYIXHDSA-N 589.023 2.021 0 40 KEAB Cc1c(N(C(=O)c2cccnc2)S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C 10129374 DCBABRNHOQYGJS-UHFFFAOYSA-N 504.528 2.085 0 40 KEAB Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 16010365 VAAIETQDVNBDGV-SYSFZUQMSA-N 501.370 2.488 0 40 KEAB O=S(=O)(CCC1[C@H]2[C@H]3[C@@H]4[C@@H]1[C@H](O)[C@@H]1[C@@H]4C4CC1(S(=O)(=O)c1ccccc1)[C@H]([C@@H]43)[C@@H]2O)c1ccccc1 104290797 VFTFSFIFDJMSPC-UCCRADRGSA-N 526.676 2.419 0 40 KEAB C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C)O[C@H]2O[C@@H]2C[C@H](O)CC3=CC[C@@H]4[C@H](CC[C@@]5(C)[C@@H]4C[C@@H]4O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]45)[C@]32C)[C@H](O)[C@H](O)[C@H]1O 255993348 OWGURJWJHWYCIQ-ZAVVDWDISA-N 722.913 2.388 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3)c(OC)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 585273098 ALBQJGLHEMWFIO-NDEPHWFRSA-N 560.598 2.350 0 40 KEAB CN(C)CCCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N1 643565885 MFJDRVQRBINBTK-UIUQJESISA-N 602.736 2.225 0 40 KEAB CN1CCN(C(=O)CNS(C)(=O)=O)CCOc2ccc(-c3cccnc3)cc2Cc2cccc(c2)C1=O 643567612 LQCSBVUXPQFLRR-UHFFFAOYSA-N 522.627 2.182 0 40 KEAB CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCC2)CC(=O)N1C 643576005 CEHIVKFOXSOZHR-CHQNGUEUSA-N 676.859 2.277 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@H](O)C[C@@H](O[C@@H]3[C@H](O)C[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)[C@H](O)C[C@@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@H]1O 2002125250 LKRDZKPBAOKJBT-AQHCLTLKSA-N 780.949 2.218 0 40 KEAB CCCOc1ccc(C(=O)CCC(=O)OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 12897408 KVCSQBTZAIHHAK-UHFFFAOYSA-N 522.558 2.125 0 40 KEAB COc1ccc(OC)c(CN2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)CC2)c1 13060498 CVWREXIRESDSJJ-UHFFFAOYSA-N 524.039 2.336 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1)OCO3 20081116 QYRAGPBXGRZQPR-RLWLMLJZSA-N 529.601 2.330 0 40 KEAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 32911081 GQTVYSGXIMPLOI-UHFFFAOYSA-N 508.618 2.182 0 40 KEAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 100377783 ICSZYYFFURIJJP-HHHXNRCGSA-N 616.675 2.390 0 40 KEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C1=O 103139648 HMHBLMRKQGJXAA-RYUVBPIJSA-N 532.594 2.419 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 44882384 COGAKZIBDRZJFU-OAQYLSRUSA-N 509.606 2.036 0 40 KEAB Cc1ccc(-n2ncc(C(N)=O)c2NC(=S)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1 97982660 PABQPGZLHVJLOZ-UHFFFAOYSA-N 577.088 2.389 0 40 KEAB CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 101264786 WDDHSGOIZWMUML-HSZRJFAPSA-N 560.577 2.142 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)COc2ccc(-c3ccccc3)cc2)c(N)n(Cc2ccccc2)c1=O 103086932 JLMVDYDEKBQZTL-UHFFFAOYSA-N 557.559 2.285 0 40 KEAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1C(N)=O 222385720 SKCBOHGILGKGJY-CLAROIROSA-N 553.745 2.464 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224690277 WCSZWCKAOFYEDZ-LJQANCHMSA-N 503.621 2.476 0 40 KEAB CC(C)(C)OC(=O)N1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NC(=O)C4CCOCC4)[C@@H](CNC(=O)[C@@H]2C1)O3 253398298 GWWLPDDBZCOBMC-GEMTWJNPSA-N 600.713 2.106 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 409164526 JTKGBAFXGDBBID-FOOGSPQISA-N 637.711 2.062 0 40 KEAB COC[C@@](C)(COP(=O)(N1CCOCC1)N1CCOCC1)C[C@@H](C)COP(=O)(N1CCOCC1)N1CCOCC1 4429751 DLRXYJYQUONZDQ-RPBOFIJWSA-N 612.642 2.244 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(=O)[nH]c1=O 13009441 KRUHKRZVYHWQFD-IVCQMTBJSA-N 504.632 2.045 0 40 KEAB CCN(C(=O)COC(=O)c1oc2ccc(OC)cc2c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32666519 JPZUNFLZCAWQSC-UHFFFAOYSA-N 506.515 2.440 0 40 KEAB COc1ccccc1N1CCN(C(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)CC1 45925004 GAGVAMYTKKSNDM-UHFFFAOYSA-N 505.647 2.403 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 59418615 MPVZGDZWLKNYTI-GSOQPGDSSA-N 506.536 2.452 0 40 KEAB CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(C(=O)OC)cc3)N(CCN3CCOCC3)C2=S)cc1 97995509 DRXHRHJBGCWFFR-QHCPKHFHSA-N 568.652 2.313 0 40 KEAB O=C(C1=NO[C@@H]2[C@H]3C[C@@H]([C@@H]4C(=O)N(CCNc5ncc(C(F)(F)F)cc5Cl)C(=O)[C@H]43)[C@@H]12)N1CCCC1 100924301 GUSGYQPWCNAVBH-WIFQFXJLSA-N 525.915 2.410 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1 224425426 BCKSEJQZKSGCHE-UHFFFAOYSA-N 565.714 2.466 0 40 KEAB CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 253389151 YOSRLTNUOCHBEA-ZKDAMXFTSA-N 794.976 2.409 0 40 KEAB biogenic,in-vitro CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409389223 PFCWPVMYBPCQJZ-SBXHHDGASA-N 561.616 2.087 0 40 KEAB CCOC(=O)/C=c1\s/c(=C/c2ccc(OC)cc2OC)c(=O)n1CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 585139639 WZUFIDFJMAVUPY-MAXGUHEBSA-N 502.633 2.040 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCNC1=O 643564783 FYXRFXNPWPOCBD-GOTSBHOMSA-N 526.609 2.103 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccccc2F)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643579076 OTWWSMGUCJQTOY-UIOOFZCWSA-N 590.652 2.430 0 40 KEAB Cc1ccccc1CN1C[C@@H]2Oc3cc(-c4cccnc4)ccc3S(=O)(=O)NC[C@H](O)CN(C)[C@@H]2C1 1534611742 CGRGUGKHDCJPGQ-GSLIJJQTSA-N 508.644 2.273 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCCC2(CCN(C(=O)Nc4cccc(F)c4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 1548891295 ZFVCGWFTPYGUMT-RPWUZVMVSA-N 612.684 2.316 0 40 KEAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)n(-c2ccccc2)n1C 3229124 NBESAFNKIWKMQS-GOSISDBHSA-N 512.588 2.453 0 40 KEAB COC(=O)[C@H](NC(=O)[C@@H]1[C@@H](NC(=O)Nc2ccc(F)cc2F)CCN1C(=O)c1cccn1C)C(C)C 3839211 ZLZLMHDIKVHHCG-SXLOBPIMSA-N 505.522 2.022 0 40 KEAB biogenic,in-vitro CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(C)(=O)=O)c1 20037176 MLWKYIWCKNUKQK-UHFFFAOYSA-N 502.574 2.490 0 40 KEAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(C)(=O)=O)c(OC)c1 22514145 CEGXSIKYMYYABH-UHFFFAOYSA-N 520.589 2.304 0 40 KEAB CCOC(=O)C1CCN(c2nc3ccccc3n3c(=O)n(CC(=O)Nc4cccc(OC)c4)nc23)CC1 35372049 IZZYNMQBVZELLI-UHFFFAOYSA-N 504.547 2.471 0 40 KEAB Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CCOCC1 38140462 HFILGHWGSFOOND-UHFFFAOYSA-N 544.413 2.234 0 40 KEAB CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)O)C(C)C 70701286 HDRNVJCXWPFIKE-KMDXXIMOSA-N 547.612 2.321 0 40 KEAB biogenic CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(Cl)c5)c4n3)CC2)cc1 100445740 ISATWIZJPDBVGY-UHFFFAOYSA-N 592.103 2.447 0 40 KEAB COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 102876779 YTFWCDVGGITYHG-IBGZPJMESA-N 564.686 2.095 0 40 KEAB CN(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224405235 VAEFNIFQJIWCEO-UHFFFAOYSA-N 530.068 2.330 0 40 KEAB CN(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 224405404 XMTNYJOSLSESIU-UHFFFAOYSA-N 523.677 2.457 0 40 KEAB CS(=O)(=O)N(CCCC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccc2c(c1)OCCO2 224749054 MNFCAZBEZWEVKX-UHFFFAOYSA-N 503.621 2.153 0 40 KEAB O=C(COc1ccc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)cc1)Nc1cccc(Cl)c1 408581403 SWVNUTGNVJUWAG-SFHVURJKSA-N 500.983 2.159 0 40 KEAB CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](CO)NC(=O)c3ccc(OC)cc3)n2C)cc1 408595593 KCJJKOQHQNLXQN-LJQANCHMSA-N 513.576 2.195 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C[C@](O)(COc2cccc(F)c2F)C1 585286898 KASLHBAZXXEJHH-HHHXNRCGSA-N 537.579 2.036 0 40 KEAB CCCCC/C=C\CCCCCCCCCCC(=O)OC[C@H](O)CO[P@](=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O 604374031 OMTZYPPXGQVBFG-LJIPAPJUSA-N 598.667 2.248 0 40 KEAB biogenic,in-vitro COc1cccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)c1 883758 CWQKYXZFAIUUFO-UHFFFAOYSA-N 503.606 2.242 0 40 KEAB COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 13085311 YUXDNNOHKAVBBV-OAQYLSRUSA-N 513.591 2.189 0 40 KEAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C(=O)O)[C@@H](C)O 70701047 QVWRFGLEXKHDDK-JOXCDDNUSA-N 532.597 2.119 0 40 KEAB biogenic CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)cc2)CC1 97987843 MXWYZJRCAWPTAQ-UHFFFAOYSA-N 588.668 2.301 0 40 KEAB CCCn1cc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 102920673 ZAVSMKKQSWKVGU-UHFFFAOYSA-N 606.193 2.403 0 40 KEAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]2[C@H]2C[C@@H]3[C@@H]3C(=O)N(CC(=O)O)C(=O)[C@@H]23)cc1OC 169678270 ACVICMKIVRMSAI-BHCSVMPBSA-N 502.570 2.012 0 40 KEAB CC[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(OC)cc1)C(=O)C[S@@](=O)CC(=O)Nc1ccc(OC)cc1 195788146 NBTPOBRBJACTDU-IUAALWJCSA-N 559.685 2.494 0 40 KEAB CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 256080448 YOSRLTNUOCHBEA-IICMNQABSA-N 794.976 2.409 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(=O)O)c(OC)c3)C2=O)o1 409400902 UYGGFIIZKNIHAD-MLPAPPSSSA-N 509.265 2.394 0 40 KEAB Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1 643574717 LOIUISVRJRKLTQ-DPFTZIENSA-N 701.869 2.336 0 40 KEAB CO[C@H]1CN(C(C)=O)CCCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CCCCOC[C@H](O)[C@@H]1O 643585185 SFIOCBWWPVFUBX-GNKBHMEESA-N 548.706 2.145 0 40 KEAB CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)[C@H](C(=O)NC(C)(C)C)c1ccc(O)cc1 6546233 BSQUXWKGTGRFDN-QHCPKHFHSA-N 508.579 2.402 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 8451572 AIPIFVGMKVEDEF-VOZFUJEASA-N 539.610 2.245 0 40 KEAB CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)c2C(N)=O)C1 11883205 ORWQPEFVRZKMMN-INIZCTEOSA-N 506.650 2.277 0 40 KEAB O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NC[C@H](c1cccs1)N1CCOCC1 13007235 IUUZYSKEVBOQAJ-QGZVFWFLSA-N 502.456 2.369 0 40 KEAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 17576690 GJLWWTVHUSSCFF-UHFFFAOYSA-N 528.564 2.043 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)c(=O)[nH]c1=O 38140308 HNAZTDZEYYZFSQ-UHFFFAOYSA-N 543.646 2.427 0 40 KEAB CC(C)C[C@@H]1OC(=O)[C@H]2CCCN2C(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O 67910490 RPJBXUNEXVNBIF-QLWYNGESSA-N 655.837 2.149 0 40 KEAB biogenic,in-vitro Cc1cnn([C@@H](C)[C@H](C)N(CCNS(=O)(=O)c2ccccc2)CCNS(=O)(=O)c2ccccc2)c1 69706174 HACGYWPEHPNBHC-VXKWHMMOSA-N 519.693 2.400 0 40 KEAB Cc1ccc(NC(=O)COC(=O)c2cccc(I)c2)cc1S(=O)(=O)N1CCOCC1 103112397 DJJFBKPVWDAHAY-UHFFFAOYSA-N 544.367 2.416 0 40 KEAB COc1cc(/C=C\C(=O)N2CCN(C[C@@H](O)COc3ccc(C(C)=O)c4c3OCCO4)CC2)cc(OC)c1OC 111389046 SYFDPNLESAYNCB-HUCIYCNJSA-N 556.612 2.284 0 40 KEAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1C 224297714 JXTVWLPSKQIFNP-FQEVSTJZSA-N 523.677 2.438 0 40 KEAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)Oc3cc(C)ccc32)cc1 224477529 AUEWQHJARMQRPF-NDEPHWFRSA-N 615.730 2.476 0 40 KEAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 225051636 QZXUOOCZNUYFSU-IBGZPJMESA-N 505.637 2.456 0 40 KEAB CN1CC(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC1=O 643566690 HSLDQAPUGUBBGE-NOZRDPDXSA-N 580.657 2.021 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 9694767 YLBHLZJQGOLGFQ-UHFFFAOYSA-N 528.628 2.260 0 40 KEAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 13119606 DWTBKPTZOJDCME-DEOSSOPVSA-N 519.023 2.339 0 40 KEAB CCCOc1ccc(CN(C(=O)c2nc(S(C)(=O)=O)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 16752849 DNMHBALOYBDMBI-HNNXBMFYSA-N 502.014 2.152 0 40 KEAB Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1Cl 19818716 DGKVJOFIJJMVAM-JOCHJYFZSA-N 501.990 2.265 0 40 KEAB COC(=O)c1ccc2c(=O)n(CCN3CCOCC3)c(SCC(=O)Nc3cccc(OC)c3)nc2c1 20643694 LAGLTWPDVIXYHA-UHFFFAOYSA-N 512.588 2.255 0 40 KEAB COc1ccc(-c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c(S(=O)(=O)NC[C@H]2CCCO2)c1 95946464 DWRAQOQYXWUFMX-VQTJNVASSA-N 510.634 2.277 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4c(F)c(F)cc(F)c4F)o3)[C@@H]2SC1 102101489 MRBOWIFEJAPYPE-IERDGZPVSA-N 544.435 2.330 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc(N)nc(N(C)C)n3)n2[C@H](C)COC)c1 102853737 XNXIJDAFTFRVBT-OAHLLOKOSA-N 535.700 2.309 0 40 KEAB CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1cc2sc(=O)oc2c2ccccc12 103600384 AQBUEVUUOYUTIV-NXYPFGISSA-N 547.538 2.043 0 40 KEAB CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(I)cc1 138286739 SUJDBOLVUKXWMC-UHFFFAOYSA-N 557.410 2.130 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 215911771 XSACVYCVCHSXPL-UHFFFAOYSA-N 593.465 2.489 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 224240384 GOOVXDWFSWSOTR-UHFFFAOYSA-N 544.095 2.327 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 224486779 YIYLAMSQYBMDEU-JOCHJYFZSA-N 578.084 2.240 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccc(C)cc3)CC2)C[C@](O)(COc2cccc(F)c2)C1 585283150 QJZFNQUGCWELPB-MUUNZHRXSA-N 515.626 2.066 0 40 KEAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCc2c(C)nn(C)c2C)CC(=O)N(Cc2ccccc2)CC1=O 643570640 LYXRIVBDQLNUMU-MHZLTWQESA-N 588.709 2.154 0 40 KEAB Cn1cc(NC(=O)CN2CC[C@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)cn1 2037879265 JWORCSWEUYVAED-DMDYGQEQSA-N 548.688 2.040 0 40 KEAB COc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)cc1OC 930498 HZQOYOYNPCITAE-UHFFFAOYSA-N 537.642 2.259 0 40 KEAB Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N23)[nH]n1 2968612 OYFBNSRCWVQCDM-GOSISDBHSA-N 545.581 2.484 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)o2)cc1 6512007 IAAJNMHWRFLGAI-UHFFFAOYSA-N 533.632 2.437 0 40 KEAB COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1 7059000 ROFUUJRAKGPQJM-JXFKEZNVSA-N 513.576 2.105 0 40 KEAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)cc2C1=O 12929094 VJZXXYHZDOINAT-UHFFFAOYSA-N 508.936 2.172 0 40 KEAB CCn1c(SCC(=O)N2CCC[C@@H](C)C2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36296023 VOIZHWUGSPDMNG-GOSISDBHSA-N 506.698 2.252 0 40 KEAB CC(C)Oc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1 224317737 AXICKPBAHNNWEX-UHFFFAOYSA-N 539.676 2.220 0 40 KEAB CC(=O)O[C@H]1C[C@]2(C)[C@@H]3CC=C4[C@@H](C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)C4(C)C)[C@]3(C)CC[C@]2(C)[C@@H]1[C@@](C)(O)C(=O)CCC(C)(C)O 253501054 VJWYQRXPCZNDKS-WEVGMTORSA-N 710.902 2.160 0 40 KEAB biogenic,in-vitro CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1Br 408548874 MOTHDXWARAUPJE-WUXMJOGZSA-N 520.130 2.219 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccccc3F)CC2)C[C@](O)(COc2cccc(F)c2F)C1 585285016 BNTSMHNHXUOKPH-HHHXNRCGSA-N 537.579 2.036 0 40 KEAB CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 1326950 XRHAJYQMOSEYIC-UHFFFAOYSA-N 506.519 2.017 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](n2nc(N3C(=O)c4ccccc4C3=O)c3ccccc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4293735 UWMUWOPRCFCWED-OYSWMMLKSA-N 521.482 2.161 0 40 KEAB O=S(=O)(N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc5c(c4)OCO5)n3)CO[C@H]12)c1cccc2cccnc12 5413755 MHWJVQAOPZCAAO-QKFIJCJASA-N 533.566 2.346 0 40 KEAB biogenic,in-vitro COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 9348947 PUNJXCZQSJIVPF-NWKGEQBZSA-N 510.568 2.443 0 40 KEAB O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)N1CCN(c2ncccn2)CC1 9968880 OIACFUHORDLKLD-UHFFFAOYSA-N 508.586 2.358 0 40 KEAB COc1ccccc1CNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 12864348 FVIBWHVCUMNZLO-RXVVDRJESA-N 516.639 2.454 0 40 KEAB biogenic COc1ccc(NC(=O)CNC(=O)c2ccccc2OC)cc1NC(=O)CNC(=O)c1ccccc1OC 13132217 NSYCAWBUBZOONV-UHFFFAOYSA-N 520.542 2.449 0 40 KEAB COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2c1 20080274 FBEPRNQQINPXNP-DHLKQENFSA-N 517.590 2.319 0 40 KEAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 22232697 RWGPWTUMJVBJDU-UHFFFAOYSA-N 507.565 2.457 0 40 KEAB O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc2sc3c(c12)CCCC3 25266466 ZIEJNJDOGXYEOF-UHFFFAOYSA-N 502.618 2.141 0 40 KEAB COc1ccc(NC(=O)Cn2c3cc(=O)n(N4CCN(C)CC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c(OC)c1 100432352 WJHAJTPBFMGVEK-UHFFFAOYSA-N 589.678 2.411 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4cccc5ccccc45)C3=O)CC2)cc1OC 102896111 ZCHLIAUEDFPORC-MUUNZHRXSA-N 566.636 2.157 0 40 KEAB Cc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1 224434986 STSIMTAEURYPFT-UHFFFAOYSA-N 573.693 2.406 0 40 KEAB CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(C(C)(C)C)cc3)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 230037320 VUEIIBXTOTUGJY-PKSHOOMXSA-N 606.698 2.440 0 40 KEAB CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)c1cc(Cl)ccc1OCCNCc1ccccc1)C(=O)O 2037879902 WLIIUKZMNRADFX-REWPJTCUSA-N 533.025 2.098 0 40 KEAB CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c12 70691576 XAKSFGPHKQCSPF-YGXLPCTBSA-N 541.645 2.207 0 40 KEAB biogenic Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC(C)C)C2=O)cc1 95568114 OXQHZKLQGSUWSB-AREMUKBSSA-N 544.630 2.209 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](OC(C)=O)CN2S(=O)(=O)c2ccc(OC)cc2)cc1 102874973 BPEUKGVCGZNXKF-OFNKIYASSA-N 553.659 2.059 0 40 KEAB CCCCn1c(CCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 150402243 RHAQMBMTGFCXFQ-UHFFFAOYSA-N 691.829 2.301 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)cc1 222824365 ZYIHRVBRZGGRDY-UHFFFAOYSA-N 530.068 2.297 0 40 KEAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 224423701 KZCNXWAAAHDDKT-UHFFFAOYSA-N 541.717 2.399 0 40 KEAB CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)/C=C/c2cccc(F)c2)CCCCOC[C@@H](O)[C@H]1O 643551338 CPDZXSXHKFDYFM-ZMQHFJMASA-N 508.631 2.478 0 40 KEAB COCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222936907 NJIVJTSRCTWIJZ-HXUWFJFHSA-N 505.637 2.027 0 40 KEAB CC(=O)N1CCN(Cc2ccc(OCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1 585278852 ALRIIAQNVJGEQQ-GDLZYMKVSA-N 538.645 2.178 0 40 KEAB CC[C@H](O)[C@]1(C)OC(=O)[C@]2(C)C(=O)[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@@H]3O)[C@H](C)C[C@@H](C)C(=O)C[C@@H]21 604381327 JKPQPSCHAYEURG-WREVDCDASA-N 525.683 2.347 0 40 KEAB biogenic,in-vitro COCC(=O)N1CCCN(C)CCN(C(=O)CCc2ccc3c(c2)n(C)c(=O)n3C)Cc2ccccc21 643554373 HLOFZFFXEFTQBA-UHFFFAOYSA-N 507.635 2.153 0 40 KEAB COc1cccc(CCCNC(=O)[C@@H]2CC(=O)NC(C)(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c1 643576101 IDLYAHJCXKRHIC-KYJUHHDHSA-N 671.795 2.454 0 40 KEAB O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccccn1)CC2 1548888835 BBGLUXCIFGTWQG-RPBOFIJWSA-N 563.680 2.201 0 40 KEAB CC(C)(C)[C@@H]1CCc2c(sc3c2-c2nnc(SCC(N)=O)n2-c2nnc(SCC(N)=O)n2-3)C1 2263084 FGULXNGNWAKRPI-SECBINFHSA-N 504.667 2.196 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)C(=O)Nc3ccc(Br)c(C)c3)CC2)cc1 19831520 SUOYREDJXQQKSZ-UHFFFAOYSA-N 523.453 2.127 0 40 KEAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(C)(=O)=O)c1 20045331 CRARYDZRFGXYPD-UHFFFAOYSA-N 520.589 2.304 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(S(=O)(=O)NC(C)C)ccc3OC)C2)cc1 38754949 ZEDPVBRSPUXZMX-QGZVFWFLSA-N 525.649 2.430 0 40 KEAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O 103116045 NSCUNWBJPHGKKH-NDEPHWFRSA-N 554.600 2.498 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 225461683 ZBTPGZWEZGVRPZ-HNNXBMFYSA-N 529.432 2.364 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 225978843 VDAHBVIYTVHTJQ-UHFFFAOYSA-N 501.630 2.457 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 409171208 YTCQEHDDKQZJIY-NAIWQIQESA-N 637.711 2.062 0 40 KEAB COc1ccc(OCCN(C)C(=O)[C@@H]2CCC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643579964 HPULRPCYIBMOPR-UIOOFZCWSA-N 582.698 2.493 0 40 KEAB Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3Cc2ccccc2)cc1 12376612 YWUMFFRDAWTLPT-IBGZPJMESA-N 511.507 2.225 0 40 KEAB CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C[C@@H](NC(C)=O)c2ccccc2)CC1 72136965 VZQYFWLCCHMGJH-XMMPIXPASA-N 543.690 2.055 0 40 KEAB CN(C(=O)CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1)[C@H]1CCS(=O)(=O)C1 103137534 FJDAWJLNAAOQHD-KRWDZBQOSA-N 525.612 2.232 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 210736785 JRXXZLNZGSRENH-BXDIUNCMSA-N 508.552 2.270 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1F 224407639 LRPGVZSDNDPSJK-UHFFFAOYSA-N 531.603 2.101 0 40 KEAB Cc1c([C@H](C)[C@@H]2NC[C@H](C)C[C@@H]2O)ccc2c1C[C@@H]1[C@H]2CC=C2C[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@]21C 253594644 WXQHVBNTINGJJR-KPNDRWTJSA-N 571.755 2.419 0 40 KEAB biogenic,in-vitro O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)NCCCN1CCOCC1 408589837 GCTJGJCKJHRUBM-UHFFFAOYSA-N 512.426 2.467 0 40 KEAB CN1CCC(N2CC(=O)N3CC[C@@H](CC(=O)N4CCOCC4)[C@@H](/C=C\COc4ccccc4C2)C3)CC1 514287626 RNVWSLPDKBZZGH-GZFNGCIPSA-N 510.679 2.245 0 40 KEAB CC1(C)CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O[C@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 1857789595 KAYMPWXMHIUNGC-MWIWEZJSSA-N 766.966 2.494 0 40 KEAB COc1ccc(/C=C/C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 3295318 JRRGOHCKTSHEDP-YUAYGMJFSA-N 514.600 2.466 0 40 KEAB COc1ccc(N2C[C@H](C(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)c(OC)c1 38151090 IWOXRXRDILJGMV-LJQANCHMSA-N 535.601 2.226 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Cl)c3C3CC3)[C@H]2SC1 97945784 PPKUMWINOMGOGU-LXZCPCIYSA-N 536.916 2.295 0 40 KEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1 98006328 AKXPHPMFWSADMA-NSOVKSMOSA-N 542.640 2.115 0 40 KEAB COc1ccc(OCCNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 223773622 LNMMYFDQUVVRQY-UHFFFAOYSA-N 504.346 2.261 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 223981039 NKPDKLOJPWZLOA-QGZVFWFLSA-N 507.609 2.032 0 40 KEAB CN(Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1)S(C)(=O)=O 408706425 RHOXQOFFNWZXKM-UHFFFAOYSA-N 510.619 2.353 0 40 KEAB NS(=O)(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 409392251 QOFCXRNAYRFBLN-UHFFFAOYSA-N 501.586 2.493 0 40 KEAB COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1OC 29749740 JHYOMGPIKPXVKE-UHFFFAOYSA-N 580.619 2.011 0 40 KEAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c(=O)[nH]c1=O 102777630 DIBDNTDWEZMCFU-NRFANRHFSA-N 547.637 2.401 0 40 KEAB COc1ccc(C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1S(=O)(=O)N1CCOCC1 222918940 PQCJTDOTVRZFJG-UHFFFAOYSA-N 503.606 2.023 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 223445981 OACQIGGUEHEITN-FQEVSTJZSA-N 505.593 2.133 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(C5CCCCC5)CCN4C3=O)O2)cn1 253400163 KVRSIYOCMSBMSE-QMMWJRKVSA-N 551.688 2.353 0 40 KEAB CCOC(=O)/C=c1\s/c(=C/c2ccc(OC)c(OCC)c2)c(=O)n1CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 585139634 RWDMKFHQXCSUST-IPDVRMRYSA-N 516.660 2.430 0 40 KEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 19943768 DBHJTYOIUWPXPN-XZOQPEGZSA-N 510.591 2.236 0 40 KEAB CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 67903288 CJHYKSSBQRABTM-ZMOSEFQTSA-N 650.850 2.435 0 40 KEAB biogenic,in-vitro CCOC(=O)[C@@H](C)C[C@H](C)C(=O)N1CCOCCN(C(=O)[C@H](C)C[C@H](C)C(=O)OCC)CCOCC1 102695288 UAGMDKBSYWLEFF-LRSLUSHPSA-N 514.660 2.141 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 224232903 TYYWAFJGIOEYNJ-UHFFFAOYSA-N 537.704 2.107 0 40 KEAB CN(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccccc1 224329292 ONJIVSHPNNZUDC-UHFFFAOYSA-N 509.650 2.067 0 40 KEAB COc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1 224336137 KBROJXVCJZFCDZ-UHFFFAOYSA-N 539.676 2.221 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1 224389305 SGRICEDNVYNBCT-OAQYLSRUSA-N 565.714 2.466 0 40 KEAB COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]5OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)cc3O2)cc1OC(C)=O 247896761 CZEMXLAKEGUZBI-PJRNDKISSA-N 904.824 2.488 0 40 KEAB biogenic,in-vitro C[C@H]1CN(C2CCN(S(=O)(=O)c3cnc(O)nc3O)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl 618257069 QHWMPZCYCMPHSY-LBPRGKRZSA-N 536.964 2.319 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)CCNC(=O)c2ccc(Br)cc2)c(=O)[nH]c1=O 12900202 NYIWDILDVVNWDF-UHFFFAOYSA-N 508.417 2.491 0 40 KEAB Nc1cnn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)n1 70664742 BNYBUTCVPIZYGY-DDKRZIBASA-N 556.531 2.426 0 40 KEAB Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc12 71788050 QJTXNKRKKORBPY-RXVVDRJESA-N 530.626 2.337 0 40 KEAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 98007017 GZTFEZXRWFPLQF-HXUWFJFHSA-N 553.616 2.004 0 40 KEAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 102874196 WBAMBLXSYUBEDR-UHFFFAOYSA-N 533.550 2.272 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)c4ccccc4O3)CC2)cc1 113633439 ANMKHRDNKLDGJZ-RUZDIDTESA-N 541.651 2.484 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 224439147 SNFZNXIZIMODTC-SFHVURJKSA-N 519.620 2.379 0 40 KEAB CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 253389148 YOSRLTNUOCHBEA-HFTZSEPWSA-N 794.976 2.409 0 40 KEAB biogenic,in-vitro CC(C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCNC1=O 643567854 ABNQLIDSTXSCHU-WAKHXKBOSA-N 694.185 2.106 0 40 KEAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccccc2OC)CC(=O)N[C@H](CC(C)C)C1=O 643578639 BWPROVRQPICRAX-RPWUZVMVSA-N 582.698 2.493 0 40 KEAB O=C(COC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)Nc1ccc2c(c1)OCCO2 13146233 LGKJCGSTJLFASH-MZNJEOGPSA-N 515.519 2.379 0 40 KEAB COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 16974576 HEEMAZOCUSKGMJ-UHFFFAOYSA-N 508.550 2.363 0 40 KEAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 59838352 ZQSNEIAJQQFVKE-HSZRJFAPSA-N 545.683 2.460 0 40 KEAB Cc1nn(C)cc1[C@H](C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 100323425 VJXLDYJYHFPYJN-NBGIEHNGSA-N 557.673 2.071 0 40 KEAB CC(C)c1nc2ccccc2n1CCCC(=O)N1C[C@H](n2cnc3c(N)ncnc32)[C@@](C)(O)C[C@@H](O)C1 257261546 LHUHXGQEUQJCPY-FHLBMDLUSA-N 506.611 2.247 0 40 KEAB CC(C)Cc1nc2ccccc2n1CC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c(N)nc(N)nc31)CO2 257317174 VIRKOOGCGNHBKG-NFQMXDRXSA-N 547.664 2.313 0 40 KEAB CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1 5249516 YKPKXXLFFFVROW-ROXDYWFKSA-N 558.536 2.427 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)o1 12716782 CYYNJBDXZLPTFX-SFYKDHMMSA-N 512.567 2.187 0 40 KEAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc(C(=O)OC)c1 40399659 KXVOVTDRQMZNIX-MRXNPFEDSA-N 509.450 2.290 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3F)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 103692738 YKEMJYWTAXGIRJ-OBBCHVIHSA-N 576.526 2.419 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC2)cc1 38152297 SNDFLPOCNQFHMW-UHFFFAOYSA-N 528.414 2.108 0 40 KEAB COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21 100872934 SPMJCUXTGAIWNL-BZZOAKBMSA-N 552.700 2.302 0 40 KEAB CCOc1cc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc(OCC)c1OCC 100876820 KANMBOVVZRYVNC-BZZOAKBMSA-N 537.616 2.460 0 40 KEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2cc(S(N)(=O)=O)ccc21 100877651 FHXXHOAJCOROFH-RFBIWTDZSA-N 588.689 2.480 0 40 KEAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc(I)c1OCC(=O)OC 205675806 FUSOBOIUEGEYRV-NTUHNPAUSA-N 535.312 2.451 0 40 KEAB CC(=O)O[C@H]1C[C@]2(C)[C@@H]3CC=C4[C@@H](C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)C4(C)C)[C@]3(C)CC[C@]2(C)[C@@H]1[C@](C)(O)C(=O)CCC(C)(C)O 253501032 VJWYQRXPCZNDKS-CYDCYCJFSA-N 710.902 2.160 0 40 KEAB biogenic,in-vitro O=C1CC[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccc(O)cc2)N1 643567079 RERLNJJJXXGKMK-SVBPBHIXSA-N 590.652 2.395 0 40 KEAB CCOc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC 643568811 GLLWNADYUVRKLF-REWPJTCUSA-N 568.671 2.077 0 40 KEAB CN(C[C@]1(O)CCCN(c2ccnc3cccnc23)C1)C(=O)CC[C@]1(c2ccc(F)cc2)NC(=O)NC1=O 2037880242 YARWXJHYCXNOOO-KAYWLYCHSA-N 520.565 2.074 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccccc1 2697384 OMOYNYMNDRAHLA-LYHOESIGSA-N 510.369 2.493 0 40 KEAB COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1 9030342 STCIMPRHAGYAII-FCKOQQNDSA-N 524.595 2.451 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C)C(=O)NC[C@H]3CCCO3)n2)cc1OC 12716724 BWDITNJBTXJWMV-SJLPKXTDSA-N 514.608 2.131 0 40 KEAB COC(=O)c1ccc2c(=O)n(CCC(=O)NCCCN3CCN(c4ccccc4F)CC3)c(S)nc2c1 32959237 SARNIAPZWQGSSS-UHFFFAOYSA-N 527.622 2.330 0 40 KEAB COc1ccc(-c2nn3c(=O)cc(CN4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)nc3s2)cc1 41085915 VQCSOQHDFCNRAP-UHFFFAOYSA-N 515.592 2.472 0 40 KEAB CCn1cc(C(=O)Nc2ccc(C(N)=O)cc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 67338273 MFXSOGDOHSZAEE-UHFFFAOYSA-N 510.620 2.382 0 40 KEAB Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccnc2)ccc1-n1cnnn1 100337221 ATULLTNQPBOHQG-WXVAWEFUSA-N 552.599 2.180 0 40 KEAB COc1ccc(S(=O)(=O)N(c2cccc(-n3cnnn3)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 101141125 SICPSSSMXIWRIO-UHFFFAOYSA-N 561.598 2.281 0 40 KEAB CN1CCO[C@@H](CN(CCCOc2ccc(S(C)(=O)=O)cc2)CCCOc2ccc(S(C)(=O)=O)cc2)C1 102750696 AVKCEKLLJQSDIF-XMMPIXPASA-N 554.731 2.364 0 40 KEAB Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1Cl 224290402 LMNMFGKDBWNLQR-UHFFFAOYSA-N 530.068 2.394 0 40 KEAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3Cl)c2)n1 226082559 WFRACHPADQXZKV-UHFFFAOYSA-N 518.979 2.437 0 40 KEAB CC(=O)Nc1ccc(CN2CCN3C(=O)c4ccc(-c5cnn(C)c5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 253407543 WOQHAZPYTQDMAV-YQOCYVMFSA-N 616.719 2.179 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409041383 VLCRJRSHWVDTSL-GFPOGIEWSA-N 624.716 2.094 0 40 KEAB COc1ccc(C(=O)[C@H](NCCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2oc(C)cc(=O)c2O)cc1 1547139420 PTJOSBCRDLUZHA-FXABVQRQSA-N 533.581 2.374 0 40 KEAB biogenic CCCC(=O)OC[C@@H]1O[C@@H](n2cnc3c(S)nc(N)nc32)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC 17352938 PBICKNLZVRHBCU-UEUGXWHFSA-N 509.585 2.362 0 40 KEAB CCOC(=O)C1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 102921157 HJQPWWWZUKFSQG-UHFFFAOYSA-N 538.070 2.308 0 40 KEAB O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)COc3ccc(CN4CCCC4)cc3)CC2)CN1 643565376 DLSHWECQZCULFJ-RRPNLBNLSA-N 551.684 2.133 0 40 KEAB COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2539685 ACOOAEDFQKSZTC-IDYLKPADSA-N 548.342 2.134 0 40 KEAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 59852284 BYWAATLUQRMDBR-UHFFFAOYSA-N 535.688 2.131 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(OC)cc3)c2=O)=C(C(=O)OC(C)C)[C@@H]1c1ccc(OC)cc1 97968566 QSHOVOSIKPNDHC-ONQWYEKWSA-N 550.633 2.346 0 40 KEAB COc1ccc(CCN2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)C2=O)cc1OC 102922162 KHGYZIXDSMYYHQ-MRXNPFEDSA-N 528.052 2.095 0 40 KEAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)C1 222626270 STGFIFOHIXYCIP-MRXNPFEDSA-N 513.613 2.432 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)C2CCCCC2)cc1OC 226013105 XHZSAUWLSAGSHE-UHFFFAOYSA-N 553.703 2.430 0 40 KEAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCCCN1CCOCC1 408624926 VYAPXIRRDIPUCV-UHFFFAOYSA-N 510.454 2.479 0 40 KEAB COc1cccc(-c2ccc3c(c2)OCCC2(CCN(Cc4cncnc4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 1548889928 MGYIMUUENAKGHO-RSXGOPAZSA-N 593.706 2.210 0 40 KEAB COC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1 13141763 FIWWMSBGJGICNO-UHFFFAOYSA-N 506.581 2.419 0 40 KEAB Nc1cnn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)n1 70664746 BNYBUTCVPIZYGY-MJTJJFPGSA-N 556.531 2.426 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 170621330 RNTZZLCNXJPCLR-RULDIGERSA-N 616.572 2.051 0 40 KEAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)Oc3ccccc32)cc1 224222269 JSXCZJTWNNHCIH-VWLOTQADSA-N 559.666 2.397 0 40 KEAB CC(=O)N1CCC(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)CC1 257279019 OEQOGYZURFVACU-URXFXBBRSA-N 505.059 2.359 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 409150605 CMIIAAIRUXVPCP-YLKQWKBVSA-N 651.738 2.452 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCN(C)C)cc2)C[C@](O)(COc2cc(F)cc(F)c2)C1 585280445 NQAOFOMTRBCUPE-AREMUKBSSA-N 507.578 2.006 0 40 KEAB Cc1noc(C)c1S(=O)(=O)N1CCN2CC(=O)Nc3cc(-c4cccnc4F)ccc3OC[C@H]2C1 1772594544 KIJQNJWVTFAVKB-QGZVFWFLSA-N 501.540 2.199 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)o1 888716 CYYNJBDXZLPTFX-YCRNBWNJSA-N 512.567 2.187 0 40 KEAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c1 8693922 DDKFAVKGMBDLLF-UHFFFAOYSA-N 557.650 2.479 0 40 KEAB aggregator Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 19940997 COPFSWJPTBEOOB-DVECYGJZSA-N 517.590 2.451 0 40 KEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2F)cc1 20030725 FIWXYWKYCMIHBC-UHFFFAOYSA-N 505.593 2.289 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 224349299 SMXRYJVYXXVTBC-UHFFFAOYSA-N 521.661 2.067 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 224472752 HHCHSHLKXLRCBO-UHFFFAOYSA-N 630.583 2.207 0 40 KEAB C[C@@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 257591132 WBDDWIKJZNNKBQ-LKRFGEDHSA-N 766.966 2.492 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(C)cc43)c(=O)n2[C@H]1c1ccc(OC)cc1OC 409111244 BAHKLVXSXKQSOS-VFJWVMJUSA-N 519.579 2.446 0 40 KEAB Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 585285856 UOZOMEGAPBQVPL-AREMUKBSSA-N 502.587 2.034 0 40 KEAB CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCCNC1=O 643567184 UHHMWXOEQFALFY-ABYGYWHVSA-N 591.709 2.044 0 40 KEAB Cc1cc(C(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)nn1C 643577923 INBWONQLYBCGQA-LOSJGSFVSA-N 512.651 2.292 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 1187637 UMTTZIGMGHGZIC-VMOHIOPYSA-N 506.536 2.314 0 40 KEAB COc1cc(NC(=O)COC(=O)/C=C/c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)cc(OC)c1OC 8671432 KPKJEDBCGDJSSH-LLYBFZRZSA-N 527.983 2.425 0 40 KEAB COC(=O)C1CCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 12988733 AUNAHTDFTAGLAR-UHFFFAOYSA-N 521.419 2.349 0 40 KEAB O=C(NN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(NC(=O)c3cccnc3)C4=O)cc2C1=O)c1cccnc1 17413910 DJARWVMFDRRERI-UHFFFAOYSA-N 532.472 2.026 0 40 KEAB Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1 38139435 WXOKVBSQOMGNDJ-UHFFFAOYSA-N 546.465 2.086 0 40 KEAB CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCCO4)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 70672381 OPQDOPWWBGEPER-DXKYAHCESA-N 630.599 2.441 0 40 KEAB CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O 214689186 JKIJVFWGUVYGOE-MHWRWJLKSA-N 513.366 2.286 0 40 KEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1ccc2c(c1)OCCO2 216431652 UONAZKRBXDTABP-UHFFFAOYSA-N 547.615 2.152 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 224331334 MPXLHABFDCNQPH-UHFFFAOYSA-N 549.593 2.451 0 40 KEAB O=C1N[C@H](C(=O)NCCc2ccc(F)cc2)CC(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc21 643576520 OIPDRSVMAFOOEJ-OIFRRMEBSA-N 657.743 2.290 0 40 KEAB COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C4CCCC4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1 1534612571 IQYOHWYJZRMMDO-PWWKTKHKSA-N 501.649 2.321 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]2(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@]2(C)C(C)(C)[C@@H](O)CC[C@]12C 2060993408 TVRLHHLEYWZZGK-NYJFWGMBSA-N 785.025 2.149 0 40 KEAB COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)c1 12715005 HAEWVYMYPYRHLQ-OXJNMPFZSA-N 513.576 2.418 0 40 KEAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 59838760 YDKKANHDDBIQMM-UHFFFAOYSA-N 586.132 2.477 0 40 KEAB COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCOCC1 60028861 ILTUHPMMNHNRRO-UHFFFAOYSA-N 537.660 2.284 0 40 KEAB CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70706094 QXJHKOPEADJZIO-NXCFDTQHSA-N 556.619 2.427 0 40 KEAB biogenic CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)O)C(C)C 70706354 TUYUARLXNQWHBX-VAFVZNMKSA-N 522.602 2.230 0 40 KEAB biogenic CCOC(=O)C1=C(N)n2c(s/c(=C/c3cccc(OC)c3)c2=O)=C(C(=O)OC(C)C)[C@@H]1c1cccc(OC)c1 97968572 YDSZDSBVFMOZDF-QJUACMODSA-N 550.633 2.346 0 40 KEAB O=C(NCCCO)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223150148 POSPJYYIPOMWSZ-GDLZYMKVSA-N 613.708 2.364 0 40 KEAB C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C)O[C@H]2O[C@@H]2C[C@H](O)CC3=CC[C@H]4[C@@H]5C[C@@H]6O[C@]7(CC[C@@H](C)CO7)[C@@H](C)[C@@H]6[C@@]5(C)CC[C@@H]4[C@]32C)[C@H](O)[C@H](O)[C@H]1O 255993347 OWGURJWJHWYCIQ-ARYYCXCDSA-N 722.913 2.388 0 40 KEAB Cc1cc2nc(C)n(CC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c(N)ncnc53)CO4)c2cc1C 257297608 RIBHOMDIUKHAKL-QFQXNSOFSA-N 518.622 2.457 0 40 KEAB COC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2cc(Br)ccc21 409126060 LDMZTACJUZCLRF-IUXPMGMMSA-N 522.377 2.472 0 40 KEAB Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)n3n2)n1 2969176 WCDNCZDJXHFPQI-UHFFFAOYSA-N 564.697 2.432 0 40 KEAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccncc4)o3)cc2)nc(OC)n1 6142957 IDCWCARWIPTEFS-UHFFFAOYSA-N 529.560 2.470 0 40 KEAB COc1ccc(NC(=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc2ccc(OC)cc2)cc1 8429862 SOAYYDUFICWSIT-QYOOZWMWSA-N 588.566 2.008 0 40 KEAB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CCC(N)=O)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12296533 WHWHVMRMOGUQKX-VJYQMEELSA-N 531.650 2.477 0 40 KEAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1cccc(S(=O)(=O)NC)c1 12538119 SNONURUWDGGZQB-UHFFFAOYSA-N 521.592 2.024 0 40 KEAB COC(=O)c1ccc2c(=O)n(CC(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)c(S)nc2c1 32959224 GWDDTASKVBXDGS-UHFFFAOYSA-N 516.023 2.064 0 40 KEAB COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)NCc1ccccc1 59852308 FYCFCSAVPYVFJG-UHFFFAOYSA-N 559.666 2.125 0 40 KEAB O=C(Nc1cnn([C@@H]2O[C@H](CO)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)n1)c1ccccc1 70665629 UXQCBWNFMHYCKY-IGGXFAESSA-N 556.531 2.232 0 40 KEAB biogenic CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@@H]1[C@H](C[C@H]23)[C@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@]1(O)[C@@H]2OC 100153221 NWBWCXBPKTTZNQ-NPQLXAFYSA-N 584.710 2.222 0 40 KEAB CCOC(=O)c1c(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)sc2c1CCC2 103007578 ACCCSKILKCYVGF-UHFFFAOYSA-N 578.713 2.322 0 40 KEAB CC(C)N1CN([C@H](C(=O)N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)O)c2ccccc2)CSC1=S 104297987 MDXYRYAVESSDPS-YIOZNXECSA-N 508.691 2.319 0 40 KEAB CC(=O)OC[C@H](O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@@]4(O)C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@@H]3CC[C@@]12C 253595914 KULCHMMNCMFNLY-WAJVIIEMSA-N 510.624 2.274 0 40 KEAB CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643565888 RHEBHKDGZAECIT-XZOQPEGZSA-N 559.063 2.405 0 40 KEAB COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CNCCS(=O)(=O)N2CCCC[C@@H]2C)c1 643584599 GYRPPJUYMGYEPD-SKNDFENESA-N 712.951 2.027 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(C(=O)NC3(CO)CCOCC3)cc2)CC(=O)N[C@@H](CC(C)C)C1=O 643585287 VYALTNRVKDPRPU-KYJUHHDHSA-N 693.842 2.315 0 40 KEAB CCOC(=O)C1=CC2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3C1[C@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 8397539 CCYKAFXFMLGKTR-LGHURLGISA-N 530.533 2.364 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(=O)[nH]c1=O 13009447 KRUHKRZVYHWQFD-CPJLOUKISA-N 504.632 2.045 0 40 KEAB COc1ccc(/C=c2/[nH]c(=O)/c(=C\c3ccc(OC)c(Br)c3)[nH]c2=O)cc1Br 16226561 YONDZYQYJKZOOL-KAVGSWPWSA-N 508.166 2.263 0 40 KEAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 20031878 ZVTGPHLHUQAHHQ-IBGZPJMESA-N 509.625 2.327 0 40 KEAB CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@@H]4N(C)C3)(C(C)C)C(=O)N12 105284878 YDOTUXAWKBPQJW-KXWILECKSA-N 575.710 2.430 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 224485341 HWXJWNAWTCRAPE-DEOSSOPVSA-N 553.703 2.064 0 40 KEAB COc1cccc(N(CCCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)S(C)(=O)=O)c1 225361864 AFABHJVCBGYVHJ-UHFFFAOYSA-N 538.692 2.125 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1 226082859 JZXOQMYHNVCSNQ-KRWDZBQOSA-N 544.493 2.253 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](n2cnc3c(Sc4ccc(C)cc4)nc(N)nc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O 248042671 VJKAWCGXGIQVPS-FUOQNJDISA-N 515.548 2.192 0 40 KEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)N1CCCCC1 408693520 YKPCQINSXFKTOQ-UHFFFAOYSA-N 523.633 2.143 0 40 KEAB CC(C)N1CCCN(S(C)(=O)=O)c2cc(Cl)ccc2CN(C(=O)c2cnc(N3CCOCC3)nc2)CC1 643556544 MSDSDACOOYSGKI-UHFFFAOYSA-N 551.113 2.489 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccccc2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O 643580740 SNHFYNQURWAUAE-NSOVKSMOSA-N 602.688 2.387 0 40 KEAB CCSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(F)cc1 9369072 ZOVCNCIFZWQMKQ-UHFFFAOYSA-N 505.597 2.469 0 40 KEAB CS(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccc(Cl)c(Cl)c1 59838095 JDTHUUXLLHLGFU-UHFFFAOYSA-N 550.486 2.092 0 40 KEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1C(=O)N1CCOCC1 60028293 KBUWXRPKYKIGND-UHFFFAOYSA-N 532.600 2.164 0 40 KEAB Cc1ccc(C)c(Cn2nnc3c(O)nc(C4CCN(S(=O)(=O)c5ccc(-n6cnnn6)c(C)c5)CC4)nc32)c1 100445836 YZKZJMVXCLRTPM-UHFFFAOYSA-N 560.644 2.444 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 224530349 BYMDZGHMLXZGIE-OAQYLSRUSA-N 521.636 2.422 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225027705 BMVVSBUTLQEWTN-GOSISDBHSA-N 519.620 2.176 0 40 KEAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1)c1ccccc1Cl 225751000 AEBCNIZNWQVADO-UHFFFAOYSA-N 544.036 2.266 0 40 KEAB Nc1nc(C(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cs1 643578387 UZNPCNWRLFSFCP-FCHUYYIVSA-N 516.664 2.289 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 2773429 OAWZKGAXHDSTMB-NYIUWGNGSA-N 538.578 2.279 0 40 KEAB CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 35454647 HUSISCNTLUEZCN-FMTXTKRSSA-N 514.656 2.297 0 40 KEAB biogenic,in-vitro CCN1C(=O)/C(=c2\sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)c2ccccc21 97970766 RPGAIMGPAHMXGE-PBBVHMLESA-N 550.644 2.355 0 40 KEAB O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5)c4n3)CC2)cc1)N1CCCC1 100446584 ISXGBLIATJFSSI-UHFFFAOYSA-N 583.696 2.328 0 40 KEAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCCCO5)C3=O)cc2)C[C@@H](C)O1 102911049 OOGUZDXXRMUGQB-DLEQGYHRSA-N 572.640 2.052 0 40 KEAB O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 103128758 UNMOHLPSICRXIB-NDEPHWFRSA-N 548.621 2.336 0 40 KEAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2O1 222711736 CMVCJLOXNPFAAG-AREMUKBSSA-N 551.621 2.197 0 40 KEAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1 408695965 WZOZLJZWLLFKMN-UHFFFAOYSA-N 521.661 2.196 0 40 KEAB CN1CCC(N2CC(=O)N3CC[C@@H](CC(=O)N4CCOCC4)[C@@H](C=CCOc4ccccc4C2)C3)CC1 958317838 RNVWSLPDKBZZGH-ZEQRLZLVSA-N 510.679 2.245 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C 6547058 OLSIULMTMNUKHI-NRFANRHFSA-N 525.587 2.214 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(=O)[nH]c1=O 15323897 VYUKLTOLGPMTCU-UHFFFAOYSA-N 523.631 2.148 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(F)c(Cl)c1 22522843 ISKGRZUKGIEBBD-UHFFFAOYSA-N 513.960 2.475 0 40 KEAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccc(OC(F)F)c(OC)c3)c(=O)n12 35982202 GNWJSWHLZQCMAD-ZMRCGGPDSA-N 502.495 2.469 0 40 KEAB COc1cc(OC)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)c1 38145717 HCGRFFALBHNVFR-BTYIYWSLSA-N 543.602 2.426 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)O)C(C)C 70706352 TUYUARLXNQWHBX-LUGPXAIHSA-N 522.602 2.230 0 40 KEAB biogenic CCOC(=O)c1c(NC(=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)sc2c1CCCC2 100084827 VBXTZRIJUOTCTN-QMMLZNLJSA-N 541.575 2.100 0 40 KEAB C[C@@]12C=C[C@@]3(O1)[C@@H](C(=O)NCc1ccccc1)N(C[C@@H]1CCCO1)C(=O)[C@@H]3[C@@H]2C(=O)NC1CCCCC1 100431065 ARXFALKOVCPKLM-JEHBBUEXSA-N 507.631 2.471 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 224203619 MSIRZLGTFMTIMZ-UHFFFAOYSA-N 535.619 2.467 0 40 KEAB CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c(Cl)c2Cl)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 253476098 ZFDNZWACMUUPOO-LBCCXEDWSA-N 566.368 2.196 0 40 KEAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408705095 YBQFOTMEMSQKGR-KRWDZBQOSA-N 523.633 2.426 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409038152 UVEUGOGBAAHDOT-AOLPSBPOSA-N 552.605 2.454 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCCN3CCCC3=O)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1 585281881 RXFYAISTNJOZNL-HKBQPEDESA-N 569.699 2.496 0 40 KEAB CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccccc2)CCC(=O)N(C)CC(=O)N1 643578730 OMLLJEZYNCIDQP-BJKOFHAPSA-N 522.646 2.306 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 685334 DTBCDNZRUGLABZ-OFVJEAJMSA-N 522.627 2.152 0 40 KEAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1OC 3329220 ZRCKWXFRFFYPDE-FPYGCLRLSA-N 531.008 2.150 0 40 KEAB O=S(=O)(c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1)N1CCCC1 12487707 FQOFUAYHFTVQAL-UHFFFAOYSA-N 510.663 2.301 0 40 KEAB COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 13085325 RPZVEZDLKJBCJK-JOCHJYFZSA-N 513.591 2.189 0 40 KEAB CCOC(=O)[C@H](CCc1ccccc1)N[C@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)O 22000473 WEPXGLCNGPXOQG-HSALFYBXSA-N 529.556 2.434 0 40 KEAB CCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NC(C)C)c2=O)cc1 35427904 BYLRCULLANZXMT-UHFFFAOYSA-N 510.591 2.283 0 40 KEAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Cl 59838324 KMUQUZSABITGMN-NRFANRHFSA-N 538.047 2.202 0 40 KEAB CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222703370 SJEOWJIFNOJRAM-HSZRJFAPSA-N 561.701 2.435 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 224225113 BDZIJLSJZNGJKG-UHFFFAOYSA-N 511.666 2.196 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 224586153 VYLCOCMWUWLWSP-NRFANRHFSA-N 508.616 2.391 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409049758 ZZSRCGLDGPQNFP-GVEDRGFISA-N 654.694 2.309 0 40 KEAB CC1(C)NC(=O)C[C@@H](C(=O)NCCN2CCCCCC2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O 643567964 CCBUMGIFFJXJBM-RSXGOPAZSA-N 577.726 2.182 0 40 KEAB CCN1CC(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(C)cc2C)CC1=O 643574894 ZAZSOOYHLYTADN-DGPALRBDSA-N 671.795 2.414 0 40 KEAB CCn1cc(C(=O)N2CC[C@H]3C[C@@H]2Cn2c3cccc2=O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 1323044 FRAAUNSBDSLMFP-RBUKOAKNSA-N 505.594 2.476 0 40 KEAB biogenic COCCNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 6904923 AAFRQIKTQYLVMC-OAQYLSRUSA-N 522.587 2.465 0 40 KEAB CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)CC1 20533409 ZPOHUAXVMYOTQW-UHFFFAOYSA-N 509.394 2.063 0 40 KEAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)S(C)(=O)=O 100088865 BMRVJUYMQGTPQX-KRWDZBQOSA-N 530.068 2.345 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224530588 GFBMQMZMTIWPEL-OAQYLSRUSA-N 521.636 2.422 0 40 KEAB COc1cc(N(C(C)=O)[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)c2c(C)cc(C)nc12 247947316 WUWCIEXADCZGCN-DNQXJSMESA-N 604.609 2.305 0 40 KEAB biogenic,in-vitro CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 253389150 YOSRLTNUOCHBEA-PSPVBTGXSA-N 794.976 2.409 0 40 KEAB biogenic,in-vitro C[C@]1(O)COC2(CCN(C(=O)c3ccc4nc(C(F)(F)F)[nH]c4c3)CC2)C[C@@H]1n1ccc(O)nc1=O 257290489 QDDXKVJFOCRFRA-KKSFZXQISA-N 507.469 2.231 0 40 KEAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCS(=O)(=O)N(C)C)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 524730661 RSWFGZIEQPNPIR-CUNXSJBXSA-N 618.753 2.307 0 40 KEAB biogenic Cn1cc(-c2ccc3c(c2)OCCC2(CCN(Cc4ccccc4F)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 1548891113 WUGXCSXIJYLAPV-NOZRDPDXSA-N 583.686 2.284 0 40 KEAB Cn1c(N)c(C(=O)CSc2nc3sc4c(c3c(=O)n2CCc2ccccc2)CCC4)c(=O)n(C)c1=O 3373074 INJSSAUBRGLTQC-UHFFFAOYSA-N 523.640 2.144 0 40 KEAB COc1cc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc(NC(=O)c2cccs2)c1OC 12539236 YPXDJITVXQCVFI-UHFFFAOYSA-N 519.557 2.461 0 40 KEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)Cc2ccc(Br)cc2)cc1 408626438 YWQPNWVAXLBNAN-UHFFFAOYSA-N 510.454 2.397 0 40 KEAB COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3)CC2=O)c1 408662045 WWPDLEBBKZAWNV-HNNXBMFYSA-N 534.363 2.450 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N[C@H]2CCCOC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643584457 AXMRSNGTNNZHEB-RNXOBYDBSA-N 564.683 2.219 0 40 KEAB CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)NCCc2ccccc2)C1 9475094 MNFHYUAGPVWNDD-UHFFFAOYSA-N 502.596 2.477 0 40 KEAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 12700570 WHDULVGXCWLIPA-UHFFFAOYSA-N 517.551 2.392 0 40 KEAB CCOC(=O)CN(CCN(CC(=O)OCC)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 68604352 KBELYFHVJKITID-UHFFFAOYSA-N 540.660 2.111 0 40 KEAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)c(Cl)c1 222836135 DYKOVURWQUQVDH-UHFFFAOYSA-N 510.012 2.447 0 40 KEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 224524172 GGAWRVJPLHIGNC-UHFFFAOYSA-N 511.622 2.138 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 408990014 UWVFKOKISFXEJC-LWRBDHNKSA-N 568.604 2.288 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(F)cc2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O 643569180 ZHJNVKYUDBVQNC-SVBPBHIXSA-N 590.652 2.347 0 40 KEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1 16035554 VSXSINUPFVSHRO-DEOSSOPVSA-N 500.577 2.276 0 40 KEAB CCOC(=O)C1=C(N)C(C(=O)OCC)=c2s/c(=C/c3ccccc3F)c(=O)n2[C@@H]1c1ccccc1F 20459078 WSLCHGSGMSZOMR-MKRMIXIUSA-N 512.534 2.110 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70701083 MOACEERMVFCHBM-SZOBAZRNSA-N 520.586 2.080 0 40 KEAB biogenic O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CCCN1CCN(CCCN2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)CC1 97951101 QJTUCZXIWMBYSY-ZDNVTZCJSA-N 537.488 2.420 0 40 KEAB COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(=O)N3)cc1OC 100148461 MIGCGNWBIKGDLI-DEOSSOPVSA-N 532.475 2.245 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224460183 UMSIFUWLXYRMFC-UHFFFAOYSA-N 565.714 2.389 0 40 KEAB CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC)c1ccc2c(c1)OCO2 260762611 QTMZBCCSFLANPX-OAHLLOKOSA-N 540.436 2.497 0 40 KEAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)CCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 24764378 GHRLPDUCFZFDCZ-SFHVURJKSA-N 515.611 2.423 0 40 KEAB NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1N 38145023 DYJJFPSUVYVPTC-RXVVDRJESA-N 527.578 2.348 0 40 KEAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@H]23)cc(OC)c1O 101175183 QCROTELSISKDDD-UWXYSHLSSA-N 546.623 2.497 0 40 KEAB CC[C@H](C)[C@H](NC(=O)CN1CCOCCOCCN(CC(=O)N[C@@H](C(=O)OC(C)(C)C)[C@H](C)CC)CCOCCOCC1)C(=O)OC(C)(C)C 150471674 GIFHUXADCDHOSA-WVKQWSHJSA-N 716.958 2.416 0 40 KEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 224220169 ZWTYWGBNTHYDNR-JOCHJYFZSA-N 538.692 2.123 0 40 KEAB O=C(COc1ccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)cc1)Nc1ccc(Br)cc1 408580537 REZBGQYUAMZALR-GOSISDBHSA-N 545.434 2.268 0 40 KEAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C4\C(=O)Nc5ccccc54)c(=O)n32)cc1OCC 408932728 DSOBOMLFGOJYHU-AGGMBTAESA-N 505.552 2.138 0 40 KEAB O=C(O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1I 409128873 LDHFFRSLINGYNR-YCRREMRBSA-N 589.101 2.480 0 40 KEAB O=C(CN(Cc1ccccc1)[C@@H]1C=CS(=O)(=O)C1)CN(Cc1ccccc1)[C@@H]1C=CS(=O)(=O)C1 575424090 RYBNYNFACSPPPC-DNQXCXABSA-N 500.642 2.181 0 40 KEAB CC/C(C)=C/CC[C@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@@H]1[C@@H]2C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H]2C(C)(C)[C@H](O)CC[C@@]21C 584567060 QOVKKEKBURQILF-LKPKLSGCSA-N 785.025 2.147 0 40 KEAB COc1cccc(N2CCN([C@@H](c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C[C@H]3CCCO3)CC2)c1 6176945 KTLCUOHYNOTDNP-RLWLMLJZSA-N 545.600 2.343 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NCc3ccccc3)c3ccncc3)n2)o1 6281152 RPLLMAVOTFSWIQ-HHHXNRCGSA-N 558.643 2.245 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(Cl)c1 19818635 KWOGLKKDVZRRNS-NRFANRHFSA-N 504.418 2.471 0 40 KEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1 20674979 KHFDURLZQBPPSJ-YADHBBJMSA-N 514.554 2.380 0 40 KEAB O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(C[C@@H](O)COC[C@@H]2COc3ccccc3O2)CC1 22914695 NYZDWHKNLSAHAP-DHIUTWEWSA-N 531.609 2.271 0 40 KEAB O=C(c1ccccc1)N1CCN(C[C@@H](O)COc2ccc(OC[C@H](O)CN3CCN(C(=O)c4ccccc4)CC3)cc2)CC1 98050594 RBYBEOWVHIHZLA-LOYHVIPDSA-N 602.732 2.082 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCc3ccccc3)c3ccc4c(c3)OCCO4)n2)cc1OC 100290085 FXHBAHFYVZKDSY-UHFFFAOYSA-N 544.568 2.478 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)c(N)n(Cc2ccccc2)c1=O 103076827 MNXANCDOSLHKGC-UHFFFAOYSA-N 555.543 2.084 0 40 KEAB CS(=O)(=O)c1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CCC[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 253400620 LLPDSFRTKXEVLW-HWBMXIPRSA-N 541.670 2.253 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 409168372 LWIFWISKBFOIAL-WWFXOLRUSA-N 595.649 2.184 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)N4CCOCC4)c(Br)c3)C2=O)o1 409400306 OCDXHFQEGLFMCK-BOPFTXTBSA-N 548.346 2.159 0 40 KEAB COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nc3ccc(C)cc3[nH]2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1 643913316 QPPYAWCPRYRGSO-CBFLWWMCSA-N 594.775 2.229 0 40 KEAB Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1N[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O 5741612 GHFJZNGBIKFXKG-NXWXRZEISA-N 541.196 2.070 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 8399819 SYJURCORJQPLMF-VGBYGFDOSA-N 522.627 2.152 0 40 KEAB CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](C(=O)O)[C@@H](C)O 12885304 BRXJCHCIHOYONE-GIVPXCGWSA-N 519.639 2.436 0 40 KEAB biogenic CCN(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 97982452 OBFKNTQRNKPFMC-UHFFFAOYSA-N 570.027 2.361 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 100262692 OAWZKGAXHDSTMB-YXFINDDBSA-N 538.578 2.279 0 40 KEAB CCCCOCCOCCOCCOCCOC[C@@H](O)COCCOCCOCCOCCCC 100925315 BRRJWFQCONDZRA-VWLOTQADSA-N 512.681 2.097 0 40 KEAB CCn1cc(C(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 103071452 WVSMLPAZDRQNRV-JTSKRJEESA-N 557.623 2.390 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224227850 GHOYKJPBWNFITR-UHFFFAOYSA-N 539.676 2.319 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409105119 JFVBJLQEVRKWEL-KMBIYUNPSA-N 575.691 2.311 0 40 KEAB CC(C)OC[C@H](O)CNC(=O)CN1CCCCCCOc2ccccc2N(CC(=O)NC[C@@H](O)COC(C)C)c2cncc(c2)C1=O 643585225 TWPRSDMFHYJIIH-FQLXRVMXSA-N 657.809 2.419 0 40 KEAB Cn1cc(NC(=O)CN2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)cn1 1615126208 JWORCSWEUYVAED-DMTNHVFBSA-N 548.688 2.040 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)Nc1ccc3c(c1)OCO3)n2C 2629809 WBBOMUMTUAREBF-UHFFFAOYSA-N 516.576 2.447 0 40 KEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc2)no1 3215918 LBIWZSLHTYOFNW-UHFFFAOYSA-N 520.589 2.365 0 40 KEAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 3275499 BMWSHHMNHKWYDR-UHFFFAOYSA-N 513.355 2.467 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(CCc1ccccc1C)C(=O)c1snc(C(N)=O)c1N 6546637 AOBHRURZGJIMED-JOCHJYFZSA-N 541.605 2.377 0 40 KEAB COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC 6905118 ZMLYRVZRPGUYLA-NRFANRHFSA-N 543.602 2.001 0 40 KEAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 13523818 GHKZMPUNNCAOLY-UHFFFAOYSA-N 522.656 2.361 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 19818650 GHQJVKGAVSGWPW-NRFANRHFSA-N 503.525 2.183 0 40 KEAB C[C@@H](NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1)c1ccc(S(N)(=O)=O)cc1 38140456 FPFRNHJWBOUVPR-FOIQADDNSA-N 529.644 2.247 0 40 KEAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 59853442 LFDGXDDSYVKOJO-MRXNPFEDSA-N 532.600 2.447 0 40 KEAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O 102938318 WAHQOJJQCYYNCB-IZZDOVSWSA-N 535.644 2.240 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1Cl 108973111 HJPOTUCBYSYDDO-UHFFFAOYSA-N 522.432 2.419 0 40 KEAB N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(C/C=C/C[C@H]2C1)CCOCC3 257337379 YSOFKBPOCFHDNJ-DMIODFRQSA-N 574.722 2.470 0 40 KEAB CC(C)(CNC(=O)[C@@H]1CC(=O)N[C@@H](CO)C(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1)c1ccc(F)cc1 643568483 TXDHZPHHXYCMDB-STXQHDJLSA-N 604.679 2.005 0 40 KEAB CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCC2CC2)CCC(=O)NC2(CCCCC2)C(=O)N1 643572204 SMOFPGUUKSIYIA-VXKWHMMOSA-N 512.651 2.444 0 40 KEAB COCC(=O)N1C[C@H](CC(C)C)N(C(=O)Cc2ccc(Cl)cc2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1 643586358 UULUECMLRHNBJL-ZOJNDGCKSA-N 543.101 2.148 0 40 KEAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)Nc1ccc(Br)cc1 3228616 HAYYFMCZCYSRLS-UHFFFAOYSA-N 501.330 2.405 0 40 KEAB CC1(C)CN=C(N2CCN(C[C@H](O)COc3ccc(OC[C@@H](O)CN4CCN(C5=NCC(C)(C)S5)CC4)cc3)CC2)S1 6232505 KPTLJHVHNWSGKQ-ZEQRLZLVSA-N 620.886 2.164 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)o1 12716828 SVWIVWPCVNQXMN-SPEDKVCISA-N 514.608 2.347 0 40 KEAB COc1ccc([C@@H](CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)N2CCOCC2)cc1 32969178 YHTAWLDNQYMTJE-OAQYLSRUSA-N 526.453 2.316 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 70672461 NNWAGEQDNUVUNB-RKJAVHAZSA-N 558.536 2.280 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)CC2)cc1 70687434 MHBXTHBKUXLDGM-DQEYMECFSA-N 559.685 2.444 0 40 KEAB biogenic O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 96022515 IWTMEQUUSYTBES-UHFFFAOYSA-N 620.731 2.295 0 40 KEAB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)[C@H]1C(c1ccncc1)[C@H]1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 100218208 UZENZWKGKZRRLJ-PMACEKPBSA-N 533.447 2.242 0 40 KEAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 103105036 HAJRUNRAJSFIQZ-UHFFFAOYSA-N 565.670 2.068 0 40 KEAB Cn1c(N)c(C(=O)CSC2=N/C(=C/c3ccco3)C(=O)N2c2ccc(OC(F)F)cc2)c(=O)n(C)c1=O 103129331 PTIGFHIYFCVAJQ-XNTDXEJSSA-N 531.497 2.220 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@@H]2C[C@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@]1(O)[C@@H]2OC 169298128 NWBWCXBPKTTZNQ-JULXZTOHSA-N 584.710 2.222 0 40 KEAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(=O)(=O)N(C)C)c1 216455185 JLLBBHJGQGBOAO-UHFFFAOYSA-N 532.648 2.454 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 223403100 FMEOVVIZSRFZPD-QFIPXVFZSA-N 504.653 2.478 0 40 KEAB NC(=O)C1CCN(C(=O)CN2[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N[C@H]3CCCC[C@H]32)CC1 250748712 NAZFUABUFZOVAW-XUVXKRRUSA-N 524.449 2.158 0 40 KEAB COc1c([C@@H](O)CC(C)C)ccc(Oc2c(O)cc(C)cc2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1C(=O)O 253398206 GSOMKADVURIZLA-IIOGJQHGSA-N 522.547 2.235 0 40 KEAB biogenic,in-vitro CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC=C4[C@@H](C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)C4(C)C)[C@]3(C)CC[C@]2(C)[C@@H]1[C@@](C)(O)C(=O)CCC(C)(C)O 253501029 VJWYQRXPCZNDKS-CDTLWJTHSA-N 710.902 2.160 0 40 KEAB biogenic,in-vitro CC(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@]2(CCC(=O)OC2)[C@]2(C[C@]3(C)[C@H](C)[C@@H]4C(=O)O[C@@]5(C)O[C@@]3(O[C@@H]45)O2)[C@H]1C 1772591691 LISOTTMZWIFJFJ-FBRGDTNFSA-N 522.591 2.442 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)CCn4nc(C)c(Br)c4C)[C@H]3SC2)s1 2786101 GRQGINJLBIEVPX-WMLDXEAASA-N 573.520 2.343 0 40 KEAB Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4nc(C)cs4)nn23)cc1 8830376 DBYYTFNWHAGZCE-UHFFFAOYSA-N 503.635 2.449 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccccc1OC 13133351 PBURDTQAZNNQHP-PGGUJSHWSA-N 508.552 2.270 0 40 KEAB CCOC(=O)/C=c1\s/c(=C\c2ccc(OC)cc2OC)c(=O)n1CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 16044283 WZUFIDFJMAVUPY-YTDUNOSXSA-N 502.633 2.040 0 40 KEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 19943764 DBHJTYOIUWPXPN-DHIUTWEWSA-N 510.591 2.236 0 40 KEAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)C2CCCCC2)cc1 20031201 VAZWNJJQTBEEOF-UHFFFAOYSA-N 509.650 2.373 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 20107298 WPJSCCWEUGHBTB-UHFFFAOYSA-N 511.622 2.427 0 40 KEAB Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl 20237491 QSQWMIPWEGXOJJ-UHFFFAOYSA-N 502.014 2.074 0 40 KEAB NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1N 38145025 DYJJFPSUVYVPTC-NQIIRXRSSA-N 527.578 2.348 0 40 KEAB Cc1cn2c(=O)c(C(=O)NC[C@H]3CCC[C@@H](CNC(=O)c4cnc5sc(C)cn5c4=O)C3)cnc2s1 97990905 RSXIVQZMSHCQJV-IYBDPMFKSA-N 526.644 2.408 0 40 KEAB COc1ccc(OC)c(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1 100471913 GALNMQWZYSKOKF-QFIPXVFZSA-N 543.617 2.198 0 40 KEAB C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 103012502 FVTZFOPRUPQXSV-MJIUFTLYSA-N 524.577 2.038 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 224255382 GCWCCWAVWPXFLE-QFIPXVFZSA-N 511.666 2.294 0 40 KEAB Cc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 225527298 LUUWNPWLGVPDFL-IBGZPJMESA-N 503.621 2.474 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409388570 MPBPLVKPGMMGDY-IUKMQXEJSA-N 591.642 2.095 0 40 KEAB O=C(CN1CCC[C@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)NCCOc1ccccc1 2037879847 UGDQDCCWISFTFH-GDLZYMKVSA-N 520.630 2.149 0 40 KEAB Cc1cccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCC4)c1 3331743 YZOZJJZDFNUTFH-UHFFFAOYSA-N 509.613 2.199 0 40 KEAB COCCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1cc(OC)c(OC)c(OC)c1 6904796 AONWMKUJVRSBNF-HXUWFJFHSA-N 549.650 2.129 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 8399808 PQKCSZJAFMCFBW-YHHBSCGTSA-N 552.653 2.160 0 40 KEAB Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 16010366 VAAIETQDVNBDGV-BKJGLDIHSA-N 501.370 2.488 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1C 20032169 NJRBYZRTDRAEOF-UHFFFAOYSA-N 523.677 2.361 0 40 KEAB CCc1ccc(-c2n[nH]c(SCC(=O)N(CCOC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)n2)cc1 38139532 SPDQUIFRDJYCPZ-UHFFFAOYSA-N 535.630 2.286 0 40 KEAB O=C(CCCn1c(SCC(=O)NC[C@H]2CCCO2)nc2cc3c(cc2c1=O)OCO3)NCc1ccc2c(c1)OCO2 102755606 ZDWHPIBGXXTPPL-GOSISDBHSA-N 582.635 2.338 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225085086 XYNNORAXXFHHFK-UHFFFAOYSA-N 507.590 2.324 0 40 KEAB CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc5c(c4)OCO5)C[C@H]3C(=O)NC[C@H]1O2 253402350 ODTLWWJPMBRYAZ-DBBYKEMSSA-N 607.708 2.264 0 40 KEAB COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1 408655150 LAKHZYDKSQPEDC-CQSZACIVSA-N 509.437 2.398 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 408979364 BYNUYGWFFWXENR-LWRBDHNKSA-N 568.604 2.288 0 40 KEAB O=C(O)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Br 575422119 LGVALJXLEPKVGK-LLVKDONJSA-N 519.233 2.254 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 9334984 SELMPVQYOROLAA-RQLGBQGVSA-N 508.552 2.351 0 40 KEAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3OC)o2)cc1 9412829 MAHVPMGTUILCHL-UHFFFAOYSA-N 520.564 2.290 0 40 KEAB COCCN(C(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38150085 NSHDUZNONMWXSP-WANOEJIPSA-N 545.036 2.268 0 40 KEAB CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 59838160 BTANAHHROLFVFV-UHFFFAOYSA-N 530.068 2.460 0 40 KEAB COc1ccc(CCNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)NCc3ccco3)c2=O)cc1OC 101330073 OBKGBNGCJRMRDX-UHFFFAOYSA-N 548.596 2.229 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)cc1OCC 102854836 SHDOKLDVKHVDMH-UHFFFAOYSA-N 537.660 2.171 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)c(=O)[nH]c1=O 103024733 BTZHVSIHELXJSV-UHFFFAOYSA-N 549.584 2.017 0 40 KEAB O=C(CN1CCN(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 103044628 SERKJRBCXVADCI-HOTGVXAUSA-N 512.916 2.393 0 40 KEAB CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O 150470864 DWIHCEZUWCRUES-SJORKVTESA-N 622.197 2.461 0 40 KEAB O=C(CCCCC(=O)OCC(=O)OCC(=O)OCc1ccccc1)OCC(=O)OCC(=O)OCc1ccccc1 201757752 ZTCAXFXEKLKEMF-UHFFFAOYSA-N 558.536 2.206 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1 260720917 VCTPNZCFDUTINW-NRFANRHFSA-N 535.688 2.239 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409039640 XAJUFTMRCQMKLZ-QDNAUZDWSA-N 580.615 2.447 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 409166949 GRIDNMCYMHUPKQ-QEYQTOMISA-N 577.659 2.045 0 40 KEAB O=C(CN(Cc1ccccc1)[C@H]1C=CS(=O)(=O)C1)CN(Cc1ccccc1)[C@@H]1C=CS(=O)(=O)C1 575424095 RYBNYNFACSPPPC-PSWAGMNNSA-N 500.642 2.181 0 40 KEAB O=C1C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccccc2)N1 643565302 BUYUZNAHPMYOOD-DQEYMECFSA-N 579.053 2.260 0 40 KEAB O=C1NC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)NC1CCCCC1)CC2 1548891111 WQEJHEDKASMEPA-RPBOFIJWSA-N 604.770 2.480 0 40 KEAB COCc1nnc(NC(=O)CN2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)s1 1615124054 CPFCPPXALOZYQP-TZRRMPRUSA-N 596.754 2.304 0 40 KEAB O=C1NCCN(C(=O)COc2ccc(Cl)cc2Cl)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164466 AXEPDCFBVWOVSR-HXUWFJFHSA-N 505.402 2.438 0 40 KEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 20674950 GUMZSJZIOAULLX-FCHUYYIVSA-N 514.554 2.380 0 40 KEAB COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1OC 38145155 RRVONYLMXOLTDR-QVKFZJNVSA-N 543.602 2.113 0 40 KEAB COc1cc2c(cc1OC)C(C[C@H]1CN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC[C@H]1CC(=O)O)=NCC2 67878717 OTBUBQFWSTUZEK-HKUYNNGSSA-N 529.615 2.340 0 40 KEAB biogenic,in-vitro COc1ccc(N([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(C)(=O)=O)cc1Cl 100074683 CQTYKGNGIJHEFC-QGZVFWFLSA-N 530.068 2.345 0 40 KEAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224434839 HJETYWXHZAAHQB-UHFFFAOYSA-N 559.666 2.098 0 40 KEAB CCC[C@H](N)C(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)CN(C(=O)c2ccccc2F)CC1 643551324 AJGRLSVSGZVTIJ-BKKFENPESA-N 539.689 2.187 0 40 KEAB CCN(CC)CCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1 643577327 UXMJSMRSFZXWKI-AFEGWXKPSA-N 723.875 2.468 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1OC 885977 MKHDMTUWFJLEMR-MUUNZHRXSA-N 595.676 2.457 0 40 KEAB CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)[C@@H]1CCS(=O)(=O)C1 13143441 DYJCGZPUUBOTGU-HXUWFJFHSA-N 520.629 2.021 0 40 KEAB COc1cc(N(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c(OC)cc1Cl 224577323 IBWQDFDGFSBZBH-UHFFFAOYSA-N 512.028 2.272 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3C[C@@H](O)[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@@H](O)[C@H]1O 256103905 JFSXBMIFXZFKHD-YNDUUOFQSA-N 520.663 2.456 0 40 KEAB biogenic,in-vitro CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](CO)CC3)cc2)C1=O 575190030 YUNQMQLWOOVHKI-WGSAOQKQSA-N 506.625 2.046 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CCC(=O)N[C@@H](Cc2ccccc2)C1=O 643569446 WJFDWPNBVRYDBE-CONSDPRKSA-N 641.769 2.292 0 40 KEAB CC[C@@H](CCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1 2060990582 PWKRIVHAEAYCHH-PZPSTTEESA-N 561.749 2.235 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)F)c(Cl)c4C)[C@H]3SC2)s1 2732812 UKYSLASHEMIDQU-MLGOLLRUSA-N 551.022 2.473 0 40 KEAB CC(=O)Oc1cc(C)cc2oc(=O)c(CC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c(C)c12 9305997 OVZALRPWRGTIBS-XMMPIXPASA-N 520.538 2.388 0 40 KEAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 59816465 UGCZQQYHSZFKTE-HSZRJFAPSA-N 575.588 2.360 0 40 KEAB COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)ccc1-n1cnnn1 100334909 BYZBRAFPKAXJQF-DWACAAAGSA-N 567.610 2.485 0 40 KEAB O=C(NC[C@H]1CCCO1)[C@H](c1ccc(F)cc1)N(CCN1CCCCC1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 100341542 GMVFPWNFFVTYGC-KCWPFWIISA-N 586.686 2.321 0 40 KEAB COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@](OC(C)=O)([C@H]([C@H](OC)[C@H]13)[C@H]4N(C)C2)[C@H]5[C@H]6OC(=O)c1ccccc1 100392700 REVYTWNGZDPRKE-GPWZBGRWSA-N 599.721 2.316 0 40 KEAB biogenic,in-vitro COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@]3(COC(=O)/C=C/c4ccc(O)cc4)O[C@H](COC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@@H]3OC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O 253476362 ALSDWGAQQGXOHC-ZQEQRCSBSA-N 956.903 2.493 0 40 KEAB biogenic,in-vitro O=S1(=O)C[C@@H](O)[C@@H](N(c2cccc(O)c2)S(=O)(=O)c2cc(Br)ccc2Br)C1 575424941 WFMKFTQAMAETMR-LSDHHAIUSA-N 541.239 2.270 0 40 KEAB CN1C(=O)[C@H](CO)NC(=O)CC[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H]1Cc1ccccc1 643569570 JWSUDMVNZDIQDE-PKXQUSJVSA-N 604.679 2.002 0 40 KEAB C[C@H](N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O 2060999646 WLEIRCQWNYWCPZ-ABPRLFSHSA-N 746.913 2.250 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 2049518 KQIAHMAJIDFFKJ-AXADVEHHSA-N 568.604 2.288 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC 6546680 JDCXIUKSKDVZBG-OAQYLSRUSA-N 559.576 2.048 0 40 KEAB CCn1cc(C(=O)N[C@@H](C)C(=O)NCCc2nc(-c3ccccc3)no2)c(=O)c2cc3c(cc21)OCO3 9184139 WLKNGURJENKKHA-HNNXBMFYSA-N 503.515 2.277 0 40 KEAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)n1 12603907 HPJKNBSEIPTOLZ-UHFFFAOYSA-N 523.681 2.320 0 40 KEAB Cc1cc(C)c2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 19940994 COPFSWJPTBEOOB-YADARESESA-N 517.590 2.451 0 40 KEAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 19941309 IBMHLTYGHNAFLR-AUSIDOKSSA-N 503.563 2.142 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1C 59838752 NYMIBCQWCKWHIV-UHFFFAOYSA-N 565.714 2.132 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 223981161 XHXODEYYFHBGLR-QGZVFWFLSA-N 507.609 2.032 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1 224261800 UYBPLHDYGBBEJW-IBGZPJMESA-N 544.095 2.327 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224316638 YSIDMLNLNRWXPM-JOCHJYFZSA-N 527.640 2.350 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C 256079325 AGBCLJAHARWNLA-QWIGREEISA-N 785.025 2.147 0 40 KEAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl)NCCCN1CCOCC1 408635792 DGSHOCUNOVUWIB-UHFFFAOYSA-N 508.040 2.304 0 40 KEAB COc1cc(CN2CC[C@](O)(CN3CCC(NC(C)=O)CC3)C2)ccc1OCCN1CCC(C)CC1 585274689 ZLRMYHSKLKNRRB-NDEPHWFRSA-N 502.700 2.343 0 40 KEAB Cc1ccc(-n2nc(C(=O)N3CCC4(CCCCOCCCNC(=O)[C@H](C)NC4=O)CC3)nc2C)cc1 643564155 PGIDNKBKKARLQQ-FQEVSTJZSA-N 510.639 2.318 0 40 KEAB CCOc1ccc(N([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(C)(=O)=O)cc1 13671192 NQFTYKFMMRGLSE-LJQANCHMSA-N 509.650 2.081 0 40 KEAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCCN(C[C@H](O)COc2ccc(C(C)=O)cc2OC)CC1 101104667 XQBHOCOOEORSOP-DQEYMECFSA-N 544.645 2.296 0 40 KEAB CCn1c(COc2ccccc2Cl)nnc1S[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O 103506797 CBDVADVIHJPHMA-SMQFJCFBSA-N 599.062 2.279 0 40 KEAB CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(N)=O 150340663 CUCSSYAUKKIDJV-FAXBSAIASA-N 951.212 2.318 0 40 KEAB in-vitro C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224333159 YIXHWKYBVVEIMK-INIZCTEOSA-N 531.603 2.099 0 40 KEAB COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1OC 408659340 SCDKOOBOKVVLBG-CQSZACIVSA-N 509.437 2.398 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409167214 HQUKLCCLWVGFPH-CCLVUABDSA-N 651.738 2.452 0 40 KEAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)[C@H]21 604404573 DQXCURBKBYZFFU-WMUWJOOSSA-N 583.645 2.216 0 40 KEAB biogenic COc1cccc(OCC(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)c1 643578902 KWQGRCJJHGZAIQ-RRPNLBNLSA-N 555.672 2.419 0 40 KEAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1ccc(N2CCOCC2)cc1 8687893 UOBPZFOFEWZPQK-XCVCLJGOSA-N 516.645 2.071 0 40 KEAB O=C(CN(C1CCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1 13497013 AVQDDBDNKXZOEZ-UHFFFAOYSA-N 507.634 2.280 0 40 KEAB O=C(O)/C=C/C(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 13773637 KHASLEHJBLISQP-KXPUMZMLSA-N 501.289 2.479 0 40 KEAB Cc1ccc([C@@H](C(=O)NCc2ccco2)N(CCN2CCOCC2)C(=O)CNC(=O)c2ccco2)cc1 20150306 MHXUGRJLEWAXKE-VWLOTQADSA-N 508.575 2.129 0 40 KEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1ccc(O)c(OCC)c1 20674881 ANIKGQGDZAUMTM-RPWUZVMVSA-N 524.574 2.044 0 40 KEAB C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 70707522 LAPPJCVHLTXWJL-ATANMQQVSA-N 567.602 2.272 0 40 KEAB biogenic COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 97980206 YHUIJGSJSMLZBK-HKWRFOASSA-N 558.638 2.122 0 40 KEAB CC(=O)O[C@H](C(=O)Nc1ccc(F)cc1)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccc(F)cc1 102565017 HYVFXXNGZULTPQ-WAPCQROESA-N 564.494 2.269 0 40 KEAB CCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1 102921237 NLBJQXRMENLADI-UHFFFAOYSA-N 538.070 2.355 0 40 KEAB COCCNS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)c(Cl)c1 222833887 WMEGAOLYWAXZDF-UHFFFAOYSA-N 517.000 2.328 0 40 KEAB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224501385 MBIMLVAESRHOLS-LJQANCHMSA-N 503.621 2.413 0 40 KEAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc21 643583878 DZUZJAVQNZJDQI-UHFFFAOYSA-N 516.664 2.340 0 40 KEAB Cc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(I)cc1)CN=3)C(=O)N2 2261169 DPCNDYKXVSLXRC-MSUUIHNZSA-N 502.337 2.029 0 40 KEAB CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O 4091730 KRYSUQDOIQABRV-IZLXSDGUSA-N 631.730 2.147 0 40 KEAB COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(O)cc1 12474067 KTYKMUFIXXHDDE-IERDGZPVSA-N 525.587 2.222 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 103017010 GLWTZROBBSLRCC-UHFFFAOYSA-N 551.672 2.473 0 40 KEAB COC(=O)C1=C2[C@]3(O)C[C@@H]4C[C@@H]5[C@@H]3CC[C@H](C)N5[C@@]24[C@@H]2CC[C@H](O)[C@H](OC)[C@@H]2[C@@H]1OC(=O)c1ccccc1 104329516 QERMOAWMXXPSEU-GMBSQNPJSA-N 523.626 2.474 0 40 KEAB CC1(C)CC[C@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 257534857 RROGHRHLBLVQSG-OPOKXYACSA-N 766.966 2.494 0 40 KEAB biogenic,in-vitro COC(=O)c1cc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc(C(=O)OC)c1 408619304 LOMGPTTYEIUMOX-UHFFFAOYSA-N 546.339 2.269 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408985655 OHLLZZJDTHUUKF-KGONEIDKSA-N 568.604 2.288 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 642883054 VOWJAFYNABYJKY-DWCSJBQFSA-N 785.025 2.149 0 40 KEAB CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)NC(=O)c2ccccc2OCCNC1=O 643564390 KMAZPRVSJANLKR-IMSLKBPPSA-N 526.678 2.403 0 40 KEAB Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 1368715 UFEAYRANYMNKBY-UHFFFAOYSA-N 515.617 2.404 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6547015 VYAOGGVFVBOWES-IBGZPJMESA-N 517.514 2.170 0 40 KEAB COCCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1cc(OC)c(OC)c(OC)c1 6904782 AONWMKUJVRSBNF-FQEVSTJZSA-N 549.650 2.129 0 40 KEAB Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(=O)n(-c2ccccc2)n1C 13114451 OLJABCADZFYTOJ-UHFFFAOYSA-N 510.041 2.144 0 40 KEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1C 16044015 TWPSAPNDAMUMDM-QGZVFWFLSA-N 516.547 2.483 0 40 KEAB C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)C3CCC3)nc1[C@H]2CC(=O)NCCN1CCOCC1 20504775 XAMMJJHYJNHMPV-BWSFKYGTSA-N 534.723 2.136 0 40 KEAB biogenic,in-vitro CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)Oc2ccccc21 30867000 NQGRZZXLGFIAQI-FQEVSTJZSA-N 517.589 2.142 0 40 KEAB O=C(COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Br)N1CCOCC1 35175647 XJRWFLDEMMHONY-UNOMPAQXSA-N 500.374 2.457 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@H](C)Cn4nc(C)c(Cl)c4C)[C@H]3SC2)s1 97947831 AOCKKLGPVFUIDD-DBASEOGUSA-N 543.096 2.480 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 222841174 AISBEXUQQQOWGZ-OAHLLOKOSA-N 512.426 2.387 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 224349538 ILFVLPIMDRTZSG-UHFFFAOYSA-N 551.687 2.076 0 40 KEAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 225550866 WIBKVOVNPRCPNR-SFHVURJKSA-N 512.053 2.274 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccc(C)cc3)CC2)C[C@@](O)(COc2cccc(F)c2F)C1 585287796 SAUOGZZORDWHET-NDEPHWFRSA-N 533.616 2.205 0 40 KEAB CN(C)S(=O)(=O)N1CCC2(CC=CCOc3ccccc3C(=O)NC[C@@H](Cc3ccccc3)NC2=O)CC1 2037844022 KYQZWIVDMRHHDC-HSZRJFAPSA-N 540.686 2.371 0 40 KEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)no1 3262413 KNQPKEVBCQQNTM-UHFFFAOYSA-N 523.618 2.161 0 40 KEAB CCn1c(=O)c(C(=O)CN(C)CC(=O)Nc2ccccc2Br)c(N)n(Cc2ccccc2)c1=O 3384775 ZTWYUJGVJSOCOT-UHFFFAOYSA-N 528.407 2.176 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 6547119 GMNWDIPXUDDNQV-NRFANRHFSA-N 525.587 2.209 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 6601371 JXHVJWAQQCJZBA-NRFANRHFSA-N 525.587 2.290 0 40 KEAB CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)CNC(=O)c1sc3ccccc3c1Cl)C2=O 14672562 JDNJABXGRZDMBY-UHFFFAOYSA-N 506.968 2.360 0 40 KEAB C[C@@H](c1nnc(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)n1C)N1C(=O)COc2ccccc21 15019105 RNEXXUCDGFGGGD-AWEZNQCLSA-N 507.576 2.223 0 40 KEAB CC(=O)N[C@H]1[C@H](Sc2nnc(-c3ccccc3)n2C(C)C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70712162 CFCDMXJJJIXQRY-MOGNJTFLSA-N 548.618 2.274 0 40 KEAB biogenic O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc2c(c1)OCO2)Cc1nnnn1C[C@@H]1CCCO1)OCCO3 100368808 QMNFELVFZNBGMR-FQEVSTJZSA-N 532.557 2.396 0 40 KEAB COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2cc(S(N)(=O)=O)ccc21 100876794 HQMLFMRSBADWFQ-LCUIJRPUSA-N 574.662 2.089 0 40 KEAB COc1cc(C(=O)NC(=S)NC[C@H](C)NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 102928483 XAIKVCCLEDPUES-ZDUSSCGKSA-N 580.685 2.036 0 40 KEAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(OC)c(OC)c3)C2)cc1 408659344 SCTQJYYQPDCKGQ-LJQANCHMSA-N 541.557 2.336 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409032023 ILVOUGVXUTVZNL-MXODWQRISA-N 706.799 2.381 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409388658 NBPNBTXOPUORSX-NXLSWJSLSA-N 561.616 2.087 0 40 KEAB CO[C@@]12O[C@@]3(C)CC[C@@H](OC(=O)[C@@H]1[C@@H]1[C@@H]4[C@H](C[C@H]13)C(C(=O)O)=C[C@@H]1[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H]14)[C@H]2C 514287939 LFQXXBVNHBMYJD-CASJNDAESA-N 504.576 2.157 0 40 KEAB biogenic,in-vitro CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN2CCCC2)CCC(=O)N2CCC[C@@H]2C(=O)N1 643571005 QTLMYBXKVJIPOA-ISJGIBHGSA-N 555.720 2.082 0 40 KEAB CS(=O)(=O)Nc1ccn(CCNC(=O)c2cccc3c2CN(Cc2ccccc2)CC(=O)NCCCCCO3)n1 643573578 RIUWWKHXOBJJKB-UHFFFAOYSA-N 568.700 2.366 0 40 KEAB O=C(CN1CCC[C@@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)NCc1ccc(F)cc1 2037879504 ADVYMDIVNYHCCJ-NDEPHWFRSA-N 508.594 2.409 0 40 KEAB CCc1cc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3ccc(OC)c(CC)c3)CC2)ccc1OC 16780575 LFMFOQUCEPUSMD-UHFFFAOYSA-N 525.693 2.113 0 40 KEAB COc1ccc(CCn2c(N)c(C(=O)NCCN3CCOCC3)c3nc4ccccc4nc32)cc1OC 19939316 GRUDNFLVZYQFKS-UHFFFAOYSA-N 504.591 2.489 0 40 KEAB COCCn1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccccc2)CC1 20084143 XOHZTKPUOSWCSS-DEOSSOPVSA-N 505.579 2.090 0 40 KEAB O=C(NC[C@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(CCN1CCCCC1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 100341547 GMVFPWNFFVTYGC-YIXXDRMTSA-N 586.686 2.321 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Cl)c3C3CC3)[C@@H]2SC1 102658997 PPKUMWINOMGOGU-GZSXLKKWSA-N 536.916 2.295 0 40 KEAB CCOC(=O)C1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)CC1 102920611 XBBRDLUEDUOEMW-UHFFFAOYSA-N 547.678 2.228 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 102965728 RNTZZLCNXJPCLR-ABVIYVDXSA-N 616.572 2.051 0 40 KEAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1 223256340 LGABUYUQZITOQV-VWLOTQADSA-N 524.643 2.238 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225466379 NZHPOSPHTADHCA-AWEZNQCLSA-N 508.394 2.147 0 40 KEAB CC/C(C)=C/CC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@H]3C[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@@H]4O)[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@H]12 263637960 QOVKKEKBURQILF-AXAVABRGSA-N 785.025 2.147 0 40 KEAB COC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1I 409249348 KHMOJUMGAAMTRS-MHWRWJLKSA-N 565.320 2.383 0 40 KEAB CCCCN(C(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O)c1c(N)n(CCC)c(=O)[nH]c1=O 3432897 LZKPPNNXTHGZNR-KRWDZBQOSA-N 501.609 2.080 0 40 KEAB CCOC(=O)C1=CC2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3C1[C@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 8397543 CCYKAFXFMLGKTR-XMUSOGBUSA-N 530.533 2.364 0 40 KEAB Cc1cc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)c(C)c1 8830360 QRKQLHDAXDMMHE-HSZRJFAPSA-N 512.632 2.305 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC[C@@H]3CCCO3)C3CCN(Cc4ccccc4)CC3)n2)o1 12706000 WHKDBHKKONBIMA-QHCPKHFHSA-N 521.622 2.030 0 40 KEAB COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1 17433877 YUOILSRYWXTVIV-QHCPKHFHSA-N 543.617 2.198 0 40 KEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 20031478 PASIWWSOBPFSKU-SFHVURJKSA-N 509.650 2.243 0 40 KEAB COc1cc2nc(CN3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)[nH]c(=O)c2cc1OC 25397028 DNDUQHVJGFJPHZ-UHFFFAOYSA-N 512.510 2.466 0 40 KEAB CC(C)C[C@H]1OC(=O)[C@H]2CCCN2C(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O 67910488 RPJBXUNEXVNBIF-OGENLJSJSA-N 655.837 2.149 0 40 KEAB biogenic,in-vitro COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)cc1 100626405 GWXKSZGNWIFDJC-IADCTJSHSA-N 597.636 2.494 0 40 KEAB CC(C)(O)[C@@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 253503407 MDPXIRWVLJUABC-SNUXBCFHSA-N 652.866 2.261 0 40 KEAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408684968 KPZKIDWEWGIEEF-ZGJXEWGXSA-N 502.523 2.373 0 40 KEAB O=C(CN1C(=O)N/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O)Nc1ccccc1F 408961929 PKTWQIUQXAHNKN-BKUYFWCQSA-N 505.506 2.171 0 40 KEAB O=S1(=O)C[C@@H](O)[C@@H](N(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575423556 GJYKNROENDEQCD-ZWKOTPCHSA-N 612.362 2.427 0 40 KEAB O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)c1ccc3ccccc3c1)[C@@H]1CS(=O)(=O)C[C@@H]1N2S(=O)(=O)c1ccc2ccccc2c1 575424304 UPTHABTXESAVGW-KXSOJQAOSA-N 646.790 2.019 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 618071539 LTMHDMANZUZIPE-KLWMIXCESA-N 780.949 2.218 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 8445315 QOQUGXZAJWKAFH-VOZFUJEASA-N 539.610 2.245 0 40 KEAB COc1cc(/C=C/C(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)ccc1O 12946231 PMENVUPYEUQJGQ-ZRDIBKRKSA-N 522.558 2.127 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(Cl)c1 19818634 AYXKYDJWGGNLGQ-OAQYLSRUSA-N 504.418 2.471 0 40 KEAB CN(C)c1cccc2c(S(=O)(=O)N3C=Nc4cc(Cl)c(S(N)(=O)=O)cc4S3(=O)=O)cccc12 59608931 CTVMSXCIVZNWBD-UHFFFAOYSA-N 529.021 2.260 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C(=O)O)[C@@H](C)O 70700628 GHOKLCHUJDMSOZ-BWJAKLBMSA-N 532.597 2.119 0 40 KEAB biogenic COC(=O)[C@@H](C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(Br)cc1 100387807 VPABMVYNSQRPBD-PYPNTSRVSA-N 544.295 2.416 0 40 KEAB CN1C(=O)N(C)C(=O)C(Cc2ccc(Br)cc2)(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O 100744542 SUEFJQGAYAGVTN-QZTJIDSGSA-N 527.419 2.309 0 40 KEAB NS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 150480115 SFVRKTNAENTVMB-UHFFFAOYSA-N 661.784 2.408 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 224222188 NRZFEUFRBPTPAJ-XMMPIXPASA-N 545.639 2.088 0 40 KEAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(=O)N1CCCC1 224303905 LFUPTDLFLYPKDT-UHFFFAOYSA-N 537.660 2.073 0 40 KEAB CC(=O)N[C@@H]1[C@H](Sc2nnc(-c3ccccc3)n2CC(C)C)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 504388895 KPCRYRRUYSHRNL-JAWPICGBSA-N 562.645 2.349 0 40 KEAB biogenic Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCCn3ccnc3)CCO2)ccc1Cl 585287528 YMNHMXLFDRMUNX-AREMUKBSSA-N 518.058 2.466 0 40 KEAB Cc1cccc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1C 643579079 OVLPHEAMFNHABO-BJKOFHAPSA-N 552.672 2.369 0 40 KEAB CCn1c(=O)c(C(=O)CN(C)CC(=O)Nc2cc(Cl)ccc2OC)c(N)n(Cc2ccccc2)c1=O 3340973 GJPXELMJJBDLAQ-UHFFFAOYSA-N 513.982 2.076 0 40 KEAB CCOC(=O)CC[C@@H](NC(=O)CCCCCCCC(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC 6546165 WMIZMOTUQDMONP-NHCUHLMSSA-N 558.669 2.500 0 40 KEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)cc1 9694807 KLEFFOIVVCYOCW-UHFFFAOYSA-N 513.598 2.335 0 40 KEAB CC(C)CN(C(=O)COC(=O)Cc1c[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13010618 QSZINMYHXGGZER-UHFFFAOYSA-N 503.559 2.423 0 40 KEAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O 14141999 ZALHIFMPXHNNJL-HHHXNRCGSA-N 520.611 2.281 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 19809660 PWXHHWTYRCPPIY-UHFFFAOYSA-N 501.605 2.169 0 40 KEAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(Cc4ccccc4)CC3)cc2c1 19973347 XVTPTHWRBMWOSD-RUZDIDTESA-N 503.607 2.467 0 40 KEAB CC(=O)O[C@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C(=C1C)C2(C)C 70666088 WPPPFZJNKLMYBW-MTXUKGIKSA-N 630.687 2.015 0 40 KEAB biogenic COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)cc2C)CC1=O 138920459 JDXSOKAXCJELAW-AWEZNQCLSA-N 504.337 2.441 0 40 KEAB Cc1cc(C)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c(C)c1 224317831 XGKVYSIPSOQKSO-UHFFFAOYSA-N 523.677 2.358 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCc1ccc(S(=O)(=O)N(C)C)cc1 225230052 XMEVOEQBIUNMRN-UHFFFAOYSA-N 512.679 2.217 0 40 KEAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc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biogenic C[C@H]1O[C@@H](O[C@@H]2[C@H](O)C[C@@H](O[C@@H]3[C@H](O)C[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)[C@H](O)C[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253629637 LKRDZKPBAOKJBT-HPSIJNIWSA-N 780.949 2.218 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409389218 PFCWPVMYBPCQJZ-NXLSWJSLSA-N 561.616 2.087 0 40 KEAB COc1cccc(N2CCC(O)(CN3CCN(C(C)=O)C[C@](O)(COc4ccc(F)c(C)c4)C3)CC2)c1 585287552 OGRKDWILNCLLFB-NDEPHWFRSA-N 515.626 2.448 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@H]1c1ccc(Cl)cc1 2288213 ZXIYXXUKNZSPSE-NHFXJNLRSA-N 507.955 2.325 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 13145721 GYWHTVLVOLKALT-XMMPIXPASA-N 500.577 2.058 0 40 KEAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 13150069 QEQJNCHKRGBMDQ-JOCHJYFZSA-N 511.556 2.353 0 40 KEAB O=C(C[C@@H]1CS(=O)(=O)C[C@@H]1CC(=O)Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2 17784709 BBXAJBDNBDEGRS-IYBDPMFKSA-N 502.545 2.247 0 40 KEAB CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]45)[C@H]23)ccc1O 100922652 BWSWDBNLAXXHNC-BMDGLPDMSA-N 516.597 2.489 0 40 KEAB COC(=O)C1=c2s/c(=C/c3ccccc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 102662757 DQKSRVVLQSCGGB-STLXWTDXSA-N 530.627 2.418 0 40 KEAB CCN(c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)S(C)(=O)=O 224389385 GUFQECHWZCICEV-UHFFFAOYSA-N 509.650 2.456 0 40 KEAB CCN1CCN(CC(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)CC2)CC1 257227013 FNGHNBKYVIPVIS-UHFFFAOYSA-N 507.075 2.214 0 40 KEAB Cc1nc2ccccc2n1CCCC(=O)N1CCC2(CC1)C[C@H](n1cnc3c(N)nc(N)nc31)[C@@](C)(O)CO2 257260563 LDKBCAOFLRUZBD-FNZWTVRRSA-N 533.637 2.203 0 40 KEAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/[C@H]4C(=O)NC(=S)N(c5ccc(C)c(C)c5)C4=O)c(=O)n32)cc1OCC 408935208 MZKMLWWTQLJHSN-FMANFPIGSA-N 634.736 2.448 0 40 KEAB C[C@@H]1NC(=O)[C@H](CO)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCNC(=O)C2(C)CCCCC2)NC1=O 643580454 KVEBANQTAVBPAE-COTPGQAASA-N 663.816 2.144 0 40 KEAB COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)cc1 8690343 NFFQMUTVGMTGIX-HOFKKMOUSA-N 578.647 2.300 0 40 KEAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 38152216 GASQZRYWRPKEIL-NRFANRHFSA-N 529.681 2.067 0 40 KEAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)cc2)s1 59522820 MYACFCFVWRFNFW-UHFFFAOYSA-N 583.714 2.437 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)N(c2cccc(-n3cnnn3)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 101141127 XHIPUQWBLOVMRI-UHFFFAOYSA-N 555.598 2.163 0 40 KEAB CCOc1cc([C@@H](c2c(O)n3c(nc2=O)SCCC3)c2c(O)nc3n(c2=O)CCCS3)ccc1O 102507296 AWSHIRSSUVJAJO-OAHLLOKOSA-N 516.601 2.487 0 40 KEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 254772563 ZHDZUDWKWGRQNO-GUBFPNNNSA-N 500.602 2.011 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409159990 OUCSDBJWHRHLJW-NAIWQIQESA-N 637.711 2.062 0 40 KEAB COC(=O)COc1c(/C=C2/NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)cc1OC 409399391 HTIQNIKPHNWGOX-VGOFMYFVSA-N 523.292 2.482 0 40 KEAB CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCNC1=O 643568540 VLIQRZWHPNLNNQ-LBNVMWSVSA-N 623.726 2.142 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1[C@]3(C)CC[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C 1857777788 RWXIFXNRCLMQCD-NTWSIWLPSA-N 785.025 2.149 0 40 KEAB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3c(I)cnn3C)c2C(N)=O)C1 2745635 NVLUHBUDSSFHCZ-ZETCQYMHSA-N 503.391 2.437 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NCc3ccccc3)c3ccncc3)n2)o1 6281143 RPLLMAVOTFSWIQ-MHZLTWQESA-N 558.643 2.245 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 6547116 PBTLRYBXELJBSD-FQEVSTJZSA-N 529.550 2.039 0 40 KEAB CN(C(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C1CCCCC1 12569953 SHLHRWQCEFRPOJ-UHFFFAOYSA-N 503.415 2.418 0 40 KEAB C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C)c1ccccc1 12889329 OIPATMUGKZSSKM-PWNAHLAVSA-N 522.627 2.207 0 40 KEAB biogenic COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 13085313 YUXDNNOHKAVBBV-NRFANRHFSA-N 513.591 2.189 0 40 KEAB CCCCOC(=O)NC(=O)c1cn(CCCOC(=O)CCCCCCCCC(=O)OCCCn2cc(C(=O)NC(=O)OCCCC)c(=O)n(C)c2=O)c(=O)n(C)c1=O 95550326 LIJDIPAMXKLZGU-UHFFFAOYSA-N 820.894 2.428 0 40 KEAB CN1CCO[C@H](CN(CCCOc2ccc(S(C)(=O)=O)cc2)CCCOc2ccc(S(C)(=O)=O)cc2)C1 102750694 AVKCEKLLJQSDIF-DEOSSOPVSA-N 554.731 2.364 0 40 KEAB COc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)C2=O)c(OC)c1 102988046 BJZDXFJIJCOAGI-IBGZPJMESA-N 527.521 2.361 0 40 KEAB Cc1oc2cc(OCC(=O)N[C@@H](CCCNC(N)=O)C(=O)O)ccc2c(=O)c1Oc1ccccc1F 256028140 VNLMWFUJSDGTOC-KRWDZBQOSA-N 501.467 2.430 0 40 KEAB C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]3(C)C(=CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O 642771874 MLKQAGPAYHTNQQ-WPHBJJTRSA-N 650.850 2.434 0 40 KEAB CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(Cl)cc1OC[C@@H](N)Cc1ccccc1)C(=O)O 2037879962 ZIQXBFLBHPICDJ-BVSLBCMMSA-N 547.052 2.268 0 40 KEAB COc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)cc1OC 1222963 SKMCWOQXSMWUOO-UHFFFAOYSA-N 541.605 2.089 0 40 KEAB O=C(CNC(=O)c1ccc(Br)cc1)NCC(=O)OCC(=O)c1ccc(Br)cc1 1838138 OJHMUKUKIYFSDT-UHFFFAOYSA-N 512.154 2.484 0 40 KEAB COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(O)n(-c2ccc(I)cc2)c(=O)[nH]c1=O 2268255 PKTJGGURKIYKQK-HNNXBMFYSA-N 522.251 2.113 0 40 KEAB COc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1S(=O)(=O)N1CCCC[C@@H]1C 3436787 KBXKACSXTPDFAH-INIZCTEOSA-N 501.561 2.400 0 40 KEAB COCCNC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc(OC)cc3)C(=O)N12 20642851 LJFRLCOJECTYFR-OAQYLSRUSA-N 523.615 2.246 0 40 KEAB CCn1cc(C(=O)N2CCN(CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)n1 67337493 GUSDTVIJPJSDME-UHFFFAOYSA-N 516.712 2.445 0 40 KEAB CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4cccc(Br)c4)CC3)nc21 97954898 MGSRLSYBLOVYJN-UHFFFAOYSA-N 545.419 2.109 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 102777884 BTJNRYOLWGIYGR-DEOSSOPVSA-N 539.610 2.074 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224236821 OFCPZZIWDOVBJL-FQEVSTJZSA-N 518.057 2.330 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(Cc5ccsc5)CCN4C3=O)O2)cn1 253402159 NZRBGKJENMMMPU-WVAUJHLCSA-N 565.696 2.282 0 40 KEAB CC[C@@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccccc2C)NC(=O)c2ccccc2OCCN(C)C1=O 643562644 YDFDNXONUBSHIC-BLFHIAQRSA-N 522.646 2.224 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCN(C(=O)OCC)C4)cc2)CC1 4177832 ZBCSZHFNDBEPKJ-UHFFFAOYSA-N 593.684 2.077 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C 6547075 FIXKWNUJBFVEJB-NRFANRHFSA-N 525.587 2.214 0 40 KEAB O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 13128464 NAVUNSCKQKKNCJ-UHFFFAOYSA-N 505.574 2.031 0 40 KEAB Cc1ccc(NC(=S)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c(S(=O)(=O)N2CCOCC2)c1 15978741 RYGHNXNHUXGGTP-UHFFFAOYSA-N 512.679 2.384 0 40 KEAB CC(C)(NC(=O)NCCCN1CCOCC1)c1cccc(C(C)(C)NC(=O)NCCCN2CCOCC2)c1 16323368 RNJGJHBPTLXVDM-UHFFFAOYSA-N 532.730 2.200 0 40 KEAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2)C[C@@H](C)O1 17527651 WVKQFLWNDASKSL-CALCHBBNSA-N 531.616 2.328 0 40 KEAB CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(C(=O)c2ccco2)CC1 20084204 VCNVZDCPMFXPCO-NRFANRHFSA-N 505.535 2.139 0 40 KEAB CCOC(=O)C1=C(COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)NC(=O)N[C@@H]1c1ccco1 24002387 OTFRGZOABABQDV-LJQANCHMSA-N 523.589 2.156 0 40 KEAB COc1ccc(N(CC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)S(C)(=O)=O)cc1Cl 30870045 IZUPTBMODCFUHD-UHFFFAOYSA-N 520.029 2.449 0 40 KEAB COc1cc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc(Br)c1OC(C)=O 100903056 SFMBEAXHIWEEGG-ZDLGFXPLSA-N 532.347 2.485 0 40 KEAB CCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)n1 102920223 WCQMIZVHMXEZQQ-UHFFFAOYSA-N 537.690 2.388 0 40 KEAB COc1ccc(C(=O)N/C(=C\c2ccc(OC)c(OC)c2)C(=O)NC(=N)NS(=O)(=O)c2ccc(N)cc2)cc1 102944846 JZIIZUOJZKHVMU-STZFKDTASA-N 553.597 2.095 0 40 KEAB CCCC[C@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)CC(C)C 226098269 LOHDEFSMLITXTG-PUNQDHHHSA-N 774.964 2.195 0 40 KEAB in-vitro COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@@H]54)[C@@H]23)cc(OC)c1O 245225804 QCROTELSISKDDD-JINLPSAFSA-N 546.623 2.497 0 40 KEAB CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)Cc1ccc(Br)cc1 408625667 WTEJWVICFANCTH-UHFFFAOYSA-N 524.437 2.284 0 40 KEAB O=C(O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408827583 KYRVGCDOWMVBIG-JOCHJYFZSA-N 529.596 2.087 0 40 KEAB CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@H](C(=O)NC(C)(C)C)c1cccs1 6546259 NPCAJXDMPTZEJP-NRFANRHFSA-N 514.608 2.458 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 8445313 QOQUGXZAJWKAFH-INJUALFYSA-N 539.610 2.245 0 40 KEAB CCn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCn2ccnc2)c(=O)c2cc3c(cc21)OCO3 9410878 RDYSMKSDOUUNFG-QFIPXVFZSA-N 515.570 2.494 0 40 KEAB CCc1nc2ccccc2c(C(=O)OCC(=O)N(CCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C 38145798 RHFOWZRQSPPKBC-UHFFFAOYSA-N 545.596 2.423 0 40 KEAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)c(C)c1 59838697 UFGPZCCXDKOJQS-QHCPKHFHSA-N 549.715 2.350 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 409169871 RNLJBGBXKYSTCN-RGDUZTMSSA-N 621.712 2.443 0 40 KEAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643565951 SEVLFDZSAMVYNN-DHLKQENFSA-N 540.636 2.400 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC1=O 643566116 PGOKMJHYYQMOAO-GOTSBHOMSA-N 526.609 2.103 0 40 KEAB CN1CC(=O)N(C)[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCC2CC2)CCC1=O 643569363 DYIKUSQXRUMSSF-VWNXMTODSA-N 520.630 2.012 0 40 KEAB O=C(/C=C/c1c[nH]c2ccccc12)N1CCCOc2ccccc2CCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1 2037976174 QPGQDOKKYIIHDA-DXIUHZDMSA-N 538.641 2.275 0 40 KEAB Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1N[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O 5741610 GHFJZNGBIKFXKG-OWYHZJEWSA-N 541.196 2.070 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)CC2)cc1 13670504 CJEOEHLTDBZAJC-KRWDZBQOSA-N 500.042 2.336 0 40 KEAB CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN3C(=O)NC4(CCCC4)C3=O)C2=O)cc1OC 97985946 XCDMGNCYMCJUNX-QGOAFFKASA-N 516.576 2.111 0 40 KEAB CCOC(=O)/C=c1\s/c(=C/c2ccc(C(=O)OC)cc2)c(=O)n1Cc1cc(Cl)cc2c1OCOC2 97993883 LYPLMWUTZVDLRE-PKGURTHXSA-N 515.971 2.437 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)CSc2ccc(Br)cc2)c(N)n(Cc2ccccc2)c1=O 103056881 YTBJLBWPKBIZEK-UHFFFAOYSA-N 576.425 2.094 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)o1 245229685 CYYNJBDXZLPTFX-SELNLUPBSA-N 512.567 2.187 0 40 KEAB CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 1534688797 RCCBQPYIPSPBFI-XMBLUTLCSA-N 780.993 2.316 0 40 KEAB COc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)nc(OC)n1 6073839 PAINLVBTAPWIET-UHFFFAOYSA-N 507.550 2.054 0 40 KEAB COc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2cc1OC 6136475 OCMOJOBMVQHGGS-QFQXNSOFSA-N 547.616 2.328 0 40 KEAB COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)NC4CCCCC4)nn23)cc1 16954547 NSWSAKZAGIWIDD-UHFFFAOYSA-N 504.638 2.195 0 40 KEAB COc1ccc(S(=O)(=O)N(c2cccc(-n3cnnn3)c2)S(=O)(=O)c2ccc(OC)cc2)cc1 17043975 JYGMKGMUJJVDEY-UHFFFAOYSA-N 501.546 2.264 0 40 KEAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(OCC(=O)N2CCOCC2)c(OCC)c1 23079194 GSMQCRFLDPYORX-UHFFFAOYSA-N 514.531 2.295 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccccc2)cc1OC 59837539 NGYZMRBQZNCXOL-UHFFFAOYSA-N 603.719 2.232 0 40 KEAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O 66166757 PCRGHTMEGOPCKX-QFIPXVFZSA-N 524.521 2.006 0 40 KEAB CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C 85867198 GUCQNCIRWXJSOI-GVXSCFBNSA-N 707.822 2.267 0 40 KEAB biogenic COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 100720345 BSMKKHOBVIMUCZ-XOBACGFXSA-N 538.578 2.359 0 40 KEAB CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(=O)Nc1c(Cl)cccc1Cl 102889237 GGDGIQYQAQWOFV-UHFFFAOYSA-N 529.446 2.201 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 222718550 RJJUMJQDZILCNE-UHFFFAOYSA-N 529.640 2.220 0 40 KEAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4cccc(OC(F)(F)F)c4)C3)C2=O)cc1 225388516 QDTHSYLRJGZHJJ-NQIIRXRSSA-N 505.493 2.152 0 40 KEAB biogenic,in-vitro C[C@H]1O[C@H](O[C@H]2[C@H](O)C[C@@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253618037 LTMHDMANZUZIPE-YBGFFKOXSA-N 780.949 2.218 0 40 KEAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)O)c(OC)c4)c(=O)n32)cc1OCC 408932152 BCSNTGZLIDTBQH-VPVLBGOXSA-N 568.604 2.288 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 409112537 DPIQOHTVXMXPEM-RKKARLDVSA-N 519.579 2.162 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)c2ccccc21 409388054 KBOJOHJBFVQWEW-IECPXTFPSA-N 618.712 2.401 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCCN3CCCC3=O)c2)C[C@](O)(COc2ccc(C)cc2)C1 585271631 ITRCUYNSHMUGMZ-SSEXGKCCSA-N 539.673 2.487 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1CC 6860686 AJVYYZXMFAYRNQ-OAQYLSRUSA-N 525.587 2.160 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](C)n4ncc(Cl)c4C)[C@H]3SC2)s1 8715737 XYRPGPNXVVZDQD-JVAXNHSRSA-N 515.042 2.097 0 40 KEAB COc1ccc(OC[C@@H](O)Cn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 9308689 AMHFEUXNTMLKEI-NRFANRHFSA-N 519.602 2.331 0 40 KEAB CC[C@H](c1nnc(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)n1CCN1CCOCC1)N(C)C 24001825 IISBZSRRACIQKU-GOSISDBHSA-N 517.656 2.169 0 40 KEAB CC[C@H](C)[C@@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 65731196 YYWXOXLDOMRDHW-SGVWFJRMSA-N 575.710 2.430 0 40 KEAB in-vitro CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)COc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 70665115 FHAFYTMDIMBRQD-VNFNVIIVSA-N 592.525 2.255 0 40 KEAB CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)O 77287014 GUDVCEUDUGFATD-OOOLTRJPSA-N 513.639 2.398 0 40 KEAB in-vitro C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224380065 CSAZMBYFAJUSQR-GOSISDBHSA-N 527.640 2.350 0 40 KEAB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc5c(c4)n(C)c(=O)n5C)c(=O)n32)cc1 408863629 TXWLJVYNJKOVGU-XPCGLTFESA-N 532.622 2.386 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409111659 BUWQKSAFXXHDCN-SBXHHDGASA-N 546.649 2.467 0 40 KEAB O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)c1ccc3ccccc3c1)[C@H]1CS(=O)(=O)C[C@@H]1N2S(=O)(=O)c1ccc2ccccc2c1 575424305 UPTHABTXESAVGW-LAJGZZDBSA-N 646.790 2.019 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OCC)cc3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(OCC)cc1 989087 MXMSOJOZGOZYRL-CSMMYAOASA-N 550.633 2.348 0 40 KEAB CC(C)Cn1c(=O)c2sccc2n2c(CCCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nnc12 9939287 SMBSBGQEODMZLC-UHFFFAOYSA-N 516.649 2.091 0 40 KEAB O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 13129840 HZHPOBJRADMCEQ-HXUWFJFHSA-N 507.620 2.252 0 40 KEAB CC(=O)O[C@H]1C(=O)[C@]2(C)C=C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C 72130226 GKORGTAVTDVIOM-KSGSGGQMSA-N 568.619 2.458 0 40 KEAB in-vitro COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c(OC)c1 100451924 NZZIIESMLVXBCO-QFIPXVFZSA-N 543.617 2.198 0 40 KEAB COc1cc(NS(=O)(=O)c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc2OC)cc(OC)c1 102997758 JGRQZJYXTPTZDT-UHFFFAOYSA-N 549.627 2.133 0 40 KEAB CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O 223116356 AAJZDALOYBGUOV-GOTSBHOMSA-N 522.067 2.467 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 224543180 WBPGWDYJHILJAH-QFIPXVFZSA-N 508.616 2.391 0 40 KEAB CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 253389583 RROGHRHLBLVQSG-LUQINIBFSA-N 766.966 2.494 0 40 KEAB biogenic,in-vitro CC(=O)N1CCCN(C)CCN(C(=O)CC[C@]2(c3ccc(F)cc3)NC(=O)NC2=O)Cc2ccccc21 643557201 KJAJSYPQJKIMQN-HHHXNRCGSA-N 509.582 2.358 0 40 KEAB CC(C)N1CCCN(C(=O)c2ccccn2)c2cc(F)ccc2CN(C(=O)[C@@H]2COCCN(S(=O)(=O)N(C)C)C2)CC1 643561533 QRPNFIWEBDTINX-DEOSSOPVSA-N 604.749 2.065 0 40 KEAB COc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1 1339738 XYGKSHLTYQKWLL-UHFFFAOYSA-N 515.530 2.179 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 2288716 VOHYSFSHGWMINE-RWTNITNYSA-N 536.562 2.267 0 40 KEAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6208148 STDXKLUKYPFFDH-MGBGTMOVSA-N 504.565 2.047 0 40 KEAB COc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2cc1OC 20084080 FBIPIOBHOKKSLZ-QFIPXVFZSA-N 521.578 2.427 0 40 KEAB CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(=O)NCCCC(=O)O 103515611 ZBIZBROUWHRQBT-AKJBCIBTSA-N 573.643 2.212 0 40 KEAB O=C(COc1ccc(Cl)cc1Cl)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO 150385461 ZGJKCHJDWLOMSQ-UHFFFAOYSA-N 793.728 2.107 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224227928 HAYRKYBMJNRKNE-UHFFFAOYSA-N 539.676 2.175 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1OC 409112539 DPIQOHTVXMXPEM-VFJWVMJUSA-N 519.579 2.162 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccc(C)cc2)cc1Br 10283757 FBYJLXLWCFBQNY-UHFFFAOYSA-N 510.410 2.262 0 40 KEAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13133797 XIQMNPDVCBYRBR-QFIPXVFZSA-N 523.036 2.018 0 40 KEAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 20031323 SPARBYQSQNDRRC-INIZCTEOSA-N 500.042 2.498 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 20032531 TUBGUBFYBPDHAR-UHFFFAOYSA-N 503.602 2.433 0 40 KEAB CCCCN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32994478 HFJXPSSUOVXWPV-LJQANCHMSA-N 529.638 2.016 0 40 KEAB C[C@]1(C2=NO[C@@H]3C(=O)N(CCNc4ncc(C(F)(F)F)cc4Cl)C(=O)[C@H]23)NC(=O)N(c2ccccc2)N1 100913197 DAMQUONKPOZAGZ-GXZWQRSESA-N 537.886 2.356 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1 224240679 TUGBINQIFBVTEB-UHFFFAOYSA-N 588.546 2.436 0 40 KEAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 226087046 OBENPPSVHBQRNZ-UHFFFAOYSA-N 523.677 2.143 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)cc1Cl 408616596 AJJPFQZKIUFLIY-AWEZNQCLSA-N 502.014 2.426 0 40 KEAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408684966 KPZKIDWEWGIEEF-VATUJKLESA-N 502.523 2.373 0 40 KEAB COCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 409002735 PMUQYAKAPCQSJW-SFHVURJKSA-N 502.374 2.334 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccccc1OC 409160873 XPWFYNOYTPMZON-AYTQJLEDSA-N 604.729 2.350 0 40 KEAB CC(C)c1nnc(CCC(=O)N2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)o1 585285656 RNVBUALQSGTAIY-RUZDIDTESA-N 504.559 2.190 0 40 KEAB COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CNCc2ccncc2)c1 643550760 XCXNGLSAXWGMQG-QAXKFHDJSA-N 614.784 2.418 0 40 KEAB COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nnc(COc3ccc(C)cc3)n2C)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1 643912838 BQFYLYHQDOXYNH-FWTOBACQSA-N 665.854 2.060 0 40 KEAB O=C(O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C(=O)O)c3)CC2)ccc1Cl 2641992 YKUFGNXRGQXBKM-UHFFFAOYSA-N 523.372 2.085 0 40 KEAB CCOc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1 6090073 IBADSAMBCJXYFP-DENIHFKCSA-N 538.630 2.297 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC[C@H]3CCCO3)C3CCN(Cc4ccccc4)CC3)n2)o1 12706010 WHKDBHKKONBIMA-HSZRJFAPSA-N 521.622 2.030 0 40 KEAB CCn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36295993 RWDJTSKTAQJDHW-UHFFFAOYSA-N 516.649 2.338 0 40 KEAB CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)[C@H](O)C[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O 95785591 CPFNIKYEDJFRAT-DDVIRSOQSA-N 550.689 2.081 0 40 KEAB biogenic COC(=O)[C@]12C=C[C@@H](CC1)[C@H]1C(=O)N(c3cccc(N4C(=O)[C@H]5[C@H]6C=C[C@](C(=O)OC)(CC6)[C@@H]5C4=O)c3)C(=O)[C@@H]12 247807585 AQJQBGWZFOYOQM-KLGZNFPYSA-N 544.560 2.176 0 40 KEAB COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(Cc5ccc(NC(C)=O)cc5)C[C@H]4C(=O)NC[C@H]2O3)nn1 253407996 WZWOUCSZHIPVKE-CLWAWUJFSA-N 631.734 2.397 0 40 KEAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1 260890784 SBUDCZHTJRRWTC-HXUWFJFHSA-N 523.677 2.438 0 40 KEAB O=C(O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1Br 409143554 COEQURCCWBQJJB-NTUHNPAUSA-N 519.757 2.461 0 40 KEAB COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@H](CC(C)C)C(=O)NCCCOc3ccccc3C(=O)N2)cc1 643567470 GWMJDYRUDCLBDO-LOSJGSFVSA-N 568.671 2.199 0 40 KEAB Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c12 2654248 KXRCLEBFRZIXTM-UHFFFAOYSA-N 530.566 2.477 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1cc(OC)ccc1OC)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1 6546610 QWCLSKVTINXPFD-JOCHJYFZSA-N 555.613 2.217 0 40 KEAB COc1cc(C(=O)NCc2ccccc2)ccc1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 8431874 LBINJDLQVHABOX-VOVYINIXSA-N 587.578 2.087 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 19961916 LRLGVIYGHCVHBY-OAQYLSRUSA-N 504.418 2.471 0 40 KEAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 59837527 DGQNYNUNCRCVIX-UHFFFAOYSA-N 587.720 2.266 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2cc(Br)c(N)c(Br)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 150413204 RAQHNWWPQJUHKT-AXDKOMKPSA-N 655.318 2.163 0 40 KEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(C)(C)CNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)C[C@H](C)O1 150682887 AVSHDWPJCNVDBH-SWIJEOLNSA-N 664.847 2.468 0 40 KEAB C1CC[C@H](OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]2CCCCO2)OC1 150695917 KQTDEIPVSPHYFD-COCZKOEFSA-N 891.099 2.322 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 224490207 JJRRVYYGJKCESY-OAQYLSRUSA-N 586.132 2.098 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 225488395 KGFHFKOOVBATAF-HNNXBMFYSA-N 529.432 2.364 0 40 KEAB CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C 257371160 LPLVUJXQOOQHMX-WUWMMFTLSA-N 822.942 2.246 0 40 KEAB biogenic,in-vitro COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[nH]3)C2)cc1 6173182 LIARREVHTWSGKK-LJQANCHMSA-N 522.587 2.226 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c(OC)c1 6924538 NUGZJKSVIPSGIK-VGSWGCGISA-N 555.613 2.230 0 40 KEAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 12526627 ACWRVQZFIKRJKF-UHFFFAOYSA-N 504.584 2.158 0 40 KEAB Cc1ccc([C@@H](c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCN(c3ncccn3)CC2)cc1 20150853 YKSUKAWELXYLER-QHCPKHFHSA-N 504.620 2.423 0 40 KEAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)CCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 24764386 GHRLPDUCFZFDCZ-GOSISDBHSA-N 515.611 2.423 0 40 KEAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2=O)cc1 96019853 FNXMGRVDHVVMLB-UHFFFAOYSA-N 596.637 2.171 0 40 KEAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@H](C)C(=O)O)C(=O)[C@@H]23)cc1OC 100872256 YIGVFLRPDVBPHC-XWUSPAERSA-N 516.597 2.400 0 40 KEAB CC(C)C[C@H]1NC(=O)[C@@H]([C@@H](C)c2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O 150345608 JYHXDMQYXCMDPF-WCGOGUFZSA-N 786.975 2.075 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 211547053 CNNXBNAKPOIAQM-GAISBVLPSA-N 508.552 2.270 0 40 KEAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224451415 DNDVMUQZSKAVEJ-UHFFFAOYSA-N 577.656 2.237 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 225491132 UUGPOUDGWHPHEJ-HNNXBMFYSA-N 529.432 2.364 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031617 HPFTXMZMZURGRB-AOLPSBPOSA-N 552.605 2.454 0 40 KEAB CCOC(=O)N1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 409173392 LYBGUGRTVQOPTC-UHFFFAOYSA-N 507.540 2.093 0 40 KEAB Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCc3ccnn3C)CCO2)ccc1Cl 585286133 NDRBSQQYFQATMR-AREMUKBSSA-N 518.058 2.155 0 40 KEAB CC(C)C[C@H]1C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCC2)CC(=O)N1C 643574607 DHZODZUDXRPFAF-LMERMFHRSA-N 676.859 2.229 0 40 KEAB CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O 927665 AJTJFWOVBZMVTD-UHFFFAOYSA-N 506.519 2.017 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Cl)cc4)o3)[C@@H]2SC1 9201707 UZDJAUSXPPRLAJ-UTKZUKDTSA-N 506.920 2.427 0 40 KEAB C[C@](NC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1)(C(=O)N1CCN(Cc2ccccc2)CC1)C1CC1 102844327 OOCOWZUNTJNLTD-WJOKGBTCSA-N 546.716 2.143 0 40 KEAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)COC(=O)CNC1=NS(=O)(=O)c3ccccc31)CC2 103066537 MZBRXPLBJRFJCZ-MHZLTWQESA-N 549.605 2.460 0 40 KEAB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3cccc(CN4CCOCC4)c3)c2)CC1 224744249 AIHYIJKGWDXARJ-UHFFFAOYSA-N 507.056 2.038 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]5C(=O)N(c6cccc(S(=O)(=O)N(CC)CC)c6)C(=O)[C@H]45)[C@H]3C2=O)c1 245265391 GSHXHFGOLJGKKB-SMCKKPLMSA-N 668.794 2.475 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccccc1 409153588 DKCNRSOKCNSYML-CVMWMZFYSA-N 547.633 2.036 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409156104 RNIRWAXYNFTQLN-UNRSNATKSA-N 614.680 2.341 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCn3ccnc3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 585275024 UEIUUQAVRHWVCJ-HHHXNRCGSA-N 530.572 2.341 0 40 KEAB CC1(C)NC(=O)N(CCOc2ccc(CN3CCOC[C@](O)(COc4ccc(F)cc4)C3)cc2)C1=O 585279751 GOJSPPNMGDVANK-SANMLTNESA-N 501.555 2.177 0 40 KEAB CCOc1ccc(-c2cc(C(=O)N(CC(=O)O)Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)n[nH]2)cc1 2037898703 ZRUPTPSRBKLVFY-UHFFFAOYSA-N 528.587 2.223 0 40 KEAB CCOC(=O)CN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1ccc(Cl)cc1 6546279 SOXQZWZLVFZKIK-GOSISDBHSA-N 510.016 2.387 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6546864 WDGTYIJBRJQJTP-QGZVFWFLSA-N 505.553 2.092 0 40 KEAB CCOc1ccc(NC(=O)COC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 12697823 HIVQXNICATYEFP-IBGZPJMESA-N 524.617 2.438 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3cccs3)n2)o1 19825969 OZDPDTVWHFUHTR-NRFANRHFSA-N 515.640 2.120 0 40 KEAB CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 33357760 LYVKBEVHZHVSKB-UHFFFAOYSA-N 556.666 2.236 0 40 KEAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CC(=O)O)C(=O)[C@H]45)[C@H]23)cc1OC 100864302 ACVICMKIVRMSAI-WXIIEGHOSA-N 502.570 2.012 0 40 KEAB COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O 103666005 DMLKUPXKUQREOC-CFXNPWLASA-N 575.412 2.186 0 40 KEAB CC(C)C[C@H]1NC(=O)[C@@H]([C@@H](C)c2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O 150345612 JYHXDMQYXCMDPF-YYPQSXTJSA-N 786.975 2.075 0 40 KEAB biogenic,in-vitro COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@H](C(C)C)C(=O)NCCCCC(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1 643568608 ANFUNSZTTVIVGL-KYXWXVNXSA-N 653.777 2.093 0 40 KEAB Cc1noc(C)c1-c1ccc2c(c1)NC(=O)CN1CCN(S(=O)(=O)c3c(C)noc3C)C[C@@H]1CO2 1772594625 QWHBNSAUYBLYNI-GOSISDBHSA-N 501.565 2.269 0 40 KEAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1C 3302134 KVDBNJKXNINEGJ-HNNXBMFYSA-N 507.634 2.418 0 40 KEAB COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1 7059808 ROFUUJRAKGPQJM-OXQOHEQNSA-N 513.576 2.105 0 40 KEAB CCOC(=O)c1ccccc1NC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 9519767 LSJJSQGTSUSZKY-UHFFFAOYSA-N 513.572 2.089 0 40 KEAB O=C(COC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)Nc1ccc2c(c1)OCCO2 13146232 LGKJCGSTJLFASH-OSPHWJPCSA-N 515.519 2.379 0 40 KEAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)c1 20032546 QXYIXZCHKLZARM-UHFFFAOYSA-N 503.602 2.447 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20112559 MSQIJNPGUHKPTQ-LJQANCHMSA-N 518.013 2.201 0 40 KEAB C[C@@H](NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 59981356 YNGSQCZPCOLUSX-CYBMUJFWSA-N 536.413 2.338 0 40 KEAB COc1ccc(S(=O)(=O)NCCC(=O)NC(C)C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 95117011 JEDGYAHHCHQLGP-UHFFFAOYSA-N 504.030 2.367 0 40 KEAB COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@H](c2ccc(OC)c(OC)c2)c2sc(=O)[nH]c2S[C@H]31 100971573 PYRQISFDANFGQF-BMDGLPDMSA-N 516.597 2.100 0 40 KEAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1S(=O)(=O)N(C)C 103049182 QRGKOABSBVGMPT-UHFFFAOYSA-N 536.676 2.119 0 40 KEAB CC(=O)N[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](NC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)/C(O)=C/O)[C@@H]1OC(C)=O 232321463 AWUHWCGAUJTMSZ-IFKNNVJCSA-N 697.694 2.014 0 40 KEAB COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NCc2ccco2)ccc1OC(C)=O 409379536 XMWHNJZFVGKSEB-DQEYMECFSA-N 613.528 2.299 0 40 KEAB O=C1CN(Cc2ccccc2)C(=O)CC[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCN1 643570288 WQUDIEURLPYQIC-SANMLTNESA-N 563.699 2.095 0 40 KEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)CS2 8692914 DZAKRSXBMGSWAR-DYESRHJHSA-N 516.041 2.450 0 40 KEAB CCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1OCC 32966705 FYGNKYAEIFFFKM-UHFFFAOYSA-N 518.636 2.131 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222853824 WKBQSPSUWUJIMF-LJQANCHMSA-N 521.611 2.169 0 40 KEAB CN(C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 3402125 GNFAFBFGQBMBJV-GOSISDBHSA-N 500.602 2.460 0 40 KEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nc(O)c3nnn(Cc4ccc(F)cc4)c3n2)CC1 6161787 QYJMPAPOJRVPQL-UHFFFAOYSA-N 526.550 2.454 0 40 KEAB CCOC(=O)[C@H](C)C[C@H](C)C(=O)N1CCOCCN(C(=O)[C@H](C)C[C@@H](C)C(=O)OCC)CCOCC1 6547717 UAGMDKBSYWLEFF-CIAFKFPVSA-N 514.660 2.141 0 40 KEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccccc1I 103132033 XQIMDZJBPPZDAN-CQSZACIVSA-N 573.409 2.150 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)cc1 224222444 ZGYHOLBCSCLZCP-UHFFFAOYSA-N 586.736 2.252 0 40 KEAB COc1ccc(C)cc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 224436880 LBXCUWBWDNWFRD-UHFFFAOYSA-N 603.719 2.415 0 40 KEAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCC(=O)O)c(OC)c3)c2=O)=N1 409029883 BWIHUGYVKPGOOX-BXDIUNCMSA-N 508.552 2.270 0 40 KEAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 3530054 LEEFNOSHLGJRPX-UHFFFAOYSA-N 515.519 2.361 0 40 KEAB O=C(c1ccco1)N1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2Cc2ccccc2)CC1 6446635 ITEDKKJRNUTZAU-RUZDIDTESA-N 539.552 2.432 0 40 KEAB COc1ccc(C(=O)NCCCN2CCN(CCCNC(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 19626454 ZGPRPLYNYKOVNJ-UHFFFAOYSA-N 528.650 2.279 0 40 KEAB COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 102253587 GZDHJDXGLPWMAC-NRFANRHFSA-N 533.551 2.192 0 40 KEAB Cn1c(=O)c2cc(C(=O)Nc3ccc4c(c3)oc3ccc(S(=O)(=O)N5CCOCC5)cc34)ccc2n(C)c1=O 102451932 SVCKCQIYHSOBLT-UHFFFAOYSA-N 548.577 2.410 0 40 KEAB COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 104847256 SUENBDLQORXVMC-YULOIDQLSA-N 545.592 2.471 0 40 KEAB C1CC[C@H](OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@@H]2CCCCO2)OC1 150695913 KQTDEIPVSPHYFD-ZRKBJOGQSA-N 891.099 2.322 0 40 KEAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1 223256505 CJBBYPGODVCUKK-VWLOTQADSA-N 524.643 2.238 0 40 KEAB COc1cc(C(=O)O[C@H](C(=O)NCc2ccco2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O 409379538 XMWHNJZFVGKSEB-LOSJGSFVSA-N 613.528 2.299 0 40 KEAB O=S(=O)(c1cc(Br)ccc1Br)N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 2630953 SKSXKOGLNLAARQ-CVEARBPZSA-N 542.290 2.074 0 40 KEAB CCN(C(=O)CSc1nc2cc(C(=O)O)ccc2c(=O)n1-c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 3392313 QMEGPHSCVJXNRD-OAHLLOKOSA-N 519.576 2.351 0 40 KEAB COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC 6905006 WZILGTYUKSLNKC-OAQYLSRUSA-N 543.602 2.001 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)n4ncc(Cl)c4C)[C@H]3SC2)s1 8715735 XYRPGPNXVVZDQD-YYDSMBMDSA-N 515.042 2.097 0 40 KEAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 11867016 NRWWDWSXURLFSF-PBBNMVCDSA-N 541.645 2.209 0 40 KEAB C[C@H](OC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 12546995 XXSWJVNFPOWIDS-FZBXERKRSA-N 529.615 2.128 0 40 KEAB CSCC[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C)C(=O)O 12882291 AYAWCROTMRTKRY-IOVBKTKQSA-N 520.611 2.465 0 40 KEAB biogenic CCCCc1c(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 15106316 GWEMRCQAGCTKMY-UHFFFAOYSA-N 506.588 2.333 0 40 KEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[nH]2)C1 15907286 HETXXOBAIHMSLW-SFHVURJKSA-N 522.587 2.226 0 40 KEAB COc1cc(C(=O)NCCCN2CCOCC2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC 22254717 VVFMPMBZCIWVEI-UHFFFAOYSA-N 509.600 2.261 0 40 KEAB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CC(=O)O)C(=O)[C@@H]54)[C@H]23)ccc1O 256041275 HUJWUIISPQBVIH-DWJSDNTJSA-N 502.570 2.099 0 40 KEAB CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C(=O)C2CCC2)CC3=O)CC1 958317839 RNXCIHLDDJQBMI-ZEQRLZLVSA-N 508.663 2.393 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C\c3cccc(OC)c3)c2=O)=C(C(=O)OC(C)C)[C@H]1c1cccc(OC)c1 1822889 YDSZDSBVFMOZDF-BHJKQYKASA-N 550.633 2.346 0 40 KEAB CCCCn1c(N)c(N(CC)C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)c(=O)[nH]c1=O 3441521 MNWSGALYCKHBDW-UHFFFAOYSA-N 519.558 2.390 0 40 KEAB CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1 5249519 YKPKXXLFFFVROW-BKKFENPESA-N 558.536 2.427 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 97979401 QHGLMWONORAEEX-UKTHLTGXSA-N 579.697 2.242 0 40 KEAB COCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222777791 WXAYPPXSPAHFGN-HXUWFJFHSA-N 568.092 2.310 0 40 KEAB C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 224408512 CZEBFXXBXMBBIQ-SFHVURJKSA-N 527.640 2.350 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 224472620 HOZQYFVGTSLRCB-UHFFFAOYSA-N 586.132 2.098 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1 226082846 JZXOQMYHNVCSNQ-QGZVFWFLSA-N 544.493 2.253 0 40 KEAB Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@H]3CCOC3=O)c2)c(=O)n(-c2ccccc2)n1C 6132045 MNLOJYFFYXOKBW-SFHVURJKSA-N 505.936 2.411 0 40 KEAB N=C(N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 14951187 TVMJSGGZULFVCZ-DEOSSOPVSA-N 529.645 2.051 0 40 KEAB in-vitro O=C(Oc1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 33355349 ZJILHJXQAGRGFQ-UHFFFAOYSA-N 616.670 2.167 0 40 KEAB O=C(NCCN1CCOCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223008738 REICOAQGLREALU-YTTGMZPUSA-N 650.798 2.175 0 40 KEAB CC1=C[C@H]2O[C@H]3C[C@H]4OC(=O)C=CC=C[C@H]([C@@H](C)O)OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@@]4(C)[C@@]31CO1 299888541 NSFWWJIQIKBZMJ-YERHHXJSSA-N 532.630 2.393 0 40 KEAB CN(C)c1cccc(OCC(=O)N2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)c1 585284585 LXZDTMBLZXOLEY-MHZLTWQESA-N 515.582 2.196 0 40 KEAB CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(F)cc2)CC(=O)N2CCC[C@H]2C(=O)N1 643565878 RADXLHIYMOCQJT-ZODMCCGTSA-N 568.646 2.424 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O 643575814 LVXJQUWWUWYOAD-IMKBVMFZSA-N 740.902 2.481 0 40 KEAB CC1(C)CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O[C@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 1857789590 KAYMPWXMHIUNGC-AQMJVGHYSA-N 766.966 2.494 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC 6601639 VQRKOSIRACARPM-JOCHJYFZSA-N 555.613 2.299 0 40 KEAB CCOC(=O)C1=NO[C@H](CNC(=O)C2=NO[C@H](CNC(=O)c3c(-c4ccccc4Cl)noc3C)C2)C1 8666976 JGYBLEIUOMVEGQ-KBPBESRZSA-N 517.926 2.002 0 40 KEAB O=C(NC[C@H]1CCCO1)[C@@H](c1ccncc1)N(Cc1cccs1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 17414104 WOWILPFOCUFWOT-NTKDMRAZSA-N 554.650 2.353 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N 38144974 DLMDLMCQPMCULS-IERDGZPVSA-N 541.561 2.375 0 40 KEAB Cc1nnc(SCC2=C(C(=O)NCC(C)C)N3C(=O)[C@@H](NC(=O)c4nn(C)c(C)c4Br)[C@@H]3SC2)s1 97948737 FERIOYUHJMCVNV-QRWLVFNGSA-N 600.590 2.483 0 40 KEAB COc1cc(OC)cc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)c1 97996392 FYBGGRWQWAGYNZ-DNTJNYDQSA-N 513.528 2.015 0 40 KEAB COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1OC 225687525 DHMBOACWQOEGIO-IBGZPJMESA-N 505.637 2.454 0 40 KEAB CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C 253476355 AGBCLJAHARWNLA-UIMXLEGFSA-N 785.025 2.147 0 40 KEAB biogenic,in-vitro CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253500656 HUSISCNTLUEZCN-CJVGBQSPSA-N 514.656 2.297 0 40 KEAB biogenic,in-vitro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n1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 408596574 RTYULHAJGJBTLF-IBGZPJMESA-N 513.576 2.287 0 40 KEAB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](c3ccc(O)cc3)N3CSC(=S)N(C(C)C)C3)[C@@H]2SC1 5837664 RLLDJYRKFNTHPT-MDYRTPRTSA-N 522.674 2.151 0 40 KEAB COc1ccccc1OCCn1c(=O)c2cc3c(=O)n(CCOc4ccccc4OC)c(=O)c3cc2c1=O 8846308 IERPWYOTUVVJNQ-UHFFFAOYSA-N 516.506 2.088 0 40 KEAB Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2ccco2)C(=O)N2CCN(C(=O)c3ccccc3C)CC2)cc1 12374400 PTROKCXRUUWLDH-XMMPIXPASA-N 509.584 2.411 0 40 KEAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)C2=O 13095530 APNSRDLRKVCBAA-LHSJRXKWSA-N 517.073 2.371 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1 54313850 DNDNVEBKSDJSPY-OAQYLSRUSA-N 503.525 2.183 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2cccc3ccccc23)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 101462270 QMXHRZRGBPKKEW-QCCYXRBGSA-N 532.571 2.209 0 40 KEAB Cc1cc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1N1CCCC1=O 224318214 RALBWDBVCARLAF-UHFFFAOYSA-N 507.634 2.264 0 40 KEAB COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 224368187 TZVYVDVYYIWJCR-IBGZPJMESA-N 539.676 2.220 0 40 KEAB CC/C(C)=C\CC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@H]3C[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@@H]4O)[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@H]12 263637963 QOVKKEKBURQILF-PPMXTWCUSA-N 785.025 2.147 0 40 KEAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)c1 408661481 VYPOMCWQJPVBSW-INIZCTEOSA-N 502.321 2.327 0 40 KEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408725921 QWALCLKKLNRDSD-LBVMUVSTSA-N 503.646 2.055 0 40 KEAB COC(=O)Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc5c(c4)n(C)c(=O)n5C)c(=O)n32)cc1 409090913 NPXOYLHYOZNLBY-ARLGEPFESA-N 574.659 2.093 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCC(N)=O)c(I)c3)C2=O)o1 409399975 MNCMHRBKYNIMHE-MLPAPPSSSA-N 651.151 2.232 0 40 KEAB C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2[C@]1(C)O 1903857770 LARPFJIXBULVPK-VZJDQNSYSA-N 650.850 2.435 0 40 KEAB biogenic COc1ccc(N2C(=O)[C@@H](CC(=O)NCCc3ccccc3)N(NC(=O)c3cccnc3)C2=S)cc1 720777 ZDEWEABPSKLAHM-JOCHJYFZSA-N 503.584 2.486 0 40 KEAB Cc1ccc(NC(=O)CN2CCc3cc4c(cc3C2)OCCCO4)cc1S(=O)(=O)N1CCOCC1 9348683 FKKIIYMVLHCIPO-UHFFFAOYSA-N 501.605 2.174 0 40 KEAB CCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1OCC 12871762 HIQOWLBJJOVZEG-UHFFFAOYSA-N 503.621 2.309 0 40 KEAB CC[C@H](CCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1 76945095 PWKRIVHAEAYCHH-ZZSJJJAJSA-N 561.749 2.235 0 40 KEAB in-vitro CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 100072506 NWOGROLFEFUITG-RKFAPSRVSA-N 576.526 2.419 0 40 KEAB O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 408830375 MLGBYDXHBCSGDB-MHZLTWQESA-N 568.721 2.095 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409166913 GCJLFIWRKGLQDY-FABFSAKGSA-N 664.781 2.367 0 40 KEAB O=C(CSc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1)Nc1ccc(N2CCOCC2)cc1 409390280 KMJDUEQZQBCRER-UHFFFAOYSA-N 507.620 2.441 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O[C@@H]4CC[C@@]5(C)[C@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]56C)C4(C)C)OC[C@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1903869823 VQQGPFFHGWNIGX-CCVGDIOKSA-N 897.109 2.373 0 40 KEAB CCOC(=O)/C=c1\s/c(=C\c2ccc(OC)c(OCC)c2)c(=O)n1CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 12634054 RWDMKFHQXCSUST-XUFJONNESA-N 516.660 2.430 0 40 KEAB COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)cc1 12716107 YEXNWAHYDOSDOY-UWJYYQICSA-N 527.603 2.413 0 40 KEAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(CCCN2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1 38145861 KTDXEJQXZDRABD-HSZRJFAPSA-N 542.706 2.487 0 40 KEAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCC(=O)N[C@H](C(=O)NC[C@H]4CCCO4)C(C)C)ccc23)cc1 70712359 DWLPWAMBAGMZAI-MNNSJKJDSA-N 565.623 2.400 0 40 KEAB biogenic NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCc2ccco2)cc1 98049281 VQKLGBLLJIFGLW-UHFFFAOYSA-N 583.692 2.185 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 100262688 OAWZKGAXHDSTMB-FAUWUSJQSA-N 538.578 2.279 0 40 KEAB CCOC(=O)[C@H](CCc1ccccc1)N[C@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)O 202760873 WEPXGLCNGPXOQG-AABGKKOBSA-N 529.556 2.434 0 40 KEAB Cc1ccc2c(c1)O[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)CN2S(=O)(=O)c1ccccc1 224246015 ZFGQSDVKUYMCKG-VWLOTQADSA-N 559.666 2.397 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(Br)c1 224288346 PVRQNNDUCBGYKU-UHFFFAOYSA-N 560.492 2.195 0 40 KEAB CN(C(=O)CCCn1c(C(F)(F)F)nc2ccccc21)[C@@H]1CCC[C@@H](n2cnc3c(=O)n(C)c(=O)n(C)c32)[C@@H]1O 257240152 HSGGLBFGFATCQG-DBXWQHBBSA-N 561.565 2.196 0 40 KEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408725911 QWALCLKKLNRDSD-BZRIBIQUSA-N 503.646 2.055 0 40 KEAB COc1cccc(CCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c1 643576416 XTSJMDYAYOKBEP-WSZLSEGOSA-N 671.795 2.310 0 40 KEAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(C)cc2OC)CC(=O)N[C@H](CC(C)C)C1=O 643578622 AVBQZIXOWCEYES-BJKOFHAPSA-N 582.698 2.459 0 40 KEAB COc1cccc(-c2ccc3c(c2)OCCC2(CCN(Cc4csnn4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 1548890998 VLCWFQLQHVTHDH-VWNXMTODSA-N 599.735 2.271 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 26111192 WHJJQINLDDAYDI-FQEVSTJZSA-N 501.605 2.169 0 40 KEAB CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)O 70699824 AMOOGUCKQWDTFG-VABKMULXSA-N 522.602 2.230 0 40 KEAB biogenic O=C(OC[C@@H]1[C@@H](COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1(Cl)Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 97983162 BKMZEHIFLMRIJH-DNQXCXABSA-N 677.581 2.162 0 40 KEAB COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)ccc1-n1cnnn1 100337454 KMFNRTYGVYFDHW-CCLHPLFOSA-N 571.598 2.387 0 40 KEAB COCCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224884547 GVEOEAYZZXHJMT-UHFFFAOYSA-N 505.593 2.409 0 40 KEAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1 260722644 RCGCZBDUYOVVGR-XMMPIXPASA-N 513.616 2.436 0 40 KEAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)Oc3ccccc32)cc1 260885941 BDPQHDAHGBPHEG-RUZDIDTESA-N 575.665 2.097 0 40 KEAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3cc(OC)cc(OC)c3)C2)cc1 408659892 SZCFFKPXEIDDSX-LJQANCHMSA-N 541.557 2.336 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 409115859 LFKOJRBPEFAUEC-JDSGXEOOSA-N 549.605 2.171 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccccc1OC 409160870 XPWFYNOYTPMZON-AHQATDLNSA-N 604.729 2.350 0 40 KEAB Cc1nonc1CC(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3 1615109235 YPHYFDNVCBRIGP-GIFXNVAJSA-N 535.645 2.128 0 40 KEAB CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2I)cc1 678976 HCQFGOSUEMUEIQ-UHFFFAOYSA-N 503.343 2.243 0 40 KEAB C[C@]1(Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(=O)O)oc3c2)O[C@](C)(CO)[C@@](C)(O)[C@@](C)(O)[C@@]1(C)O 5222561 YGFZTYGCKCRFHN-JPHCZMGXSA-N 572.563 2.059 0 40 KEAB biogenic CC(=O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)c1ccc(O)cc1)C[C@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@@]12O 5662895 IMRGSWAJVVVYOW-JKQFXQLUSA-N 500.588 2.401 0 40 KEAB biogenic COc1ccccc1N1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C[C@@H]2CCCO2)CC1 6177012 BVMNYEXTYXUNSH-AFMDSPMNSA-N 545.600 2.343 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1)OCO3 6444916 KQHCHJIFKGTQLS-CJFMBICVSA-N 533.564 2.473 0 40 KEAB CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)O 12865151 KQVDNWJMACTHOH-YYWHXJBOSA-N 527.709 2.249 0 40 KEAB biogenic Cc1c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cnn1C(F)F 102350176 XXYRPCSHKMMPPH-UHFFFAOYSA-N 539.565 2.364 0 40 KEAB CCOc1ccc(NC(=O)CN(C)C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1OCC 103044519 RWLQQOSYNLMSQN-UHFFFAOYSA-N 549.646 2.153 0 40 KEAB COc1ccc(N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 104614353 HTFQAFHFTRCDRK-UHFFFAOYSA-N 535.600 2.194 0 40 KEAB CC(=O)[C@]1(O)CC[C@@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)c3ccc(O)cc3)[C@]12C 118930097 IMRGSWAJVVVYOW-PFAYSIIVSA-N 500.588 2.401 0 40 KEAB biogenic CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 223256669 XPCAIWJBASXNML-XMMPIXPASA-N 519.664 2.069 0 40 KEAB C[C@H]1O[C@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253499633 LTMHDMANZUZIPE-JFNKFQABSA-N 780.949 2.218 0 40 KEAB CN1CCN(C(=O)C[C@H]2CN(C(=O)CCN3CCCC3=O)CC[C@@H]2Oc2cccc(Br)c2)CC1 257234578 GUFIXAUAWBTBHL-UGKGYDQZSA-N 535.483 2.222 0 40 KEAB Cc1cccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1 260890633 PTDUHRWDZHFJFH-LJQANCHMSA-N 509.650 2.129 0 40 KEAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 409360939 PBICBPPBQDUHMV-UHFFFAOYSA-N 508.604 2.431 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3cccc(F)c3)CC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 585282040 GDHAOWVRCZZRTH-MHZLTWQESA-N 537.579 2.036 0 40 KEAB COc1ccc(-c2nc3s/c(=C\c4ccc(-c5ccc(S(N)(=O)=O)cc5)o4)c(=O)n3n2)cc1OC 2383451 TVVPDARIYOAYLZ-NDENLUEZSA-N 510.553 2.290 0 40 KEAB CCOC(=O)[C@H](Cc1ccc(OC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 4016487 GAGZBZLMVJQLLZ-RDPSFJRHSA-N 628.679 2.138 0 40 KEAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20032416 FPCKANYQPRRHOL-UHFFFAOYSA-N 521.661 2.387 0 40 KEAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)CC2)c1 22523484 GFUJANCFHMHOAP-UHFFFAOYSA-N 505.662 2.376 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 59838210 VJMNJLZRNVFCON-SANMLTNESA-N 557.694 2.222 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 70672398 NWOGROLFEFUITG-VNFNVIIVSA-N 576.526 2.419 0 40 KEAB O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 97674624 BPRBHHBMPFXFRQ-XSFVSMFZSA-N 519.576 2.313 0 40 KEAB CCOC(=O)c1ccc(CNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)o1 98007374 GPHZSDGBLLAPBH-UHFFFAOYSA-N 546.005 2.314 0 40 KEAB c1cc2cc(c1)CNCCN1CCNCc3cccc(c3)CNCCN(CCNC2)CCNCc2cccc(c2)CNCC1 136193871 FQRVANUKVUBLEF-UHFFFAOYSA-N 598.884 2.256 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 224406645 QMAGCVDNWGXJBO-UHFFFAOYSA-N 521.661 2.455 0 40 KEAB COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1OC 224436450 YNGNRGICWWWWHV-UHFFFAOYSA-N 619.718 2.115 0 40 KEAB CCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCCCCOc2ccccc2C(=O)N1 1615153330 CROKXRWCJZIWMK-ZEQRLZLVSA-N 522.646 2.498 0 40 KEAB CC(=O)N[C@@H](C(=O)N1CC[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3)C(C)C 2037829067 XUUUAUDRNRZKFN-LGTXBLIGSA-N 552.716 2.355 0 40 KEAB COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccc4c(c3)OCCO4)[nH]c2=O)cc1OC 2712621 RJSJNOGADFPUKC-UHFFFAOYSA-N 513.532 2.124 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CCCO)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1 7060476 LCWUVIPVWGUSGJ-XMMPIXPASA-N 510.570 2.499 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](C)n4cc(Cl)c(C)n4)[C@H]3SC2)s1 9974935 OMERHHWMZXXOBP-JIYNIHLBSA-N 515.042 2.097 0 40 KEAB COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(C(C)C)cc3)CC2)c1 20803079 BWLRIKNREFFGPJ-VWLOTQADSA-N 507.635 2.296 0 40 KEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)CC1 32738693 TZHGYNDGGWTMJJ-GOSISDBHSA-N 502.589 2.464 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70672395 NWOGROLFEFUITG-IEAFHPEVSA-N 576.526 2.419 0 40 KEAB Cc1nc(C)c(NC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1NC(=O)Nc1cccc(S(N)(=O)=O)c1 102928403 JGFGONXQZIXVKM-UHFFFAOYSA-N 533.592 2.281 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC 409160421 WZLJBJNFZNTUDT-FJSZTYFPSA-N 621.712 2.443 0 40 KEAB CC1(C)NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O 643568018 GBQLNFDNCFKGHG-DGPALRBDSA-N 641.769 2.338 0 40 KEAB O=C(NN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(NC(=O)c3ccncc3)C4=O)cc2C1=O)c1ccncc1 4065234 VSSAPSWFVPREBW-UHFFFAOYSA-N 532.472 2.026 0 40 KEAB CCOC(=O)Nc1ccc2c(COC(=O)CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc(=O)oc2c1 12635081 YJIHSOBMJMONDK-UHFFFAOYSA-N 517.516 2.342 0 40 KEAB COc1ccc(CCn2c(=O)[nH]c(O)c([C@@H]3c4cc(OC)c(OC)cc4CCN3C(C)=O)c2=O)cc1OC 12661575 UYNKLYCUFZZAKN-DEOSSOPVSA-N 525.558 2.013 0 40 KEAB biogenic O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCC1)Cc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 12709139 VEHRJVSUPPUCRC-BHVANESWSA-N 517.579 2.329 0 40 KEAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)CC2)c1C 95568164 OBPJYWBHGWHMCG-UHFFFAOYSA-N 553.678 2.227 0 40 KEAB CCn1cc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 103071454 WVSMLPAZDRQNRV-VGOFRKELSA-N 557.623 2.390 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 223163988 ZNNZXBCMNLKUII-UHFFFAOYSA-N 537.660 2.072 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 223995193 IYRUKBARWZXWNN-HXUWFJFHSA-N 504.653 2.478 0 40 KEAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCN(C)CC1 225491900 ILTHHOIZWKGVLB-UHFFFAOYSA-N 538.667 2.110 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O 245285881 ZFKVWNUPWMEURA-KVFWAJHPSA-N 557.552 2.079 0 40 KEAB NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccc(Cl)cc2)cc1 408541649 CPCXRGGBHOYPPS-UHFFFAOYSA-N 523.040 2.131 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCn3cc(C)cn3)c2)C[C@](O)(COc2ccccc2)C1 585279660 FLBLGEPAOCLMJK-MUUNZHRXSA-N 508.619 2.371 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOC[C@@H]2CCCO2)CCC(=O)N[C@@H](CC(C)C)C1=O 643584814 KNKNJBPQOWEJET-RNXOBYDBSA-N 588.746 2.429 0 40 KEAB Cc1nn(C)cc1NC(=O)CN1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3 1615126595 LLYAOFGALBWEEG-UODIDJSMSA-N 562.715 2.348 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)CCn4nc(C)c(Br)c4C)[C@@H]3SC2)s1 2786102 GRQGINJLBIEVPX-PBHICJAKSA-N 573.520 2.343 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 8444610 PXIJZJVEVQATSG-YOURIZNBSA-N 506.536 2.298 0 40 KEAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2)C[C@@H](C)O1 8686830 NSUYAXUBKNNXTB-IAGOWNOFSA-N 531.616 2.328 0 40 KEAB NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N 12473370 CQOMPQLLTKZIAZ-BEFAXECRSA-N 501.540 2.235 0 40 KEAB COC(=O)c1cc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[nH]c(=O)c32)cc(C(=O)OC)c1 40400415 CVGDVEGYWOSCPE-KRWDZBQOSA-N 505.487 2.460 0 40 KEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 59852178 YSWPYQJFKURNGR-UHFFFAOYSA-N 572.105 2.231 0 40 KEAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C 102777465 IDCKTRODCIBZFI-QHCPKHFHSA-N 542.029 2.490 0 40 KEAB CCOC(=O)c1c(NC(=O)COC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)sc(C(C)=O)c1C 103115443 DLYPJXFTKHIERP-VWLOTQADSA-N 527.555 2.311 0 40 KEAB CS[C@H]1O[C@@H](c2ccc(C)c(Cc3ccc(CCCC(=O)NC(C)(C)C(=O)NCCN(C)C)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O 209329409 BNPZTRDIESRGTC-IXYVTWBDSA-N 601.810 2.324 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 223388941 CAKWMVBORUNBJD-FQEVSTJZSA-N 507.609 2.032 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 224479143 GDYWNYXQFBULEP-UHFFFAOYSA-N 505.612 2.254 0 40 KEAB CC(C)C[C@@H]1OC(=O)[C@@H]2CCCN2C(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O 253388173 RPJBXUNEXVNBIF-ULWBFFEXSA-N 655.837 2.149 0 40 KEAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)Oc3cc(C)ccc32)cc1 260892538 ZPKCEIFPQJALHH-MUUNZHRXSA-N 631.729 2.176 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)cc1OC 408971546 ILXHVHFYFPZEHD-UHFFFAOYSA-N 503.621 2.462 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6547121 ZXDKWEZLTZHOJO-FQEVSTJZSA-N 529.550 2.039 0 40 KEAB COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCN(c4ccccc4)CC3)[nH]c2=O)cc1OC 9489625 GOSJXFYXUPIDTI-UHFFFAOYSA-N 524.603 2.063 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1C 20030970 SGECKQRRTWHODJ-UHFFFAOYSA-N 517.629 2.158 0 40 KEAB Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)c1 20031605 IDUVUCDSLYARDM-QHCPKHFHSA-N 515.657 2.465 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(c2ccccc2OC)CC1 20084040 HCJNSEDOAGANGN-XMMPIXPASA-N 505.579 2.090 0 40 KEAB Nc1c(I)c(N)c(I)c(C(=O)O)c1I 72131175 GOQCZMZLABPEME-UHFFFAOYSA-N 529.841 2.363 0 40 KEAB in-vitro COC(=O)CCC[C@H]1[C@@H]2SC[C@@](NC(=O)c3ccccc3)(C2=O)[C@@]2(O)[C@@H](NC(=O)c3ccccc3)CS[C@H]12 100861795 KRLFWXIDUTYSLM-OZIHNNHMSA-N 554.690 2.458 0 40 KEAB O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(Cl)c5)c4n3)CC2)cc1)N1CCOCC1 150445085 ZZRRTIPZZBJQBN-UHFFFAOYSA-N 634.140 2.218 0 40 KEAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)c1 409177445 FBBNNIKZUWAAMU-UHFFFAOYSA-N 531.568 2.288 0 40 KEAB C[C@H]1COCCCCC2(CCN(C(=O)Cc3ccc4c(c3)OCCCO4)CC2)C(=O)N[C@@H](C)C(=O)N1 643564174 RROLFIPGDSXLIV-PMACEKPBSA-N 501.624 2.209 0 40 KEAB CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(OC)cc2[nH]c1=O 927681 MOGCOKZQGQOCJL-UHFFFAOYSA-N 536.589 2.348 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 2049516 KQIAHMAJIDFFKJ-XFOXHJFNSA-N 568.604 2.288 0 40 KEAB O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)N1CCc2ccccc2C1 3247826 BXEXSUFGYLRTIG-UHFFFAOYSA-N 500.602 2.435 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OC)c(OC)c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1CC 6860581 WSCRCMWQGDXLDO-QHCPKHFHSA-N 569.640 2.471 0 40 KEAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 20032235 XDQPWUYYCJHVRY-MRXNPFEDSA-N 516.041 2.103 0 40 KEAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59837368 GKAZGCIYZGBGFJ-UHFFFAOYSA-N 543.667 2.215 0 40 KEAB CCOC(=O)c1c(NC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)sc2c1CCCC2 100084819 VBXTZRIJUOTCTN-DUXKGJEZSA-N 541.575 2.100 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(=O)[nH]c1=O 103024725 SKUCPNPAJZTCCD-UHFFFAOYSA-N 549.694 2.123 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 222808874 RCVHCRNWOSXOPQ-QGZVFWFLSA-N 505.593 2.133 0 40 KEAB CC(C)OC[C@@H](O)CNC(=O)CN1c2cncc(c2)C(=O)N(CC(=O)NC[C@@H](O)COC(C)C)CCCCCCOc2ccccc21 643585229 TWPRSDMFHYJIIH-WDYNHAJCSA-N 657.809 2.419 0 40 KEAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 19940747 ANGZKXKIXWDOTK-RDPSFJRHSA-N 517.590 2.396 0 40 KEAB CC(C)CN(C(=O)COC(=O)COc1ccc2c(c1)CCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23079718 NEGVQXCRERUDMA-UHFFFAOYSA-N 520.586 2.267 0 40 KEAB CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)Cc1ccc(OC)cc1 32766739 STWWNIQTELCJNJ-UHFFFAOYSA-N 519.620 2.287 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1OC 59838733 MJXKPQHJVBMTCG-HXUWFJFHSA-N 551.687 2.205 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 101511232 YJRVQDXLVIHSPY-BLJGQIRFSA-N 581.647 2.078 0 40 KEAB O=C(NCCO)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223437886 IEDMBCKDEGOOSJ-NDEPHWFRSA-N 585.654 2.104 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(I)cc1 224293820 NVFMMOUSSAOBKF-UHFFFAOYSA-N 607.492 2.037 0 40 KEAB C[C@@H]1CC[C@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 257591134 WBDDWIKJZNNKBQ-UWRONHPDSA-N 766.966 2.492 0 40 KEAB biogenic,in-vitro Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CN(C(=O)CCn3ccnc3C)CCO2)ccc1Cl 585283319 DFTXVBIWZICJEL-RUZDIDTESA-N 505.015 2.469 0 40 KEAB CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CN(C)CC2(C)COC2)CCCCOC[C@@H](O)[C@H]1O 643586714 VDSOAZNUYRNXQT-FLKHEUMLSA-N 595.753 2.027 0 40 KEAB O=C(CN1CCC[C@@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)NCc1cccc(F)c1 2037879669 KNJKEYNWICWQEW-NDEPHWFRSA-N 508.594 2.409 0 40 KEAB CS(=O)(=O)c1ccc2nnn(OCC(=O)Nc3ccc(Br)cc3Br)c2c1 3395480 SJVKMHXGVUEMGN-UHFFFAOYSA-N 504.160 2.427 0 40 KEAB CCOC(=O)C[C@@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCC 5030812 VHOLNZGLSZSAPU-FGZHOGPDSA-N 528.558 2.416 0 40 KEAB Cc1ccc(NC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)cc1S(=O)(=O)N1CCOCC1 12901411 IASQOINFSDNJIK-UHFFFAOYSA-N 518.588 2.290 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccccc1OC 13133350 PBURDTQAZNNQHP-JPFXZVHCSA-N 508.552 2.270 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]45)[C@@H]32)cc(OC)c1O 101174962 ROLCDTGTILUQPA-CGWWMMIBSA-N 532.596 2.107 0 40 KEAB O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5Cl)c4n3)CC2)cc1)N1CCOCC1 150373224 CNCBUSQLYYBHGG-UHFFFAOYSA-N 634.140 2.218 0 40 KEAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223133825 GSROHUFEHUNPCE-LJQANCHMSA-N 510.012 2.431 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409032014 ILVOUGVXUTVZNL-FTNPTUMPSA-N 706.799 2.381 0 40 KEAB CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)NCCCOc3ccccc3C(=O)N2)cc1OC 643566439 YJABGMNOOZVCMM-NEKDWFFYSA-N 582.698 2.371 0 40 KEAB Cc1nn(CCNC(=O)[C@@H]2CC(=O)NC3(CCCC3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c(C)c1C 643576648 ZIABNZIOXCTQGN-KYJUHHDHSA-N 685.826 2.168 0 40 KEAB COC(=O)C1=c2s/c(=C\c3cccc(OC)c3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1cccc(OC)c1 1788613 GNFZEPVGTQAPIK-ZBDCHNAPSA-N 590.679 2.436 0 40 KEAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 22869337 XDCKYQXJRARDBJ-AJTFRIOCSA-N 559.627 2.338 0 40 KEAB NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1N 38145026 DYJJFPSUVYVPTC-WIYYLYMNSA-N 527.578 2.348 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)o1 245230494 SVWIVWPCVNQXMN-FGSXEWAUSA-N 514.608 2.347 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O 245380433 ZDQWBWOFDJWWJQ-ZFIHGSKBSA-N 522.602 2.058 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)C1 260752234 XVISROSATOYGCJ-KRWDZBQOSA-N 530.068 2.152 0 40 KEAB C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O[C@H](C)[C@@H](C(=O)O)[C@@H]5N=C(C(=O)O)[C@@H](S[C@@H]6CN[C@H](C(=O)Nc7cccc(C(=O)O)c7)C6)[C@@H]5C)c4)C3)[C@H](C)[C@H]12 1569992302 CLTRZTBUDCDKTQ-MZNFTVPZSA-N 951.046 2.202 0 40 KEAB COCCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 6905073 APVGTCCEFZQZJR-IBGZPJMESA-N 501.540 2.123 0 40 KEAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 32957561 GBQMBTMPFICXLQ-SFHVURJKSA-N 523.633 2.100 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1Cl 59838847 KBHUTEJYUPGZNE-HXUWFJFHSA-N 586.132 2.477 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4c(F)c(F)cc(F)c4F)o3)[C@H]2SC1 102101477 MRBOWIFEJAPYPE-IIBYNOLFSA-N 544.435 2.330 0 40 KEAB COCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 222744042 PUTFSQSZPAITMC-SANMLTNESA-N 553.637 2.143 0 40 KEAB COc1ccc(C(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1S(=O)(=O)N1CCOCC1 222919483 LZYUIQBVRMCHNK-SANMLTNESA-N 565.648 2.483 0 40 KEAB CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4cccs4)C[C@H]3C(=O)NC[C@H]1O2 253397233 FKNNRTBDBHPROO-PJGWKRMOSA-N 526.659 2.026 0 40 KEAB O=C1C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccccc2)N1 643566547 RWCRZHZGWCQDLG-UIOOFZCWSA-N 542.636 2.160 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](OC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1083805725 UGQPZVSWEMKXBN-SFYPHWOPSA-N 657.625 2.078 0 40 KEAB CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)c2ccccc21 2059887 CIDWNQHXLKUQMM-FEYWKWKCSA-N 531.590 2.460 0 40 KEAB CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccco2)cc1 6601073 FRZAHYCDSIGVJC-OXJNMPFZSA-N 513.576 2.499 0 40 KEAB COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1 12474071 LMRPFUXQWDNASC-GHTZIAJQSA-N 525.587 2.222 0 40 KEAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc3ncccn3)cc1)C2=O 12520839 PMAAAUKCNXZIJF-WNSKOXEYSA-N 500.581 2.353 0 40 KEAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12694490 WUAXZRNVECSOLX-UHFFFAOYSA-N 503.646 2.252 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccc(O)cc2)CC1)OCO3 35973844 XMHWMJUQFPAYDC-CJFMBICVSA-N 531.573 2.040 0 40 KEAB CCCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 102921054 RFPLVEMTFCDAGW-UHFFFAOYSA-N 538.070 2.437 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)N4CCOCC4)c(I)c3)C2=O)o1 409399523 JONGWWJEGKXJMX-BOPFTXTBSA-N 595.346 2.001 0 40 KEAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCS(=O)(=O)N3CCSCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 604405990 WFYIWDAIAMEHML-MBSDFSHPSA-N 648.804 2.158 0 40 KEAB biogenic COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC 643568702 DKXUZRRARUALMJ-NEKDWFFYSA-N 582.698 2.323 0 40 KEAB C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@]3(C)C(=O)C[C@]3(C)[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]43C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 1534688765 NSUQGQVHWQJWMJ-XJOUIVISSA-N 780.993 2.276 0 40 KEAB COc1cccc(CN2C(=O)N[C@@](NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)C2=O)c1OC 1868588 XKEWBOZUWGKEAA-JOCHJYFZSA-N 527.452 2.470 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)Cn4nc(C)c(Cl)c4C)[C@H]3SC2)s1 2809588 AOCKKLGPVFUIDD-SUGDGZHXSA-N 543.096 2.480 0 40 KEAB O=C(COC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)Nc1ccc2c(c1)OCCO2 13146234 LGKJCGSTJLFASH-XDHUDOTRSA-N 515.519 2.379 0 40 KEAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](CCSC)C(=O)O)CC1 13778128 IRPTXTYJPUGQSW-YYWHXJBOSA-N 527.709 2.249 0 40 KEAB CSCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC(=O)NC1CCCCC1 14359395 KTQGWFNJWMSCLQ-KRWDZBQOSA-N 506.046 2.442 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)cc1OC 38145721 OEROOPQPFFWHCS-BTYIYWSLSA-N 543.602 2.426 0 40 KEAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223220391 OCTIBZABRJUJJK-NDEPHWFRSA-N 581.691 2.481 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224486413 KXZVFIVJSIUHFT-HSZRJFAPSA-N 574.121 2.409 0 40 KEAB C[C@H]1O[C@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)[C@@H](O)C[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253498694 LKRDZKPBAOKJBT-LSSZOREYSA-N 780.949 2.218 0 40 KEAB biogenic C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253499634 LTMHDMANZUZIPE-LQROEJQOSA-N 780.949 2.218 0 40 KEAB COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 408652142 FKQYKXCUFMHIOR-CQSZACIVSA-N 509.437 2.398 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4Cc4ccccc4)NC3=O)O2)cn1 514287512 HQRUQKQIXWYCOJ-INWNYEGYSA-N 559.667 2.267 0 40 KEAB COc1cccc(OCC(=O)N2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)c1 585283908 IPRYBXJWYGVZLM-SANMLTNESA-N 502.539 2.139 0 40 KEAB CC(C)c1ccc2c(c1)OCCC1(CCN(Cc3ccncc3F)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O 1548891358 ZWRBMLZJWMWSLN-GGAORHGYSA-N 546.665 2.402 0 40 KEAB COc1cc([C@@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)c2snc(C(N)=O)c2N)cc(OC)c1OC 6906251 DKWSHZUPJSWIAS-IERDGZPVSA-N 561.661 2.271 0 40 KEAB CC(C)(C)SCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 15224790 XHXDNLQSNJYNTK-NRFANRHFSA-N 525.718 2.398 0 40 KEAB COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19972835 ZAVZASSMYTXLNH-VWLOTQADSA-N 517.590 2.105 0 40 KEAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1 59851856 FTPRIVVDQDYVSV-UHFFFAOYSA-N 575.665 2.212 0 40 KEAB COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C(C)C)cc1S(=O)(=O)N1CCOCC1 66167286 RHLVRJYBEALHND-NRFANRHFSA-N 546.067 2.311 0 40 KEAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OC 214660593 SDFZZRORFGAOTB-NTEUORMPSA-N 518.329 2.204 0 40 KEAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](C)C(=O)NCCCO)cc1 222950230 LUIKEULFYFBHCV-NRFANRHFSA-N 531.675 2.328 0 40 KEAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCSc2nc(C)n[nH]2)cc1OC 226011518 JLAKOTBYFVDEPO-UHFFFAOYSA-N 519.649 2.272 0 40 KEAB CC(=O)Oc1ccc(-c2coc3cc(O[C@H]4O[C@@H](CO[C@@H]5OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]5OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 257198421 PWNURKDPPRSGQU-YFUBHNJHSA-N 900.792 2.377 0 40 KEAB Cc1csc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)n1 643568996 IFUIJKYYUOFEGK-VXKWHMMOSA-N 557.717 2.461 0 40 KEAB CC(C)[C@H]1NC(=O)C(C)(C)NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643572792 ILSYVKYIDVNZMU-ALYLKEMTSA-N 667.779 2.112 0 40 KEAB O=C(CN1CCCCCOc2ccccc2N(CC(=O)N2CCC[C@@H](O)C2)c2cncc(c2)C1=O)N1CCC[C@@H](O)C1 643584609 HHAKOWFECJMGHD-CLJLJLNGSA-N 579.698 2.191 0 40 KEAB CCOc1ccc(CC(=O)N2CCC3(CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC(=O)N(C)C3)cc1 2037946892 RUMUWGPKAWQOBP-LOSJGSFVSA-N 510.631 2.442 0 40 KEAB C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C 2061000734 HDXIQHTUNGFJIC-XIRGYRRBSA-N 722.913 2.390 0 40 KEAB O=C(CCc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12)N1CCN(c2ncccn2)CC1 9831439 KFIWDAMWWYJAPH-UHFFFAOYSA-N 512.549 2.303 0 40 KEAB CCOc1ccccc1N(CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC)S(C)(=O)=O 20040372 JQQFZEZDCHKIJR-UHFFFAOYSA-N 511.622 2.283 0 40 KEAB COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20083416 RZVLVEFZXZXPTJ-SANMLTNESA-N 531.617 2.414 0 40 KEAB COC(=O)CCC[C@H]1[C@@H]2SC[C@](NC(=O)c3ccccc3)(C2=O)[C@@]2(O)[C@@H](NC(=O)c3ccccc3)CS[C@H]12 100020854 KRLFWXIDUTYSLM-RCDNWKRVSA-N 554.690 2.458 0 40 KEAB O=C1[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C(=O)N1C[C@@H]1CCCO1 101091473 CDWHTEMYCKNZLL-FHAWQSFUSA-N 526.387 2.297 0 40 KEAB COc1ccccc1N1C(=O)[C@@H](C(c2ccccn2)[C@H]2C(=O)NC(=S)N(c3ccccc3OC)C2=O)C(=O)NC1=S 104682297 ISZOEMJNYGPGGA-VXKWHMMOSA-N 589.655 2.311 0 40 KEAB O=C(OC[C@@H]1O[C@@H](n2cc[n+]([O-])nc2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 5372892 QKHVECNFTGXDFP-OJJQZRKESA-N 557.515 2.082 0 40 KEAB Cc1c(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(=O)n(-c2ccccc2)n1C 12595474 AQBQWLFWGUFGHG-QMTYFTJSSA-N 511.579 2.103 0 40 KEAB COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCN2CCOCC2)cc1 20064294 SAUOHVPUYBKBNN-NRFANRHFSA-N 514.579 2.275 0 40 KEAB COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N32)c1OC 20411711 NEVDWTDKDOATCA-NVQXNPDNSA-N 504.587 2.202 0 40 KEAB biogenic CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)N[C@@H](CSCC(=O)O)C(=O)O)CC1 70687261 JIORGIGPIRRFLK-SFTDATJTSA-N 576.672 2.230 0 40 KEAB biogenic Cc1cn2c(=O)c(C(=O)NC[C@H]3CCC[C@H](CNC(=O)c4cnc5sc(C)cn5c4=O)C3)cnc2s1 97990906 RSXIVQZMSHCQJV-HOTGVXAUSA-N 526.644 2.408 0 40 KEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@]4(CCS(=O)(=O)c5ccc(F)cc54)C3=O)cc2)C1 102895361 YAWHBVAIIYFWAS-VDYXTEHCSA-N 592.671 2.056 0 40 KEAB O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 103128055 YTKFBXOAKBFJQM-IBGZPJMESA-N 540.019 2.346 0 40 KEAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCC(N)=O 409207550 WPWFHYMRLWSMDE-HMAPJEAMSA-N 540.598 2.461 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=C(C(N)=O)[C@@H]1c1ccc(Cl)cc1 989136 BGXVQPAACRZHSG-ZFOVBUMHSA-N 516.406 2.169 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C/c1ccc2ccccc2n1 12546698 SSJJZBMJIOXYSI-DHZHZOJOSA-N 511.556 2.459 0 40 KEAB C[C@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 15319913 FVTZFOPRUPQXSV-KDRGKAGFSA-N 524.577 2.038 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Br)c3C3CC3)[C@@H]2SC1 102660876 CPXOKHOGWXQWHX-GZSXLKKWSA-N 581.367 2.405 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)CCCOc2ccc(Cl)cc2C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 195528838 LBSRZJUTWXANAX-AZCRNNOYSA-N 557.980 2.007 0 40 KEAB CC(C)=C[C@H]1OC[C@@H]([C@@H]2CC[C@]3(C)[C@H]4CC[C@H]5C(C)(C)[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]23C)[C@@H]1O 514287979 WVUZNNSUOXFJDU-HXFPXBDKSA-N 783.009 2.023 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 8399883 LVMHPRIXWLGHEH-YHHBSCGTSA-N 582.679 2.169 0 40 KEAB CCn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccncc1 13096047 LBVFMJCBIVHAOY-UHFFFAOYSA-N 502.622 2.420 0 40 KEAB CCOC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(OC)cc1)[C@H](CC)C(=O)NCc1ccc(F)cc1 100331206 KHMCTZOGJWABRL-HHSLBVOYSA-N 549.621 2.008 0 40 KEAB COC(=O)CCC[C@@H]1[C@@H]2SC[C@@](NC(=O)c3ccccc3)(C2=O)[C@@]2(O)[C@@H](NC(=O)c3ccccc3)CS[C@H]12 100861792 KRLFWXIDUTYSLM-WHGULKKLSA-N 554.690 2.458 0 40 KEAB C[C@]1(C2=NO[C@H]3C(=O)N(CCNc4ncc(C(F)(F)F)cc4Cl)C(=O)[C@H]23)NC(=O)N(c2ccccc2)N1 100913193 DAMQUONKPOZAGZ-ZSDSOXJFSA-N 537.886 2.356 0 40 KEAB O=c1nc2n(c(O)c1[C@H](c1ccc3c(c1)OCO3)c1c(O)nc3n(c1=O)CCCS3)CCCS2 102863755 OSVYAAHVMDRKNW-CQSZACIVSA-N 500.558 2.112 0 40 KEAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2c(OC)cccc2OC)C1 139062510 UUCUOEAITOJXNX-CYBMUJFWSA-N 505.911 2.041 0 40 KEAB CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c3ccccc23)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 216304975 AQBUEVUUOYUTIV-PJUKLUKMSA-N 547.538 2.043 0 40 KEAB COC(=O)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c2ccccc2O1 226074414 KQRNCLLQGQEKBM-JOCHJYFZSA-N 504.561 2.072 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 260737277 LXTSAKZACLMTTB-GOSISDBHSA-N 521.636 2.420 0 40 KEAB CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O 504624552 DCNCLUWIZKDKJI-FFYZIMEISA-N 599.062 2.279 0 40 KEAB biogenic Cc1ccc(-n2nc(C(=O)N3CCC4(CCCCn5cc(nn5)COCCNC4=O)CC3)nc2C)cc1 643563987 RKBRKIIVPKDKKL-UHFFFAOYSA-N 506.611 2.215 0 40 KEAB COc1ccc(OCCN(C)C(=O)[C@@H]2CCC(=O)N[C@@H](CCC(N)=O)C(=O)NCCCCCCCCCCC(=O)N2)cc1 643585317 YFSHXSIJEHIVQP-UIOOFZCWSA-N 603.761 2.188 0 40 KEAB CC1(C)CC[C@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 2037901732 RROGHRHLBLVQSG-MAGBVZICSA-N 766.966 2.494 0 40 KEAB COc1ccc2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)O)c(=O)oc2c1C 12879240 NZZFRBHRCPVNNB-VXKWHMMOSA-N 522.554 2.470 0 40 KEAB biogenic COC(=O)c1ccc(OC(=O)c2cc(=O)n(C)/c(=N/c3c(C)n(C)n(-c4ccccc4)c3=O)s2)cc1 15307583 WLYWSSGVLKBEAG-QPLCGJKRSA-N 506.540 2.483 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222820578 SVERTMDYTRVQAD-GOSISDBHSA-N 519.620 2.176 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224727208 JRMNVSIAEUWZMR-IBGZPJMESA-N 503.621 2.476 0 40 KEAB CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)C[C@H]3C(=O)NC[C@H]1O2 253402820 OVKMKPZTORMREP-GEMTWJNPSA-N 624.682 2.396 0 40 KEAB CS(=O)(=O)N(CCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCO2 408704005 IFMAFRQHBQGIKM-UHFFFAOYSA-N 503.577 2.035 0 40 KEAB C[C@@H](c1ccccc1)n1c(SC[C@@H](O)CO)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514379117 MCUBMTARZYPKME-PXNSSMCTSA-N 504.634 2.021 0 40 KEAB O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(Cc2ccncc2)CC3=O)CC1 958317919 ZZQDHUDHXUDPAQ-UIOOFZCWSA-N 531.657 2.188 0 40 KEAB Nn1cnn2c(SCC(=O)Nc3nnc(SCC(=O)Nc4ccc(Cl)c(Cl)c4)s3)nnc12 3668952 UJDUBXVULHYDPH-UHFFFAOYSA-N 531.436 2.260 0 40 KEAB COC(=O)[C@H](NC(=O)[C@@H]1[C@@H](NC(=O)Nc2cccc(SC)c2)CCN1C(=O)c1cccn1C)C(C)C 4201104 LVIWLOBKDHJCGZ-TYPHKJRUSA-N 515.636 2.466 0 40 KEAB biogenic,in-vitro CCN(C(=O)COC(=O)c1ccccc1OS(=O)(=O)c1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 12542550 NBWMQLQLJBCWKR-GOSISDBHSA-N 509.602 2.264 0 40 KEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 20674947 GUMZSJZIOAULLX-FGZHOGPDSA-N 514.554 2.380 0 40 KEAB COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)cc1 100366010 CASHJSQVMUWTCX-UHFFFAOYSA-N 577.623 2.261 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccccc1I 103113364 VSHZXYVNWDDMQM-UHFFFAOYSA-N 544.367 2.416 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C(=O)NCc2ccco2)cc1 222933986 JVQJKDHMMGOMKN-OAQYLSRUSA-N 571.652 2.422 0 40 KEAB CC(=O)Oc1ccccc1C(=O)O[C@@H](C)C(=O)OCCOC(=O)[C@@H](C)OC(=O)c1ccccc1OC(C)=O 263583724 VVKXTLBUVPMIFD-IYBDPMFKSA-N 530.482 2.414 0 40 KEAB COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)cc1OC 408598068 ZGXWEOWXLAUGNY-UHFFFAOYSA-N 502.593 2.007 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 408834423 ZQSXICOBWNHPEV-NYIUWGNGSA-N 538.578 2.279 0 40 KEAB O=C(N[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Br)C(Cl)(Cl)Cl 575421032 GFZQVUHIFVQXEC-IUCAKERBSA-N 593.530 2.142 0 40 KEAB O=C1N[C@H]2CCN(CC(=O)N3CCCC3)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1 2037879400 UWOICDOHQQSEQG-UODIDJSMSA-N 522.690 2.290 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OCC 6631464 DHJZJPWUEOBYQS-OAQYLSRUSA-N 543.577 2.429 0 40 KEAB CC[C@@H](C(=O)NC1CCCC1)N(CCN(CC)CC)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 6631712 VQEKKLHGZKHTPA-NRFANRHFSA-N 515.659 2.365 0 40 KEAB CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CC(C)C)C(=O)O 70705378 MFXUGJJKSMPANS-VABKMULXSA-N 554.669 2.327 0 40 KEAB biogenic CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCCCO)cc1 222792035 LSJVOBTZRGEBEA-SFHVURJKSA-N 510.056 2.487 0 40 KEAB O=C(CN1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 257216562 CVBRYZJKCDNOPO-VPUSJEBWSA-N 529.659 2.486 0 40 KEAB C[C@]1(O)COC2(CCN(C(=O)CCc3nc4ccc(Cl)cc4[nH]3)CC2)C[C@@H]1n1cnc2c(N)nc(N)nc21 257246964 IWTBBSSHIOMKNM-XDHUDOTRSA-N 540.028 2.227 0 40 KEAB CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O 643576151 QLNBMNGBDUMWPK-LYVYPOQBSA-N 675.758 2.276 0 40 KEAB CC(C)[C@@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O 4018379 DDPKKYGBOPCJOF-MEKGRNQZSA-N 720.820 2.365 0 40 KEAB CCN(C(=O)COC(=O)c1cc(NC(=O)c2cccs2)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 12541467 YGARDXRFEIGXMX-OAHLLOKOSA-N 510.590 2.210 0 40 KEAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2cccc(OC(F)F)c2)NC(=O)N[C@@H]1c1ccc(C)o1 12800001 QRWXIEMWFAYOPR-LJQANCHMSA-N 507.446 2.334 0 40 KEAB CCn1cc(C(=O)N[C@@H](CCSC)C(=O)N2CCC(C(=O)OC)CC2)c(=O)c2cc3c(cc21)OCO3 12895838 FAYRULNZHRRHFL-SFHVURJKSA-N 517.604 2.013 0 40 KEAB biogenic Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 19941599 LOKGKOMYDRFEHM-YKSBVNFPSA-N 517.590 2.451 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc2c(c1)OCO2 22533293 ZZQPLALXXOXASY-UHFFFAOYSA-N 504.546 2.016 0 40 KEAB CC(=O)OCC(=O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@@]4(O)C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@@H]3CC[C@]12C 35262763 ZTWWQCOHUBHIGI-VTQMRMOMSA-N 508.608 2.482 0 40 KEAB COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2ccco2)c1 38145777 WYEGINAKLHNBAR-RLWLMLJZSA-N 567.620 2.498 0 40 KEAB CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(=O)NCCCC(=O)O 70705773 ZBIZBROUWHRQBT-QMTYFTJSSA-N 573.643 2.212 0 40 KEAB biogenic CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224540189 HPIIJKGWQJJMGU-OAQYLSRUSA-N 519.620 2.176 0 40 KEAB O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)CCCOc3ccccc3F)CC2)CN1 643566905 ZELCNKSRYOMSMU-XZOQPEGZSA-N 514.594 2.457 0 40 KEAB CC1(C)CC[C@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 2037901733 RROGHRHLBLVQSG-YEJYASBHSA-N 766.966 2.494 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1N 6445383 LHPPUIMZSHLSJJ-NRFANRHFSA-N 522.587 2.437 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 8407011 KGPGRIRIXKHZJN-YKWODGTOSA-N 729.816 2.466 0 40 KEAB COc1cc(/C=C/C(=O)OCC(=O)NC(=O)NC(C)C)cc(S(=O)(=O)N2CCc3ccccc32)c1OC 17527619 KMJLZBYEAGKZRV-MDZDMXLPSA-N 531.587 2.246 0 40 KEAB C[C@@H]1CCc2c(sc3nc(CN4CCN(S(=O)(=O)c5ccc6c(c5)OCCO6)CC4)[nH]c(=O)c23)C1 25515874 HCTFFGOFLRFESV-OAHLLOKOSA-N 516.645 2.387 0 40 KEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)C1=O 32859598 CJAPMRLRCYVPJH-VWLOTQADSA-N 516.595 2.133 0 40 KEAB CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H](O)[C@H]3[C@H](C[C@@H](C)[C@H]12)OC(=O)[C@H]3CN1CCN(c2ccccc2)CC1 70665715 CXQCZSXZJZQIFQ-OXPWFEJJSA-N 528.646 2.257 0 40 KEAB biogenic CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)N1CCCCC1 103115556 ACZOBLOXFRWJJX-KRWDZBQOSA-N 533.603 2.308 0 40 KEAB CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1 136930139 SNQVQNQWAPHMDK-HEXNFIEUSA-N 563.673 2.081 0 40 KEAB in-vitro CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 222855284 WMALPQKWFFUWBD-KRWDZBQOSA-N 505.593 2.133 0 40 KEAB CN1C(=O)C2(CC2)NC(=O)CC[C@@H](C(=O)NCC2CC2)NC(=O)c2ccccc2OC[C@@H]1Cc1ccccc1 643570259 UZMUKAQHKHTCGX-UPVQGACJSA-N 532.641 2.202 0 40 KEAB O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C(=O)c2ccccc2)CC3=O)CC1 958317762 LKXIRGASVJFKIR-UIOOFZCWSA-N 544.652 2.433 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 2049474 QDRSIQDHEDWBCQ-MVQVQHCTSA-N 538.578 2.279 0 40 KEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)C2=O 13095531 APNSRDLRKVCBAA-SZNDQCEHSA-N 517.073 2.371 0 40 KEAB CCOc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=S)NCCCN3CCOCC3)cc2c1 20081900 RUTCLRMKVCTVEL-UHFFFAOYSA-N 501.697 2.421 0 40 KEAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 22230109 BXTYAALFBOOUQN-NRFANRHFSA-N 501.605 2.230 0 40 KEAB CCn1cc(C(=O)N2CCN(C(C)C)CC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 67338392 PONSMVOJRBMKJJ-UHFFFAOYSA-N 502.685 2.197 0 40 KEAB COC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(C)C 70664590 FRTQTNIVGUIILF-HARLFGEKSA-N 622.716 2.371 0 40 KEAB biogenic CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 245285880 ZFKVWNUPWMEURA-IDFBPUONSA-N 557.552 2.079 0 40 KEAB CCOC(=O)/C=c1\s/c(=C/c2ccc(OC)c(OCC)c2)c(=O)n1CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 585139635 RWDMKFHQXCSUST-XZYHRLLGSA-N 516.660 2.430 0 40 KEAB Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCc3cnn(C)c3)CCO2)ccc1Cl 585282769 ANKOGSULNJUYKK-SANMLTNESA-N 518.058 2.155 0 40 KEAB C[C@@H]1NC(=O)C2(CCCCOCCNC1=O)CCN(C(=O)C1(c3cccc(F)c3)CCOCC1)CC2 643564166 QPVLKOCJNJZTBD-FQEVSTJZSA-N 503.615 2.304 0 40 KEAB CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCNC1=O 643564784 FYXRFXNPWPOCBD-XZOQPEGZSA-N 526.609 2.103 0 40 KEAB O=c1nc([C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)[nH]c2c1nnn2Cc1ccc(F)cc1 6161893 ZUCOEZGDMSMNQS-MRXNPFEDSA-N 526.550 2.042 0 40 KEAB COC(=O)[C@@H](CCSC)NC(=O)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 46086339 DKHYIOGLUCEIDY-DHIUTWEWSA-N 529.659 2.344 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@H]23)cc(OC)c1O 101175180 QCROTELSISKDDD-UNUIWIFRSA-N 546.623 2.497 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cc1OC 102350399 YQTUHTPEKHZGJH-UHFFFAOYSA-N 533.657 2.403 0 40 KEAB COC(=O)CSc1nnc(NC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)s1 224726782 HZAXHSGEHMDQSV-UHFFFAOYSA-N 500.624 2.168 0 40 KEAB NS(=O)(=O)c1ccc(NC(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)cc1 3315209 HYSRTZUBOULCPX-UHFFFAOYSA-N 506.569 2.412 0 40 KEAB CC(=O)Nc1cc(Cl)ccc1S[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4353122 CNMWZCBZVJVEMC-NBYDKTAJSA-N 531.967 2.474 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 8431382 QDPNLMINJGGREW-UHFFFAOYSA-N 507.619 2.378 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8451542 NQCCKRSFHAZCBZ-QFXGEWDLSA-N 509.584 2.237 0 40 KEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[nH]2)C1 15907283 HETXXOBAIHMSLW-GOSISDBHSA-N 522.587 2.226 0 40 KEAB CCOC(=O)C1=C(COC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)NC(=O)N[C@H]1c1ccco1 24002486 LFPJTAOACCQWJI-FQEVSTJZSA-N 505.549 2.338 0 40 KEAB COc1cc(OC)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)c1 38145719 HCGRFFALBHNVFR-VFNWGFHPSA-N 543.602 2.426 0 40 KEAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(C(=O)N4CCOCC4)c3)n2)cc1OC 223595420 ZSBREQNGCDGUSJ-UHFFFAOYSA-N 532.575 2.056 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 6546794 GMNWDIPXUDDNQV-OAQYLSRUSA-N 525.587 2.209 0 40 KEAB C=CCOc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=O)N(C)C2=O)cc1 16035966 NIGRPUQKLBRZCR-RTWAWAEBSA-N 504.587 2.112 0 40 KEAB biogenic COc1cc(S(=O)(=O)NCCOc2ccccc2)c(S(=O)(=O)NCCOc2ccccc2)c(OC)c1OC 98007091 LEJJJLFBMOHMFT-UHFFFAOYSA-N 566.654 2.427 0 40 KEAB CO[C@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@@H]2C[C@@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]45O)[C@@]3(C)[C@H](O)C2)[C@H]1O 118925484 DKYDBQQIQAPGMH-NWGFNSKJSA-N 550.689 2.081 0 40 KEAB COc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1Cl 224224951 VKWDUJBFQNJORF-UHFFFAOYSA-N 548.083 2.340 0 40 KEAB C[C@]1(O)C[C@@H](O)CN(C(=O)CCCn2c(C(F)(F)F)nc3ccccc32)C[C@@H]1n1cnc2c(N)ncnc21 257205689 BAEBZYOUGFMRQJ-UYFSRDTQSA-N 532.527 2.143 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OCC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC 408911271 MPUKMVKSQORPSO-WPUHHHFCSA-N 595.674 2.468 0 40 KEAB COC(=O)COc1cc(Br)c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC 409398813 CZOHIXNLGVDYJR-NSIKDUERSA-N 523.292 2.482 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(OCC)cc3)c2=O)=C(C(=O)OC)[C@H]1c1ccc(OCC)cc1 1872544 MXMSOJOZGOZYRL-CIPTZOQDSA-N 550.633 2.348 0 40 KEAB CNS(=O)(=O)c1cccc(C(=O)OCc2ccc(COC(=O)c3cccc(S(=O)(=O)NC)c3)cc2)c1 3369372 JWHNGPUJNGECDB-UHFFFAOYSA-N 532.596 2.217 0 40 KEAB COc1cccc(N2CCN([C@H](c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C[C@H]3CCCO3)CC2)c1 6176954 KTLCUOHYNOTDNP-QFQXNSOFSA-N 545.600 2.343 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C 6546705 ZIJDHHQBUPAWTD-HXUWFJFHSA-N 513.551 2.339 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 6547183 KTLAZTDDKCGGRT-KRWDZBQOSA-N 505.553 2.092 0 40 KEAB O=C(O)c1cccc(S(=O)(=O)N2CCC[C@H](c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)C2)c1 15907269 SDVJAQMWWUJJRL-INIZCTEOSA-N 512.523 2.381 0 40 KEAB CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36296027 UNPLEVIDJAECMC-UHFFFAOYSA-N 506.698 2.252 0 40 KEAB CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](O)C[C@@]43O)C2)[C@@H]1O 118918101 CPFNIKYEDJFRAT-AECMTMLUSA-N 550.689 2.081 0 40 KEAB Cc1nn([C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=O 170591403 GWMZKXRYVUGEPF-BIATYSSJSA-N 571.542 2.446 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223623849 CWVADRWFHZOUNF-IBGZPJMESA-N 503.621 2.476 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224727164 JRMNVSIAEUWZMR-LJQANCHMSA-N 503.621 2.476 0 40 KEAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1 260716791 FRQRKHIEETYIPG-RUZDIDTESA-N 533.691 2.458 0 40 KEAB COc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1OCC(=O)O 409073399 YOTVPPAZUFIZBW-UHFFFAOYSA-N 615.484 2.046 0 40 KEAB CC(=O)NCc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2)cc1 575420797 FCJUAVTUWJPHFH-SVBPBHIXSA-N 541.695 2.469 0 40 KEAB O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CS(=O)(=O)C[C@H]1N2S(=O)(=O)c1ccc(Cl)c(Cl)c1 575424782 MUUMPLKOQUBAAC-XLLXOSNRSA-N 684.450 2.327 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]45C)C3(C)C)OC[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 2054340350 FYSAXYBPXKLMJO-IOCXREESSA-N 897.109 2.373 0 40 KEAB COc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1 3363120 IDKYOCMWSRKHKA-UHFFFAOYSA-N 514.512 2.339 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 20031815 ZOXYDGPXJGTGGS-KRWDZBQOSA-N 500.042 2.307 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c(=O)[nH]c1=O 23079614 BHBWMYALYVIUOM-ROUUACIJSA-N 535.667 2.020 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(Cl)cc4)C3=O)CC2)c(C)c1 32636229 HERIWCQFNLKOOJ-XMMPIXPASA-N 519.023 2.257 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)CC2)c(C)c1 103022240 AZAVSGVWMNZAPJ-UHFFFAOYSA-N 577.725 2.399 0 40 KEAB CC(=O)OC[C@H](O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@@]4(O)C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@@H]3CC[C@]12C 253595913 KULCHMMNCMFNLY-QWGCIYLDSA-N 510.624 2.274 0 40 KEAB Cc1cc(=NC(=O)CN2CC[C@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)[nH]o1 2037879160 BMSIZPHYYZJREU-ISJGIBHGSA-N 549.672 2.024 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOCCOCCN(C(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CCOCC2)C(C)C)cc1 4018373 QSDRDNPBRVFEFS-ACHIHNKUSA-N 724.943 2.330 0 40 KEAB C[C@H](c1nnc(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)n1C)N1C(=O)COc2ccccc21 15019104 RNEXXUCDGFGGGD-CQSZACIVSA-N 507.576 2.223 0 40 KEAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 20032173 KNSXLRGKMNIZMF-UHFFFAOYSA-N 516.041 2.103 0 40 KEAB CC(C)CN(C(=O)CN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32972024 LJSOVUVLGXLJIQ-INIZCTEOSA-N 508.019 2.343 0 40 KEAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 32999617 BISNBAURIMOYBW-UHFFFAOYSA-N 511.547 2.024 0 40 KEAB COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccco2)cc1 38145771 FJIKHOBPJRMCOQ-HFZDXXHNSA-N 567.620 2.498 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)CC2)C(C)C)cc1 70687058 JAKNYTCPGWNFGS-ZEQRLZLVSA-N 545.658 2.054 0 40 KEAB O=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 97983725 DLOKUBDQBOYEQX-UHFFFAOYSA-N 580.638 2.054 0 40 KEAB CCS(=O)(=O)N(CC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)c1ccc(OC)cc1 98008219 BGGIGNKZKNRGPJ-UHFFFAOYSA-N 546.049 2.399 0 40 KEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2cc(S(N)(=O)=O)ccc21 100877606 AZCHHCWMJIXHKJ-KSHNMARYSA-N 580.710 2.218 0 40 KEAB O=C1[C@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C(=O)N1C[C@@H]1CCCO1 101091478 CDWHTEMYCKNZLL-HZORQHOUSA-N 526.387 2.297 0 40 KEAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 102921104 UQSPCGAXZWIANP-GOSISDBHSA-N 538.070 2.308 0 40 KEAB COC[C@@]12CC[C@@H](OC)[C@]34[C@H]5C[C@]6(O)[C@@H](OC(=O)c7ccccc7)[C@@H]5[C@](OC(C)=O)(C[C@H]6OC)[C@H]([C@@H](OC)[C@@H]13)[C@@H]4N(C)C2 102964316 REVYTWNGZDPRKE-CONJPDEBSA-N 599.721 2.316 0 40 KEAB CCOc1ccc(N2C(=O)NC(=O)/C(=C/NC[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)C2=O)cc1 104281051 GKQKZFRPUXBSMR-XLXASQRYSA-N 508.531 2.108 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 224257034 YIZDACKIAFCNAM-HXUWFJFHSA-N 536.047 2.469 0 40 KEAB CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 253503406 MDPXIRWVLJUABC-MNGSYRBZSA-N 652.866 2.261 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409040897 VBDAOFIFRINDII-QQYUXEJHSA-N 577.615 2.071 0 40 KEAB COc1ccc(S(=O)(=O)N(n2c(C)nnc2-n2nc(C)cc2C)S(=O)(=O)c2ccc(OC)cc2)cc1 1803412 FFSOHESYQNIQAT-UHFFFAOYSA-N 532.604 2.122 0 40 KEAB Cc1nn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=O 6142270 GWMZKXRYVUGEPF-POMLREGLSA-N 571.542 2.446 0 40 KEAB COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)cc1 6973465 RTAQMOMMVSAVRJ-QNGWXLTQSA-N 529.615 2.199 0 40 KEAB Cc1c(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(=O)n(-c2ccccc2)n1C 12595469 AQBQWLFWGUFGHG-DXPJPUQTSA-N 511.579 2.103 0 40 KEAB CN(C(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12867635 GXFBCNPOJVPFPP-UHFFFAOYSA-N 500.939 2.184 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3cccs3)n2)o1 19825966 OZDPDTVWHFUHTR-OAQYLSRUSA-N 515.640 2.120 0 40 KEAB COc1ccc(CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)cc1OC 33356871 GWCXYTXLDUYJKB-BTYSJIOQSA-N 622.700 2.351 0 40 KEAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1=O 102896335 OYWDHTMCAMYGMX-QHCPKHFHSA-N 574.965 2.381 0 40 KEAB CC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n12 226376935 NXXZUVBMMIOJQO-BLRYACLQSA-N 510.369 2.360 0 40 KEAB CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC)c1ccc2c(c1)OCCO2 260864190 YYWKDVOOFJZMQD-MRXNPFEDSA-N 510.012 2.431 0 40 KEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 408619831 NUXGLFVYSXLTMS-UHFFFAOYSA-N 548.355 2.500 0 40 KEAB COC(=O)COc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1I 409105579 LGFNDYILUGNLFU-MRACZJACSA-N 505.286 2.441 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)c2ccccc21 409389075 OPDGSEVLJJQXNW-PIJNJCDPSA-N 588.686 2.392 0 40 KEAB CN1CC2(CCN(C(=O)c3cnc4ccccc4n3)CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC1=O 2037946858 HXPCQTDISQKIHJ-BJKOFHAPSA-N 504.587 2.058 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 685338 MLYBGHPZIBZTNA-GJISQHIDSA-N 552.653 2.160 0 40 KEAB COc1ccc(NC(=O)COC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1S(N)(=O)=O 12888336 LNMARZUKQZCUAH-UHFFFAOYSA-N 511.965 2.122 0 40 KEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1 20674969 AXKDDJIESWOIOE-GOTSBHOMSA-N 526.590 2.249 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(OC(=O)C(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)O 102804906 CMZZQMLGUMWKBW-HWLQVEPHSA-N 606.717 2.440 0 40 KEAB biogenic C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(C(=O)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]34C(=O)O)C2(C)C)[C@H](O)[C@@H](O)[C@@H]1O 253501123 ZCBRYYRPNSHPER-HKTVCBISSA-N 794.976 2.409 0 40 KEAB biogenic,in-vitro CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C 257371159 LPLVUJXQOOQHMX-RUGOPGFZSA-N 822.942 2.246 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 409156820 SUSSIYVTSHBDRR-STEKTNRRSA-N 607.685 2.053 0 40 KEAB CC(=O)N1CCCN(C)CCN(C(=O)CCc2cnc([C@H]3CCCN(S(C)(=O)=O)C3)cn2)Cc2ccccc21 643554642 WWRGGVJAOIRDPY-QHCPKHFHSA-N 556.733 2.265 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 2652373 CBRGTCLQWLNPRO-UHFFFAOYSA-N 523.633 2.215 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cn3c(S)nc4ccc(N5CCOCC5)cc4c3=O)cc2)cc1 2976105 KOTCCNDKYNLHTR-UHFFFAOYSA-N 579.704 2.190 0 40 KEAB Oc1ncnc2c1C(c1ccc(C3c4c(O)ncnc4Oc4ncnc(O)c43)cc1)c1c(O)ncnc1O2 10013939 GGNTUSULBQCNMR-UHFFFAOYSA-N 510.426 2.241 0 40 KEAB Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1Cl 19818715 DGKVJOFIJJMVAM-QFIPXVFZSA-N 501.990 2.265 0 40 KEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1 20674956 GUMZSJZIOAULLX-VXKWHMMOSA-N 514.554 2.380 0 40 KEAB CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 59796557 YDOTUXAWKBPQJW-NSLWYYNWSA-N 575.710 2.430 0 40 KEAB in-vitro C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1ccccc1 59851755 MAUKBZDOEGKRJQ-NRFANRHFSA-N 573.693 2.442 0 40 KEAB CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2COCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 97956244 RUUDMBRNWSHHLV-DABHTEOTSA-N 555.631 2.296 0 40 KEAB CCOC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](N)Cc1ccc(OCc2ccccc2)cc1 150381550 PKSYUSBHIMIUJC-IPMXHECSSA-N 646.741 2.326 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@H](O)C[C@@H](O[C@@H]3[C@H](O)C[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)[C@H](O)C[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@@H](O)[C@@H]1O 253629640 LKRDZKPBAOKJBT-ZUBMJDSSSA-N 780.949 2.218 0 40 KEAB CC/C(C)=C\CC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@H]3C[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@H]12 263637962 QOVKKEKBURQILF-KJTNMOKJSA-N 785.025 2.147 0 40 KEAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O 409371417 WJUAXAXXXAYLPW-SEJMYLSOSA-N 513.366 2.285 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 623799 ZKZVMPRCHITRQU-VZIOXZNFSA-N 506.536 2.259 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N 6601622 RUWQSZBQOFBDON-JOCHJYFZSA-N 539.614 2.286 0 40 KEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)C1 15981542 AQJARQICBMNDGA-RTBURBONSA-N 517.604 2.088 0 40 KEAB CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccccc2OCc2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 70670147 LLLNTXZITKTKCA-KCYOCBRTSA-N 557.552 2.079 0 40 KEAB biogenic COc1ccc(S(=O)(=O)c2cnc(N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)nc2N)cc1 71772054 BZOGWMOXSZKVSZ-UHFFFAOYSA-N 529.619 2.248 0 40 KEAB Cc1nnc(SCC2=C(C(=O)NCC(C)C)N3C(=O)[C@H](NC(=O)c4nn(C)c(C)c4Br)[C@H]3SC2)s1 97948734 FERIOYUHJMCVNV-MGPUTAFESA-N 600.590 2.483 0 40 KEAB CC[C@@H](C)Oc1c(Cl)cc(C(C2C(=O)N(C)C(=S)N(C)C2=O)C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 100345604 GRFDSYYCABJIKV-LLVKDONJSA-N 569.105 2.273 0 40 KEAB COc1ccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1 224526950 OVHLVMOXNIJBAJ-UHFFFAOYSA-N 547.602 2.179 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225459514 IDEBTDCWOWINCE-OAHLLOKOSA-N 540.436 2.150 0 40 KEAB COCC(=O)N1CCCN(CC(C)C)CCCN(C(=O)CN2CCN(C)CC2)Cc2cc(F)ccc21 643572664 MARWWNKKOBOZBL-UHFFFAOYSA-N 505.679 2.133 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N[C@H]2CCCOC2)CC(=O)N[C@@H](CC(C)C)C1=O 643584833 KURBYHPEJVMDLT-PMVMPFDFSA-N 530.666 2.022 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O[C@@H]4CC[C@@]5(C)[C@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]56C)C4(C)C)OC[C@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O 1903869825 VQQGPFFHGWNIGX-YEPOVIIUSA-N 897.109 2.373 0 40 KEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)C1 12932816 JONWYNZMOVWZQX-QGZVFWFLSA-N 527.690 2.371 0 40 KEAB Cc1ccc(C)c(OCCC(=O)OCC(=O)NCCNC(=O)COC(=O)CCOc2cc(C)ccc2C)c1 13003816 WXRVOTBIVKUDQM-UHFFFAOYSA-N 528.602 2.477 0 40 KEAB O=C(CCCn1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O)NCCCN1CCOCC1 20644228 CNFZGRJRAYWAOP-UHFFFAOYSA-N 515.680 2.166 0 40 KEAB COCCN(C(=O)C[C@@H](NC(C)=O)c1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32937490 XQXAWUALUOQCAU-HXUWFJFHSA-N 513.982 2.067 0 40 KEAB CC[C@H](C)Oc1c(Cl)cc(C(C2C(=O)N(C)C(=S)N(C)C2=O)C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 100345608 GRFDSYYCABJIKV-NSHDSACASA-N 569.105 2.273 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1 223224728 RRCFFFJDLKLHKM-MGBGTMOVSA-N 680.824 2.183 0 40 KEAB O=C(CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1)N1CCOC[C@H](Cc2cccnn2)C1 643558315 HSOYUNITUABASU-XMMPIXPASA-N 535.689 2.498 0 40 KEAB O=C1CC[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)N1 643566670 HDXQHLOMEZFLRG-SVBPBHIXSA-N 577.726 2.184 0 40 KEAB COCCCN(C(=O)CNc1cccc(Br)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3447035 JJDNHPLVUWNDAS-UHFFFAOYSA-N 516.396 2.411 0 40 KEAB COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2N(C)C)N2CCOCC2)cc1 12414002 APGPOLGXODCXPC-JOCHJYFZSA-N 525.071 2.468 0 40 KEAB C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C)c1ccccc1 12889324 OIPATMUGKZSSKM-LIUBOXQOSA-N 522.627 2.207 0 40 KEAB biogenic COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 20484528 RPMBXZPFYUQSDE-UHFFFAOYSA-N 528.628 2.260 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc(NC[C@@H]3CCCO3)c3ccccc3n2)cc1 34138680 USZNBXYLNBUEFW-KRWDZBQOSA-N 501.634 2.319 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)CC2)cc1 100087443 GWPJWNREZRCWDM-UHFFFAOYSA-N 530.466 2.057 0 40 KEAB COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1cccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2NC(C)=O)c1 103677724 OGRQOXXUZIKSML-CATPQQOXSA-N 566.394 2.394 0 40 KEAB C[C@@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222702230 ZJMRRFWALZFINS-NRFANRHFSA-N 541.626 2.413 0 40 KEAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1OC 226011456 IEQXCGYNCAOQEC-UHFFFAOYSA-N 575.709 2.340 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 409171259 ZRORHJCNAWZIQB-DBLMTGOPSA-N 607.685 2.053 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 6601629 BARYIINYZPHIJR-JOCHJYFZSA-N 555.613 2.299 0 40 KEAB O=S(=O)(c1ccc(OC[C@@H](O)CN2CCCC2)cc1)c1ccc(OC[C@@H](O)CN2CCCC2)cc1 8837579 YQZZOJQXOBJQSE-VXKWHMMOSA-N 504.649 2.190 0 40 KEAB Nn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 9187635 OEDLFBKIWZNRET-UHFFFAOYSA-N 504.985 2.081 0 40 KEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2c1ccc(OC)c2OC 12662683 WDILCRRJVPQYJF-XHNVNVPESA-N 521.526 2.246 0 40 KEAB biogenic CCCOc1ccc(C(=O)NC(=S)N2CCN(c3ncc4c(=O)c(C(=O)O)cn(CC)c4n3)CC2)cc1 13576797 ZQMKQDPRPVJESC-UHFFFAOYSA-N 524.603 2.135 0 40 KEAB O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 97976753 HLMVPVWHVOKYPV-QHHAFSJGSA-N 584.445 2.095 0 40 KEAB COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21 100872961 NDGRMDVSTWUVCQ-JSOFMQCWSA-N 566.727 2.404 0 40 KEAB O=C([C@@H]1[C@@H]2C(=O)N([C@@H](c3ccccc3)c3nnnn3-c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3)N1CCOCC1 101360371 JNPYAGCBKTZUTP-ZKWJSJOJSA-N 532.988 2.046 0 40 KEAB COc1ccccc1N1CCN(C(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc32)CC1 102435146 GXFOESXKSVUQHK-HXUWFJFHSA-N 539.658 2.317 0 40 KEAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1C(=O)N1CCC(C)CC1 224230616 BMTOCXOXYGFTOK-UHFFFAOYSA-N 539.676 2.175 0 40 KEAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)cc1 224445433 ZAVAYQUMFIEYLG-UHFFFAOYSA-N 603.719 2.497 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(Cc2ccccc2F)CC1 224479066 VSEPCPFHOOPOFP-UHFFFAOYSA-N 505.612 2.254 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 224486598 PMRMKFLGKKRJRI-NRFANRHFSA-N 590.120 2.109 0 40 KEAB O=C(CCC(=O)NN=Cc1ccc(I)o1)NN=Cc1ccc(I)o1 254507760 JGGRCRXSWRCILK-UHFFFAOYSA-N 554.082 2.462 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409390351 UVJFOJHPDLRTHL-CJJGVWJISA-N 605.669 2.486 0 40 KEAB C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 642771868 MLKQAGPAYHTNQQ-BWZZAUEKSA-N 650.850 2.434 0 40 KEAB CCn1c(SCC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)COC)C[C@@H]2CC(C)C)nnc1-c1ccccc1 643912912 CSVOBVIGMDWKCK-YIPGRGJBSA-N 635.828 2.323 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)c2cnccn2)CCCCOC[C@@H](O)[C@H]1O 643913375 ULFWWDCHBTYHDU-TWJOJJKGSA-N 546.640 2.164 0 40 KEAB O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 883627 ULWJWGMGWYVWNE-UHFFFAOYSA-N 525.635 2.426 0 40 KEAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccc(OC)c(OC)c1)C(=O)c1snc(C(N)=O)c1N 6820970 YIKVEEYZDASOMB-MRXNPFEDSA-N 503.625 2.364 0 40 KEAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 13036907 ISBPVLZPUKZETM-UHFFFAOYSA-N 513.530 2.228 0 40 KEAB O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 13063672 DTXUVWSXPILRPF-GFWHJHDHSA-N 504.565 2.227 0 40 KEAB COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1OC 13564848 PQXAGNDRMFBUQB-NRFANRHFSA-N 524.039 2.374 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 224211188 USNWSNCZUWDMMS-UHFFFAOYSA-N 524.448 2.205 0 40 KEAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)O2 224245877 SADVVEKIJKGTQD-VWLOTQADSA-N 559.666 2.397 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225426179 LFFPALRMPVNFQT-CQSZACIVSA-N 547.390 2.360 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409047299 MDTJHKXMEWSRNI-KFQDKBEMSA-N 624.668 2.301 0 40 KEAB CN(C)c1cccc2cc(C(=O)N[C@@H](CS(=O)(=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)NCCN)ccc12 514264905 HKGAFZIAPMFSHE-NDEPHWFRSA-N 612.778 2.038 0 40 KEAB CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)CN(C)Cc2ccccc2Cl)CCCCOC[C@@H](O)[C@H]1O 643586736 ZZISVVDMZQKXED-HDEUIXPWSA-N 556.144 2.411 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 64634966 MNPBIQHOPFNEHF-QYAMMSNYSA-N 538.578 2.279 0 40 KEAB Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCO[C@@H](c2ccccc2)C1 85876712 LSWNFDFVEDZTIH-SBQVMTCPSA-N 502.615 2.445 0 40 KEAB biogenic COc1ccc([C@@H](c2c(O)n3c(nc2=O)SCCC3)c2c(O)nc3n(c2=O)CCCS3)c(OC)c1OC 102498116 SKMIWLGRNVXYLM-CQSZACIVSA-N 546.627 2.409 0 40 KEAB CC(C)c1ccccc1NC(=O)COC(=O)C[C@H]1Nc2c(c(=O)n(C)c(=O)n2Cc2ccccc2)C1=O 102925854 AHJNYDOARNFWPK-HXUWFJFHSA-N 504.543 2.268 0 40 KEAB COCCn1c(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2scc(-c3ccc(F)cc3)c2c1=O 103122858 DGTFBXJEOXASBT-GFCCVEGCSA-N 545.618 2.254 0 40 KEAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Cl)c1 224480546 UFYRZQKONJYRKN-UHFFFAOYSA-N 560.094 2.102 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N23)cc1 585148583 COGTYSHJNXDMDT-HHHXNRCGSA-N 659.794 2.124 0 40 KEAB COC[C@@H]1O[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)C=C([C@@H]4CC[C@H]5[C@]6(C)CC[C@@H](C(C)(C)O[C@@H]7O[C@H](COC)[C@H](O)[C@H](O)[C@@H]7NC(C)=O)O[C@H]6[C@@H](O)C[C@]45C)CC[C@@H]3O2)[C@H](NC(C)=O)[C@H](O)[C@@H]1O 1772591685 LFQPVWALRWUAGY-RGSOAJEMSA-N 925.167 2.398 0 40 KEAB COC(=O)c1ccnc(-c2cc(C(=O)NCCOCCOCCOCCNC(=O)OC(C)(C)C)ccn2)c1 1857794958 ZZDFEBJEFIINIR-UHFFFAOYSA-N 532.594 2.235 0 40 KEAB Cn1ncc(I)c1C(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2096279 AUPCYELSAPSNMA-UHFFFAOYSA-N 548.413 2.409 0 40 KEAB COc1cc(C(=O)NCc2ccccc2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 8431879 LBINJDLQVHABOX-WNNHWGDASA-N 587.578 2.087 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(=O)[nH]c1=O 13165181 VOZJYVUWLBEOKX-UHFFFAOYSA-N 527.651 2.208 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O 32990889 FENQHHXXKDOJKN-LJQANCHMSA-N 529.638 2.016 0 40 KEAB COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)S(C)(=O)=O 38756878 WVNQPCZTKMYTSP-UHFFFAOYSA-N 519.605 2.308 0 40 KEAB COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)CC1=O 138805848 VFJONJPZLVJVLT-ZDUSSCGKSA-N 509.437 2.398 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)Cc1ccccc1Cl 224422221 ACCHWVKEFBIDPI-UHFFFAOYSA-N 544.095 2.471 0 40 KEAB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccc(CN4CCOCC4)cc3)c2)CC1 224577105 OQXRMBDIXSTIDR-UHFFFAOYSA-N 507.056 2.038 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 225451686 ZFZHVTBPQWWKIA-OAHLLOKOSA-N 512.426 2.387 0 40 KEAB CO[C@@]12O[C@@]3(C)CC[C@@H](OC(=O)[C@@H]1[C@@H]1[C@@H]4[C@H](C[C@H]13)C(C(=O)O)=C[C@@H]1[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@@H]14)[C@H]2C 514287940 LFQXXBVNHBMYJD-ICBZCSGISA-N 504.576 2.157 0 40 KEAB biogenic,in-vitro CCn1cc(NC(=O)CN2CCC[C@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)c(C)n1 2037879699 LUNFYPCOFAKRSI-HHHXNRCGSA-N 508.623 2.117 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1N 12474094 VWDJQIVHZARORL-FXAWDEMLSA-N 513.551 2.352 0 40 KEAB COc1cc(C(=O)N2CCC(NC(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)CC2)cc(OC)c1OC 13085097 XONCNYMEXAGUPX-NRFANRHFSA-N 501.555 2.320 0 40 KEAB CCCC[C@@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@H](C)[C@H]1OC(=O)CCC 14853753 GYANSQKXOLFAFP-QICZXCCBSA-N 506.552 2.454 0 40 KEAB biogenic CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 15351913 KNQBRJMGXUDVFI-UHFFFAOYSA-N 506.934 2.235 0 40 KEAB Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCN(CCOc2ccccc2)CC1 85877933 UUHCCWBRDQMOPB-RPWUZVMVSA-N 545.684 2.069 0 40 KEAB biogenic CO[C@@H]1[C@H](O)[C@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@H]1O 118923239 MABTYQWWFMMYTE-RJBLBYHGSA-N 550.689 2.225 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225438685 ATKCFWGZVNGXQX-KRWDZBQOSA-N 507.584 2.306 0 40 KEAB COC(=O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@@H](c3ccc(OC)c(OC)c3)c3sc(=O)[nH]c3S[C@@H]12 248138767 PYRQISFDANFGQF-WTAXKWFHSA-N 516.597 2.100 0 40 KEAB CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCC(N)=O)c(=O)n21 408963477 DVYFKHSXEYEKTD-BLJGQIRFSA-N 660.543 2.459 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)C2CCNCC2)CCCCOC[C@@H](O)[C@H]1O 643551329 BCGLSRIIOHQKQD-ZONZVBGPSA-N 551.700 2.060 0 40 KEAB Cc1cc(NC(=O)CN2CCC3(CCCCNC(=O)c4cccc(C)c4OCCCNC3=O)CC2)no1 643556972 SSYUSCXOEKKAKB-UHFFFAOYSA-N 511.623 2.811 0 40 KEAB CC(C)(C)C(=O)N1CC(=O)N2CC[C@@H](CC(=O)N3CCN(C=O)CC3)[C@@H](C=CCOc3ccccc3C1)C2 958317664 BERRMQUVSDWZPZ-GOTSBHOMSA-N 524.662 2.165 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)N2CCN(C)CC2)NC(=O)c2ccccc2OCCCCCCN(C)C1=O 1615161641 WEFKVVJSWLFARK-DQEYMECFSA-N 557.736 2.281 0 40 KEAB COc1ccc(N2C(=O)[C@H](CC(=O)NCCc3ccccc3)N(NC(=O)c3cccnc3)C2=S)cc1 720778 ZDEWEABPSKLAHM-QFIPXVFZSA-N 503.584 2.486 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)CCn4nc(C)c(Br)c4C)[C@H]3SC2)s1 2786100 GRQGINJLBIEVPX-RHSMWYFYSA-N 573.520 2.343 0 40 KEAB CC(=O)N1CCN(C(=O)C[C@@H]2c3nc(NC(=O)C4CCC4)sc3C[C@H]3[C@@]2(C)CC[C@@H](O)[C@@]3(C)CO)CC1 4222466 YXGWEAROHCBFEC-BWSFKYGTSA-N 532.707 2.378 0 40 KEAB biogenic,in-vitro CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 8693848 SASPNJVWTFVLFY-UHFFFAOYSA-N 545.658 2.288 0 40 KEAB COC(=O)c1ccc(C(c2c(O)nc3n(c2=O)CCCS3)c2c(O)nc3n(c2=O)CCCS3)cc1 13556818 KNMVQGWYVIFXLM-UHFFFAOYSA-N 514.585 2.170 0 40 KEAB O=C(c1ccc(Br)cc1)c1ccccc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 32769794 YORQOPSAHRPDPB-UHFFFAOYSA-N 522.421 2.015 0 40 KEAB O=C(CCn1c(=O)c2ccccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)N1CCc2ccccc2C1 33454425 UPDFNIWNQCYUHG-UHFFFAOYSA-N 507.550 2.194 0 40 KEAB COc1ccc(NC(=O)Cn2c3cc(=O)n(N4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c(OC)c1 101378132 JFCUDNAZGLPUGQ-UHFFFAOYSA-N 576.635 2.496 0 40 KEAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)sc(C)c1C 103054977 OJVZVOPASRXCFD-UHFFFAOYSA-N 551.643 2.190 0 40 KEAB CN(CCc1ccccn1)[C@H]1[C@H](NC(=O)CCc2ccc3c(c2)n(C)c(=O)n3C)C[C@@H](Oc2ccccc2)[C@@H]1O 257266697 MECDAMDLGVZGGB-ABIUOIPQSA-N 543.668 2.445 0 40 KEAB CC1(C)CC2(CCN(CC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)CN1S(C)(=O)=O 257343533 ZTJGEJFZVBVZEY-UHFFFAOYSA-N 526.725 2.326 0 40 KEAB CS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 260752056 XAYMPYNIEMYSEP-HSZRJFAPSA-N 515.613 2.373 0 40 KEAB Cc1cc(=NC(=O)CN2CC[C@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)[nH]o1 2037879159 BMSIZPHYYZJREU-GVAUOCQISA-N 549.672 2.024 0 40 KEAB COc1cc(/C=c2\sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)ccc1O 1437132 QEUQPXVRXITPMN-ILVSZCEFSA-N 527.606 2.333 0 40 KEAB CCOC(=O)C1(C(=O)OCC)CCCN1C(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1 5831665 GIRJVKVQEKAXEQ-IBGZPJMESA-N 535.594 2.294 0 40 KEAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)c(OC)c1 30858406 PFLSSIQWKKCOIK-UHFFFAOYSA-N 520.589 2.304 0 40 KEAB O=C(OC[C@H]1[C@H](COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1(Cl)Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 97983161 BKMZEHIFLMRIJH-ZEQRLZLVSA-N 677.581 2.162 0 40 KEAB CO[C@H]1C[C@H]2C=C[C@H]3[C@H]4O[C@@]2(/C(C)=C/[C@H](C)[C@@H]([C@@H](C)O)OC1=O)[C@H]3[C@H](O)[C@H](C)[C@@H]4OC(=O)c1ccc[nH]1 100403479 YEUSSARNQQYBKH-ZRKNNXCDSA-N 515.603 2.400 0 40 KEAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1 100876851 PMXXCYXJOSKQNB-ZRZCPFIBSA-N 580.710 2.218 0 40 KEAB O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1=O)NC1CCCC1 101354065 DXJWRBVZEUQXFU-UHFFFAOYSA-N 547.587 2.456 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 140301523 AIKPYHLLJAQVRR-HXUWFJFHSA-N 530.024 2.299 0 40 KEAB COc1cccc(CN2CCN3C(=O)c4ccc(-c5cnn(C)c5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)c1 253399294 IUJHWZCBNYDCEW-CGQUYWBPSA-N 589.693 2.230 0 40 KEAB COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1NC(C)=O 584577845 DMLKUPXKUQREOC-LENLALOCSA-N 575.412 2.186 0 40 KEAB CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc21 2650169 DIPYPJQGIVRWJK-UHFFFAOYSA-N 517.535 2.141 0 40 KEAB CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O 3916460 FJFLYSMWSRRMRO-OIFRRMEBSA-N 609.731 2.001 0 40 KEAB O=C(C[C@@H]1CS(=O)(=O)C[C@H]1CC(=O)Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2 6148602 BBXAJBDNBDEGRS-HZPDHXFCSA-N 502.545 2.247 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)N4CCCCC4)cc3)CC2)cc1 30755189 ZOAFAPAULVHNFW-UHFFFAOYSA-N 505.662 2.457 0 40 KEAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)c(=O)n(C)c1=O 103084330 BQHPXFTXUXTUSL-UHFFFAOYSA-N 563.032 2.303 0 40 KEAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224481101 SUWNNOOIMXZRNI-MRXNPFEDSA-N 513.410 2.433 0 40 KEAB O=C(O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1I 409214176 RMNMAGZSUKFRGX-OVCLIPMQSA-N 539.257 2.425 0 40 KEAB C[C@@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC(=O)N1 643559582 YUIHXTLCVQOFLV-CQSZACIVSA-N 515.920 2.491 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN(C)C)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CC(=O)N1 643571487 CDKCEOQIXDWTFC-BKHJTQGXSA-N 664.848 2.132 0 40 KEAB O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C(=O)Cc2ccccc2)CC3=O)CC1 958317891 WZHTWNJQZJRYBS-SVBPBHIXSA-N 558.679 2.362 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC 6546899 RIENNVVRGMCSOB-QHCPKHFHSA-N 580.623 2.390 0 40 KEAB O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCC1)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 19941197 KYUDLNYFHKWMMJ-PGUFJCEWSA-N 503.552 2.334 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 20032337 CRIGDRDUXXTLHK-UHFFFAOYSA-N 509.650 2.243 0 40 KEAB O=C(CCCCCCCC(=O)Nc1cc(C2=NCCN2)cc(C2=NCCN2)c1)Nc1cc(C2=NCCN2)cc(C2=NCCN2)c1 4783463 VSJXDQCYBGKTJQ-UHFFFAOYSA-N 610.767 2.394 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 13146524 GGFZDOJZYRSASS-UHFFFAOYSA-N 525.649 2.307 0 40 KEAB CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NCCN1CCOCC1 20504770 QYWAVBUKAUKHDH-CLFWJIOASA-N 536.739 2.382 0 40 KEAB biogenic,in-vitro CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C(=O)O)[C@@H](C)O 70699980 QVWRFGLEXKHDDK-BKQAYRMHSA-N 532.597 2.119 0 40 KEAB biogenic CO[C@]1(N)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CS[C@H]21 100620399 QGXKMJVEULWQSB-LADGPHEKSA-N 524.628 2.106 0 40 KEAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]45)[C@H]23)cc(OC)c1O 101174963 ROLCDTGTILUQPA-DQINMSJRSA-N 532.596 2.107 0 40 KEAB COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 102253578 HHDNSWQOEAFVQQ-QFIPXVFZSA-N 533.551 2.192 0 40 KEAB C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 222891718 AHVXICMMLJSCOD-OAQYLSRUSA-N 560.692 2.065 0 40 KEAB CC1CCN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)c2)CC1 224251857 CIYWKQMMQSINRL-UHFFFAOYSA-N 509.650 2.166 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 225451967 WVIWGVZDUYLSBN-OAHLLOKOSA-N 542.452 2.396 0 40 KEAB C[C@H](O)[C@H](CCCCCCCCCCCCCCCC[C@H](O)[C@H](C)NCC(=O)O)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253529488 BFJZLVDYMQIIMI-LIGFADGVSA-N 593.799 2.218 0 40 KEAB biogenic,in-vitro Cc1ccc(Br)cc1C(c1cc(Br)ccc1C)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO 4962276 JHNGLZSPOIVTES-RSPOEFSDSA-N 504.215 2.396 0 40 KEAB CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)[C@@H](C(=O)NC(C)(C)C)c1ccc(O)cc1 6546310 BSQUXWKGTGRFDN-HSZRJFAPSA-N 508.579 2.402 0 40 KEAB CCOc1ccc(CCNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OCC 12950693 CJPBQSACLGBWIA-UHFFFAOYSA-N 520.604 2.021 0 40 KEAB CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)[C@H]1CCS(=O)(=O)C1 13143442 DYJCGZPUUBOTGU-FQEVSTJZSA-N 520.629 2.021 0 40 KEAB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1C(c1ccncc1)[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 17413962 SFTHIVFUILROAK-IHWFROFDSA-N 529.603 2.293 0 40 KEAB CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 35454651 HUSISCNTLUEZCN-HHUHFYQLSA-N 514.656 2.297 0 40 KEAB biogenic,in-vitro CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc2c(c1)OCCO2 60060198 LTGRJZXLZYDQGL-UHFFFAOYSA-N 532.600 2.448 0 40 KEAB CN1CCN(Cn2nc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n(Cc3ccc(F)cc3)c2=S)CC1 102992204 WMLBNZJNMZZHER-UHFFFAOYSA-N 546.694 2.494 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 222808941 RCVHCRNWOSXOPQ-KRWDZBQOSA-N 505.593 2.133 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 224999442 ZSMHYBHZRXMZKK-SFHVURJKSA-N 508.616 2.391 0 40 KEAB CC(=O)N[C@H]1[C@@H](O[C@H](C)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 232321448 OXLCJWGAUPPZQJ-DRXUEWOPSA-N 670.668 2.040 0 40 KEAB C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C(=O)O)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C 253500554 AQLCKWUMMOZIEY-LJARZCAPSA-N 794.976 2.265 0 40 KEAB biogenic,in-vitro O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)N(Cc1cccnc1)C2 514287483 FWCUYFUDTFUAGR-INWNYEGYSA-N 557.651 2.324 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 514301251 XFAUNXAIMVEIBF-UHFFFAOYSA-N 570.715 2.017 0 40 KEAB CC(C)c1ccc2c(c1)OCCC1(CCN(Cc3ccccn3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O 1548888794 AWDLQUCDGPMWLH-PKTZIBPZSA-N 528.675 2.262 0 40 KEAB CCS[C@@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(Cl)ncnc21 5665547 FGQYLRHJNNSISP-VTCZHREGSA-N 589.023 2.021 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1 20031588 JOABHDVBTIGCBV-HSZRJFAPSA-N 501.630 2.143 0 40 KEAB O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 35100616 ZUDPFSAWAVGQFZ-OAQYLSRUSA-N 510.454 2.177 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N 38144972 DLMDLMCQPMCULS-KKSFZXQISA-N 541.561 2.375 0 40 KEAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(c3cccc(Cl)c3)CC1)n2CCSc1nnnn1-c1ccccc1 97957501 KLBYVBZMGIODER-UHFFFAOYSA-N 565.063 2.171 0 40 KEAB CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@H]2ON=C([C@]3(C)NC(=O)N(c4ccccc4)N3)[C@H]2C1=O 100333429 IACLZCGNMWEOQR-PJSUUKDQSA-N 523.859 2.295 0 40 KEAB COC[C@@]12CC[C@H](OC)[C@]34[C@H]([C@@H]([C@H](OC)[C@@H]13)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]3(O)C[C@@H]4[C@@H]1[C@H]3OC(=O)c1ccccc1)N(C)C2 100392692 REVYTWNGZDPRKE-XLOVRECKSA-N 599.721 2.316 0 40 KEAB biogenic,in-vitro COCCn1c(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2scc(-c3ccc(F)cc3)c2c1=O 103122856 DGTFBXJEOXASBT-LBPRGKRZSA-N 545.618 2.254 0 40 KEAB COC(=O)CSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)s1 222581124 NHPMTEKVHAJHRV-UHFFFAOYSA-N 500.624 2.485 0 40 KEAB COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)c2ccccc2O1 260731188 DHUPCVOTUCUNPF-AOMKIAJQSA-N 504.561 2.072 0 40 KEAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cc(C)ccc2OC)cc1 575421593 KCWJNAJLYRCMFK-YADHBBJMSA-N 610.732 2.475 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCCN3CCCC3=O)c(OC)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 585281725 QGYIOYYJXDCHLK-SSEXGKCCSA-N 591.652 2.465 0 40 KEAB CCOC(=O)C1CCN([C@@H](c2cc3cc(OCC)ccc3[nH]c2=O)c2nnnn2C[C@H]2CCCO2)CC1 57594912 LHBWOFKDPWJMRS-OFNKIYASSA-N 510.595 2.457 0 40 KEAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59852032 GUFIGOMTSVXTKH-UHFFFAOYSA-N 573.693 2.190 0 40 KEAB CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC1 70687953 IGMNXCQVDXERDZ-SFTDATJTSA-N 544.605 2.277 0 40 KEAB biogenic COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1C 100234228 ZSRBBPPIVBLGMO-UHFFFAOYSA-N 539.676 2.279 0 40 KEAB Cc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2=O)cc1C 101269067 IMFOMAPIMJCVOB-UHFFFAOYSA-N 540.667 2.454 0 40 KEAB CCCCn1c(CCC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 103061018 MCHOHUDQZDMJGX-UHFFFAOYSA-N 586.667 2.378 0 40 KEAB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)OCCCCOC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 201758098 MNWLHNQXHDOYDO-UHFFFAOYSA-N 504.404 2.383 0 40 KEAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1S(=O)(=O)N1CCOCC1 216459933 IHRWOPJIFHRKLE-UHFFFAOYSA-N 555.650 2.036 0 40 KEAB O=C(O)c1ccc(NS(=O)(=O)c2cc3c(c(S(=O)(=O)Nc4ccc(C(=O)O)cc4)c2)OCCO3)cc1 3204260 HBGPAQUCYWOVMU-UHFFFAOYSA-N 534.524 2.456 0 40 KEAB CC(=O)O[C@@H](COC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(=O)c1ccccc1)OC(C)=O 5249523 WGARRJKOSNNSQG-XDZVQPMWSA-N 558.536 2.427 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC 6546580 RIENNVVRGMCSOB-HSZRJFAPSA-N 580.623 2.390 0 40 KEAB O=C1NC(=O)N(c2ccccc2)C(=O)[C@H]1C(c1ccccc1O)[C@H]1C(=O)NC(=O)N(c2ccccc2)C1=O 16488586 ZGGFXENFVZEDGR-SFTDATJTSA-N 512.478 2.274 0 40 KEAB COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 22869386 IMFFALFPTNLAMM-AJTFRIOCSA-N 559.627 2.338 0 40 KEAB CCCN(C(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38139394 GMLXZECEHPGZPR-HHHXNRCGSA-N 549.609 2.082 0 40 KEAB CCn1cc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 103071450 WVSMLPAZDRQNRV-HTAPYJJXSA-N 557.623 2.390 0 40 KEAB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)s1 224503557 SORQDSGTNCTUBZ-UHFFFAOYSA-N 500.624 2.485 0 40 KEAB CN(CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 226056997 AHVFZKQWIJSLQT-UHFFFAOYSA-N 500.042 2.104 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(CCCC(=O)O)C(=O)[C@@H]23)ccc1O 248131805 KIZHCISLNFIAEA-QCKVOFGHSA-N 516.597 2.489 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OCC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 408911268 MPUKMVKSQORPSO-RJFKIUDMSA-N 595.674 2.468 0 40 KEAB Cc1nn(CCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c(C)c1C 643575540 HNBCVSQSZKIBCM-CHQNGUEUSA-N 687.842 2.270 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1ccccc1OC 2049510 IJOMFFGZFKANAJ-JPFXZVHCSA-N 508.552 2.270 0 40 KEAB O=C(CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccco1 3334673 AWPOPUUFLZQCLU-UHFFFAOYSA-N 510.366 2.259 0 40 KEAB CC(C)[C@@H](C(=O)N1CCOCCOCCN(C(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O 4018381 DDPKKYGBOPCJOF-ACHIHNKUSA-N 720.820 2.365 0 40 KEAB COCCNC(=O)[C@H](c1ccc(OC)cc1)N(CCc1ccc(OC)c(OC)c1)C(=O)c1snc(C(N)=O)c1N 6905106 QJZWWCPUURWBCJ-QHCPKHFHSA-N 571.656 2.039 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 8451483 KRJPQFMYVYQMBR-VOZFUJEASA-N 539.610 2.245 0 40 KEAB NC(=O)C1(N2CCCCC2)CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)CC1 8756683 VURSFZWRBGQBNR-UHFFFAOYSA-N 519.631 2.421 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1)OCO3 20081112 QYRAGPBXGRZQPR-QFQXNSOFSA-N 529.601 2.330 0 40 KEAB CC[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O 100141341 BOLCFGMGGWCOOE-CTTKVJGISA-N 595.700 2.381 0 40 KEAB in-vitro CCCn1c(N2CCN(CC(=O)Nc3c(C(=O)OC)[nH]c4ccc(Br)cc34)CC2)nc2c1c(O)nc(=O)n2C 102873320 CXHDPKZKYLZQRT-UHFFFAOYSA-N 601.462 2.037 0 40 KEAB COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1cccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)c1 103677708 OGRQOXXUZIKSML-YDPKVKSESA-N 566.394 2.394 0 40 KEAB Cc1ccc(CN(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 224422061 QXRMQEOOUMFKSZ-UHFFFAOYSA-N 523.677 2.126 0 40 KEAB CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 253388786 YOSRLTNUOCHBEA-HXAWIJOFSA-N 794.976 2.409 0 40 KEAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1 260892579 ZWJFUCAEUXYJII-NRFANRHFSA-N 535.688 2.375 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)N4CCOCC4)c(OC)c3)C2=O)o1 409398721 CEIWBDGLYXRZFE-YVLHZVERSA-N 533.921 2.059 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3cccc(OC)c3)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 585287227 LCLUKVNLLTWMHM-SSEXGKCCSA-N 541.689 2.244 0 40 KEAB CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1 643568157 MDGNNOWULGHTLI-SUSFFDNPSA-N 577.726 2.036 0 40 KEAB COc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 13135868 YQEXRBANMLJIFH-UHFFFAOYSA-N 503.577 2.172 0 40 KEAB COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19973010 FONUPRNDLSBVTL-VWLOTQADSA-N 517.590 2.105 0 40 KEAB COCCN(C(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32667649 TXFGTKSQAXVIKU-INIZCTEOSA-N 526.615 2.190 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)cc3oc(=O)c4c(c23)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 70700349 SMLDASGOAYDLQO-XCUBKVFDSA-N 560.552 2.442 0 40 KEAB biogenic COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@H]23)ccc1O 100922186 KIZHCISLNFIAEA-BMDGLPDMSA-N 516.597 2.489 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 103096114 AMDKMJXCPYEHJL-ROUUACIJSA-N 533.603 2.028 0 40 KEAB C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl)c1ccc(S(C)(=O)=O)cc1 223877813 QNELXPXOMDAJEV-HNNXBMFYSA-N 500.042 2.171 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223995123 KDCJZWKJANHGEN-SFHVURJKSA-N 519.620 2.176 0 40 KEAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 224926958 MCAILEQBAUKOEX-NRFANRHFSA-N 501.605 2.419 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 225033370 ODUYAMSLAUXRNY-SFHVURJKSA-N 508.616 2.391 0 40 KEAB C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/CC/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](C)[C@H]1C)O2 575119026 YOXQUZYJUARMBY-MGGGOQCRSA-N 924.135 2.211 0 40 KEAB CC(C)c1ccc(S(=O)(=O)NCCN([C@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2ccc(C(C)C)cc2)cc1 575420102 FQYBNWCRBNBBFN-ZEQRLZLVSA-N 558.744 2.061 0 40 KEAB C[C@@H]1NC(=O)C2(CCCCOCCNC1=O)CCN(C(=O)C1(c3ccc(F)cc3)CCOCC1)CC2 643564104 ISDACZNVRNOLDH-FQEVSTJZSA-N 503.615 2.304 0 40 KEAB C[C@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1C(=O)c2ccccc2C1=O 12622285 XAMUSTBTPYACMI-CQSZACIVSA-N 519.963 2.291 0 40 KEAB Cc1cnn([C@@H](C)[C@@H](C)N(CCNS(=O)(=O)c2ccccc2)CCNS(=O)(=O)c2ccccc2)c1 69706170 HACGYWPEHPNBHC-YADHBBJMSA-N 519.693 2.400 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccccc3Br)S(C)(=O)=O)CC2)cc1 100075263 WZMJGUOKZIEDMH-UHFFFAOYSA-N 530.466 2.057 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 102965735 RNTZZLCNXJPCLR-PBIKNJLJSA-N 616.572 2.051 0 40 KEAB CC(C)C[C@@H]1NC(=O)[C@H]([C@H](C)c2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O 252463628 JYHXDMQYXCMDPF-NOUGRWDYSA-N 786.975 2.075 0 40 KEAB biogenic,in-vitro CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CNCCCn2ccnc2C)CCCCOC[C@@H](O)[C@H]1O 643586716 WYHQURDHUIXGKX-GSWOMDGUSA-N 619.779 2.243 0 40 KEAB COc1ccc(C(=O)NCc2cn3cc(Br)ccc3n2)cc1S(=O)(=O)N1CCOCC1 6134382 GVZANTRLVDEAHT-UHFFFAOYSA-N 509.382 2.056 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 6631993 ZDQWBWOFDJWWJQ-VPJOFFEXSA-N 522.602 2.058 0 40 KEAB COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1OC 13150600 RDPAKNVBCWNUTE-QFIPXVFZSA-N 503.621 2.029 0 40 KEAB CCN(C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1)[C@H]1CCS(=O)(=O)C1 17546208 OUMXRQGCXYXTBK-FQEVSTJZSA-N 550.655 2.029 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(F)cc2)CC1)Nc1cccc2ccccc12 19821046 CTTJOSGSJNQILE-RUZDIDTESA-N 503.578 2.457 0 40 KEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)C2=O)cc1 32978489 ZQAXFJIJYOYYKZ-MHZLTWQESA-N 507.591 2.074 0 40 KEAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1 59852186 DWUJECHPNVSGJZ-UHFFFAOYSA-N 560.094 2.135 0 40 KEAB CCCCn1c(CCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 103061065 OCIUFTGTMKPQAG-UHFFFAOYSA-N 583.667 2.318 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222393291 XKMCGTNGPFXKDY-IBGZPJMESA-N 503.621 2.476 0 40 KEAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223489399 VAYHMHLSSWWZID-NRFANRHFSA-N 503.621 2.210 0 40 KEAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)Oc3cc(C)ccc32)cc1 224246825 ADQZDXYCKYUIJY-SANMLTNESA-N 589.692 2.405 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 224631889 CPJXKMLHFPIJQI-UHFFFAOYSA-N 513.613 2.409 0 40 KEAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1 260885918 AUEAKIFOKGZTOH-LJQANCHMSA-N 509.650 2.129 0 40 KEAB CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 408595324 HBTORHMLMTUULB-LJQANCHMSA-N 513.576 2.287 0 40 KEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl 408606293 OOGQDWVRGVMUPF-UHFFFAOYSA-N 528.967 2.182 0 40 KEAB COc1ccc([C@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)c(OC)c1 524731950 QGVQMGDZHXAYGR-WWMYMODYSA-N 521.570 2.151 0 40 KEAB biogenic CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccncc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643574755 OOGLXSXAMTZSIS-JXFVGPSASA-N 690.801 2.235 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1CC 6860695 IQYYIEZLGWRGEY-JOCHJYFZSA-N 539.614 2.463 0 40 KEAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 15913537 TXBHNFMYJCXQJL-SANMLTNESA-N 522.583 2.266 0 40 KEAB COCCn1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccccc2F)CC1 20084154 NKFJDSYXRQAFCE-DEOSSOPVSA-N 523.569 2.229 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1 20676563 APFTWXYJBMTETB-NRFANRHFSA-N 504.418 2.471 0 40 KEAB CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccco2)(C(F)(F)F)C(=O)N3)cc1OCC 100121974 SKUAZLXFAHAXET-QHCPKHFHSA-N 536.463 2.309 0 40 KEAB CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)O)sc(C)c1C 103134433 NZIRPZBYYBFUFK-SGTLLEGYSA-N 533.024 2.405 0 40 KEAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222914887 LFFVREMVVYVQDF-LJQANCHMSA-N 503.621 2.210 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223060133 WOLAFAUOZMRNOX-AWEZNQCLSA-N 508.394 2.147 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 223446270 HPZHBIYKYRKYAF-QFIPXVFZSA-N 504.653 2.478 0 40 KEAB COc1ccc([C@@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1OC 257199229 XFMJHCZPTXJDKG-ILZDJORESA-N 521.570 2.151 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 409149657 MKHRQMJDHRVWLY-MOBKVPTQSA-N 517.563 2.264 0 40 KEAB CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCOC)c1ccc(OC)cc1 6631417 SXMBDBRVXQKLOL-NRFANRHFSA-N 527.603 2.382 0 40 KEAB CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)N(CC)[C@H]4CCS(=O)(=O)C4)cc3C2=O)cc1 13135895 ICEWADUFRTZGMY-SFHVURJKSA-N 514.556 2.078 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2F)CC1)Nc1cccc2ccccc12 19961713 HJEIHTRBBZQMJV-RUZDIDTESA-N 503.578 2.457 0 40 KEAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 20007230 RIQAPHCBGOOUGC-HXUWFJFHSA-N 503.602 2.179 0 40 KEAB CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)c1 30860556 JUQRUTDVPNPYCE-UHFFFAOYSA-N 502.574 2.490 0 40 KEAB CCCn1cc(C(=O)N2CCCN(C)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 67337853 LNYOULUJBVAHNZ-UHFFFAOYSA-N 509.076 2.235 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222917448 RBILMDUNOHBWOX-INIZCTEOSA-N 510.012 2.431 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 225483584 GIXPERGYSJBWGX-HNNXBMFYSA-N 512.426 2.387 0 40 KEAB O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CS(=O)(=O)C[C@@H]1N2S(=O)(=O)c1ccc(Cl)c(Cl)c1 575424779 MUUMPLKOQUBAAC-JVSBHGNQSA-N 684.450 2.327 0 40 KEAB CC(C)N1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CCO2)C1=O 643556188 HMJIIFGOOBILDY-GDLZYMKVSA-N 569.680 2.471 0 40 KEAB COc1cc(C)ccc1OCCNC(=O)[C@@H]1CCC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1 643579740 CPSWQZOGEYSZLT-BJKOFHAPSA-N 582.698 2.459 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOC[C@@H]2CCCO2)CC(=O)N[C@@H](CC(C)C)C1=O 643585258 UIAJFKVSXWIXMT-HVCNVCAESA-N 574.719 2.039 0 40 KEAB O=C(Cc1ccc2c(c1)OCO2)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1 1615104645 IGXAZCCTZLRKBZ-LOSJGSFVSA-N 553.656 2.303 0 40 KEAB C[C@H]1CC[C@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 2060999930 WBDDWIKJZNNKBQ-JWVZVHRXSA-N 766.966 2.492 0 40 KEAB Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3F)CC2)cc1Cl 19820870 ZQSPRLZBMOOLQH-QFIPXVFZSA-N 501.990 2.265 0 40 KEAB COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)NCc1ccccc1 20033216 NRCNOJPBILMQNO-UHFFFAOYSA-N 517.629 2.354 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2)CC1)OCO3 20081017 IPPYSNUZSJZWKP-CJFMBICVSA-N 515.574 2.334 0 40 KEAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)Oc2ccccc21 20494197 HZLPTHWPPKZDLQ-HXUWFJFHSA-N 502.574 2.438 0 40 KEAB COCCn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 100368724 VLMPECNEVZWMJH-UHFFFAOYSA-N 538.605 2.440 0 40 KEAB CC(C)C[C@H](NC(=O)CN1CCOCCOCCN(CC(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C)CCOCCOCC1)C(=O)OC(C)(C)C 150486066 DRCWKZOEINBESP-RNPORBBMSA-N 716.958 2.416 0 40 KEAB CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 164377440 BBAWEDCPNXPBQM-YQYHUCGXSA-N 679.863 2.446 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 224023430 HLMDHJDCLIMSSS-KRWDZBQOSA-N 507.609 2.032 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)C)c1 260730546 JREHRSGHUWJYTA-GOSISDBHSA-N 508.616 2.389 0 40 KEAB CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)N2C[C@H](C)O[C@H](C)C2)NC(=O)c2ccccc2OC[C@H](C(C)C)NC1=O 643564860 JZBUCXZXRPMIKS-VQPDEGQRSA-N 544.693 2.265 0 40 KEAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)NC(C)(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)cc1 643576526 OUESSTBTKJAJCT-VMPREFPWSA-N 657.768 2.064 0 40 KEAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)n(C)c1=O 1079987 WVASZENFDIDIND-UHFFFAOYSA-N 500.437 2.344 0 40 KEAB Cn1c(N)c(C(=O)CSc2nnc(-c3cccnc3)n2-c2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O 3409478 APCAKNIZFFKDHS-UHFFFAOYSA-N 517.493 2.303 0 40 KEAB CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 22246629 RKMSCYWEIMSHSZ-NRFANRHFSA-N 504.605 2.395 0 40 KEAB CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36295989 GMPPRVMYBRUCCQ-UHFFFAOYSA-N 506.698 2.442 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN(CC)Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)cc1 102889048 GBDBHHTUBCYZNC-UHFFFAOYSA-N 548.065 2.330 0 40 KEAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O 103142107 DBADHXTWZFBDPK-JOCHJYFZSA-N 541.413 2.420 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2cc(Br)c(N)c(Br)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 150663558 RAQHNWWPQJUHKT-CJSSEVFESA-N 655.318 2.163 0 40 KEAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(OC)c(OC)c2)C1 408663544 YOSIMEUULXKSKW-CQSZACIVSA-N 505.911 2.041 0 40 KEAB O=C(O)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Br 575422125 LGVALJXLEPKVGK-NSHDSACASA-N 519.233 2.254 0 40 KEAB CCOC(=O)[C@@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1cccc2ccccc12 2071242 QGBWDGWFKQAHDP-QFBILLFUSA-N 512.588 2.450 0 40 KEAB CCOc1ccc(NC(=O)NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)cc1OCC 13015350 OWFZIFWYHCUCOR-UHFFFAOYSA-N 509.537 2.171 0 40 KEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O 14675667 YWXQPAWWQYHJPU-QHCPKHFHSA-N 522.986 2.169 0 40 KEAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20032761 BGKUTPDVYMHKQK-UHFFFAOYSA-N 521.661 2.259 0 40 KEAB C[C@H](NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1)c1ccc(S(N)(=O)=O)cc1 38140457 FPFRNHJWBOUVPR-YWZLYKJASA-N 529.644 2.247 0 40 KEAB COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21 100876837 BQEBORFUYDZSDM-LCUIJRPUSA-N 580.710 2.218 0 40 KEAB O=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 103139446 JYFKVMCNNPFVSL-UHFFFAOYSA-N 562.648 2.422 0 40 KEAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 215967717 IZYSMGQZYWDWKN-MRXNPFEDSA-N 532.600 2.447 0 40 KEAB COc1ccc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2c1 224497448 ALYUDFOMHFJAMD-UHFFFAOYSA-N 506.602 2.227 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 225459369 RTPNCSPNYVLNTR-INIZCTEOSA-N 511.442 2.225 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)c2ccccc21 409388058 KBOJOHJBFVQWEW-UYUFHXMSSA-N 618.712 2.401 0 40 KEAB CO[C@@]12O[C@@]3(C)CC[C@@H](OC(=O)[C@@H]1[C@@H]1[C@@H]4[C@H](C[C@H]13)C(C(=O)O)=C[C@@H]1[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@@H]14)[C@@H]2C 514287941 LFQXXBVNHBMYJD-UHLOLYMKSA-N 504.576 2.157 0 40 KEAB biogenic,in-vitro COCC(=O)N1CCN(Cc2cccc(OCCn3cccn3)c2)C[C@](O)(COc2ccc(C)cc2)C1 585274982 SOEMKZOAHFGTKD-MUUNZHRXSA-N 508.619 2.371 0 40 KEAB COCC(=O)N1C[C@H](CC(C)C)N(C(=O)/C=C/c2cccs2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1 643586340 LNZPERJANUXWSB-SGQVZVBOSA-N 526.696 2.027 0 40 KEAB CCc1ccc(OC)c(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3cc(CC)ccc3OC)CC2)c1 16780571 LZIPPQBOZICKDP-UHFFFAOYSA-N 525.693 2.113 0 40 KEAB Cc1cc(NC(=O)Cn2c(=O)n(CCC(=O)NCCc3ccc(Cl)cc3)c(=O)c3sccc32)[nH]n1 20151646 JQKACKZNWLKOBV-UHFFFAOYSA-N 514.995 2.297 0 40 KEAB COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 59607346 DOFZJHJXQYCSBM-JOCHJYFZSA-N 563.577 2.200 0 40 KEAB CC(C)[C@H]1C(=O)N2CCC[C@@H]2[C@@]2(O)O[C@@](NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 60027359 UJYGDMFEEDNVBF-NNYIPMKXSA-N 561.683 2.040 0 40 KEAB O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 100338272 XEDZYDDGMULMKZ-UHFFFAOYSA-N 529.640 2.400 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 100720346 BSMKKHOBVIMUCZ-SEXPAEGTSA-N 538.578 2.359 0 40 KEAB CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)s1 102862450 ASWJANLEERLIFL-UHFFFAOYSA-N 532.637 2.193 0 40 KEAB CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](O)C[C@@]43O)C2)[C@@H]1O 118918100 CPFNIKYEDJFRAT-WEMXNBSNSA-N 550.689 2.081 0 40 KEAB CC(=O)OC[C@H](O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@]4(O)C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@H]3CC[C@]12C 118928068 KULCHMMNCMFNLY-QPZZKXGNSA-N 510.624 2.274 0 40 KEAB O=C(NCCCO)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223005159 YPQJWZZFRFGJCL-LJAQVGFWSA-N 595.718 2.225 0 40 KEAB Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 224290322 QYRZDVHQEGWSNI-UHFFFAOYSA-N 530.068 2.394 0 40 KEAB COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1Cl 224304457 OZELDXAZUVAFIL-KRWDZBQOSA-N 560.094 2.483 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)c(=O)n2[C@@H]1c1ccc(C)cc1 408821174 DEDOGUCGUVJSQT-GHXDKIENSA-N 560.657 2.123 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cccs1 409174680 NUQAFQOFSNWXAG-INJUALFYSA-N 553.662 2.097 0 40 KEAB O=C1CN(CCCOc2ccc(CN3CC[C@H](O)[C@@](O)(COc4ccc(Cl)cc4)C3)cc2)C(=O)N1 585282084 XNQVJSUVVPUVFV-DHLKQENFSA-N 503.983 2.037 0 40 KEAB CCc1cc(C(=O)N2CC[C@@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)c2c(O)nc(=O)n(C)c2n1 2037879965 ZKJJESVUIWGSKH-NPAAKHOSSA-N 642.757 2.418 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1OC 680803 XAGCJEMXPIBHOH-HVQRGMKJSA-N 509.584 2.237 0 40 KEAB NC(=O)c1c(NC(=O)COC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)sc2c1CCC2 2637791 MMLPMOGRTMXEEF-UHFFFAOYSA-N 519.523 2.205 0 40 KEAB Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c12 2662844 LXCBEUYUYNMLKB-UHFFFAOYSA-N 524.537 2.415 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccc(O)cc2)CC1)OCO3 6444892 XMHWMJUQFPAYDC-CPJSRVTESA-N 531.573 2.040 0 40 KEAB O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(C[C@@H](O)COC[C@H]2COc3ccccc3O2)CC1 22914707 NYZDWHKNLSAHAP-PKTZIBPZSA-N 531.609 2.271 0 40 KEAB COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)N(Cc1ccccc1)C(C)C)c(=O)n2Cc1ccccc1 103054398 UGRFTQXQERYUON-UHFFFAOYSA-N 547.612 2.035 0 40 KEAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1 223256810 FRQRKHIEETYIPG-VWLOTQADSA-N 533.691 2.458 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 224240458 GBGWPCSDIKWCBA-UHFFFAOYSA-N 544.095 2.327 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 224320243 WROBKXSMFMSJJS-GOSISDBHSA-N 527.690 2.129 0 40 KEAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 226086143 XPXWQZQMUUGTSD-UHFFFAOYSA-N 523.677 2.287 0 40 KEAB COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3C)CC2=O)c1 408652257 GCJNMSASHPCTHM-HNNXBMFYSA-N 534.363 2.450 0 40 KEAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 408713819 ZOILQSKFNHXJJM-LJQANCHMSA-N 519.595 2.308 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409010282 BPRMTIWKBAWOSV-RFZPLYKNSA-N 591.686 2.435 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@H]3CC[C@@]12C 584578253 RWXIFXNRCLMQCD-LCGKVDSXSA-N 785.025 2.149 0 40 KEAB CCC(CC)NC(=O)[C@@H]1CC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1 643582558 KVESUNRFQPGLNP-XZOQPEGZSA-N 508.619 2.058 0 40 KEAB Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2ccco2)C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 12374406 BLVMGAKUZJVNOP-OAQYLSRUSA-N 501.586 2.164 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 20031735 RJMPAAFWVBJNGZ-UHFFFAOYSA-N 521.661 2.197 0 40 KEAB CCOC(=O)C1=C(COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)NC(=O)N[C@H]1c1ccco1 24002461 GGLHGMBOLFPKPM-NRFANRHFSA-N 517.560 2.482 0 40 KEAB CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)N1CCCC1 26114818 YHSMWJZVNBEUNM-UHFFFAOYSA-N 525.674 2.466 0 40 KEAB CC(=O)N[C@H]1[C@H](Sc2nnc(-c3ccncc3)n2-c2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70712143 DENAINJVSPVEOB-YLLXKFEGSA-N 583.623 2.078 0 40 KEAB biogenic CCOC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)sc(C(=O)NC)c1C 97981485 LWICURFPYIIYOK-UHFFFAOYSA-N 536.676 2.155 0 40 KEAB CCCn1c2c(c(=O)n(CC(=O)Nc3ccccc3F)c1=O)C(=O)[C@@H](C)N2CC(=O)Nc1ccccc1F 102890238 FVQYWBIDOUEUMK-OAHLLOKOSA-N 525.512 2.367 0 40 KEAB COC[C@@]12CC[C@@H](OC)[C@]34[C@H]5C[C@]6(O)[C@@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)(C[C@H]6OC)[C@H]([C@@H](OC)[C@@H]13)[C@@H]4N(C)C2 102964313 REVYTWNGZDPRKE-WIODLORFSA-N 599.721 2.316 0 40 KEAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)ccc1N1CCOCC1 102998156 HKXDZRMONCPRAR-UHFFFAOYSA-N 568.608 2.430 0 40 KEAB O=C(CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O)Nc1ccc2c(c1)OCO2 409153499 IFHGBFOWKKKXSO-SRZZPIQSSA-N 525.539 2.328 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 409167290 IEIZMHVUXYUYDU-RBXKPUFLSA-N 607.685 2.053 0 40 KEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)O)c(I)c2)C1=O 409234218 JEDUFCPFPOKJHD-OQLLNIDSSA-N 551.293 2.295 0 40 KEAB CC(C)OC[C@@H](O)CNC(=O)CN1CCCCCCOc2ccccc2N(CC(=O)NC[C@H](O)COC(C)C)c2cncc(c2)C1=O 643585228 TWPRSDMFHYJIIH-VMPREFPWSA-N 657.809 2.419 0 40 KEAB Cn1cc(-c2ccc3c(c2)NC(=O)CN2CCN(S(=O)(=O)c4cccc(Cl)c4)C[C@H]2CO3)cn1 1772594677 SILAYFPJGGOJRB-IBGZPJMESA-N 501.996 2.447 0 40 KEAB COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6905021 HGJKTSZRSMPSCG-LJQANCHMSA-N 501.540 2.123 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8407006 KGPGRIRIXKHZJN-KXEXVWEYSA-N 729.816 2.466 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)CC2)cc1 13145334 FGHCRRBVPNNURW-UHFFFAOYSA-N 516.041 2.136 0 40 KEAB COc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1S(=O)(=O)N(C)Cc1ccccc1 14357083 SHHJUFQYTYQHCM-UHFFFAOYSA-N 503.577 2.441 0 40 KEAB c1ccc2[nH]c(N(CCN3CCOCC3)Cn3c(NCCN4CCOCC4)nc4ccccc43)nc2c1 20635028 LESBQMFSYSQQTF-UHFFFAOYSA-N 504.639 2.453 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OC)CCN(C(C)=O)C4)cc2)CC1 97963501 HFAKBZKTDYPLNL-UHFFFAOYSA-N 578.669 2.154 0 40 KEAB CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3I)cc2)CC1 100370722 JCVHUUZKPYHUDK-UHFFFAOYSA-N 544.440 2.500 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)CSc2ccc3ccccc3c2)c(N)n(Cc2ccccc2)c1=O 103106056 NJMFNUJBMHZXOJ-UHFFFAOYSA-N 547.589 2.485 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222438245 HRGLGFZUOSWDGS-IBGZPJMESA-N 503.621 2.476 0 40 KEAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223225985 XFVVQVHNKBMCKT-HXUWFJFHSA-N 507.584 2.306 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C(=O)NCCN2CCOCC2)c2ccccc2)cc1 223509464 BZUVLMSPNGVREJ-MGBGTMOVSA-N 666.797 2.313 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224237092 VPZLCVQJTCLMHX-FQEVSTJZSA-N 518.057 2.330 0 40 KEAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 260714972 KWBNDEYGWPQEDZ-FQEVSTJZSA-N 553.678 2.378 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409038818 PPFDMFODJOCVBD-BLJGQIRFSA-N 582.631 2.463 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc(OC)c3OCC(=O)N3CCOCC3)C2=O)o1 409399253 HCMGYMZVEGVMIT-LICLKQGHSA-N 533.921 2.059 0 40 KEAB Cc1cc(C(F)(F)F)nn1CCC(=O)N1CCC2(CC1)CNC(=O)COc1ccccc1C[C@H](O)[C@H](O)C2 643566845 XXAPWCIOOPNCNL-VQTJNVASSA-N 538.567 2.072 0 40 KEAB O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccncc1)CC2 1548890202 NFMUVNYNHBLMOF-RPBOFIJWSA-N 563.680 2.201 0 40 KEAB CC1(C)CC[C@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O[C@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 1857789592 KAYMPWXMHIUNGC-BHLHLVSESA-N 766.966 2.494 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3cccc(C)c3)CC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 2037946986 TXKSFRYSPYBJGQ-NDEPHWFRSA-N 533.616 2.205 0 40 KEAB O=C1c2cc(Br)cc(Br)c2OCC1(CN1CCOCC1)CN1CCOCC1 15229111 PJJAUSYIRUWVPM-UHFFFAOYSA-N 504.219 2.438 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)c1 33634961 SPHPVEMVVKGINJ-UHFFFAOYSA-N 519.601 2.181 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1OC 100277530 LBSAIQUTRGSPBD-WOVHNISZSA-N 568.631 2.303 0 40 KEAB CCOC(=O)C1=C(COC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccco1 102220470 QIUYPJULCGOZEK-LAUBAEHRSA-N 567.642 2.103 0 40 KEAB CC(C)C[C@H](NC(=O)CN1CCOCCOCCN(CC(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)CCOCCOCC1)C(=O)OC(C)(C)C 150486063 DRCWKZOEINBESP-KYJUHHDHSA-N 716.958 2.416 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 222937157 QNZUSPPBIZDNBL-UHFFFAOYSA-N 511.622 2.283 0 40 KEAB O=C(NCCN1CCOCC1)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223153514 YUWSGGTZICCWAY-YTTGMZPUSA-N 668.788 2.314 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 223995248 IYRUKBARWZXWNN-FQEVSTJZSA-N 504.653 2.478 0 40 KEAB C[C@H](O)[C@H](CCCCCCCCCCCCCCCC[C@H](O)[C@@H](C)NCC(=O)O)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253529490 BFJZLVDYMQIIMI-UMOAGZNSSA-N 593.799 2.218 0 40 KEAB biogenic,in-vitro O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 408695521 VVZMWFHVEQOQAB-UHFFFAOYSA-N 525.624 2.027 0 40 KEAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59852016 IPWVFPBDVMVMLX-UHFFFAOYSA-N 565.714 2.322 0 40 KEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(C)(C)CNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)cc2)C[C@@H](C)O1 96022399 AVSHDWPJCNVDBH-WAPCQROESA-N 664.847 2.468 0 40 KEAB CC(=O)N[C@H]1[C@H](Oc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 102322439 BKIYUCHNBWYLJL-IPVPECPMSA-N 609.632 2.175 0 40 KEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)CC2)c1 103021068 WYWDMOOLUMHCEB-UHFFFAOYSA-N 534.704 2.301 0 40 KEAB CN(C(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 103141646 NTLGPBMOEFIHHE-UHFFFAOYSA-N 524.628 2.099 0 40 KEAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1S(=O)(=O)N1CCOCC1 223078580 QLMLHBMDQHDWKH-UHFFFAOYSA-N 574.062 2.274 0 40 KEAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)N1CCCCCC1 224457455 VGICKHPBVBFUJH-UHFFFAOYSA-N 581.713 2.090 0 40 KEAB Cc1noc(C)c1CN1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NC(=O)NC(C)C)[C@@H](CNC(=O)[C@@H]2C1)O3 253400176 KWALWHWOQXAHNY-SDBGCZOPSA-N 582.702 2.141 0 40 KEAB COC(=O)c1cc(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)cc(C(=O)OC)c1 408605337 GNFHAQWGHZIGSM-UHFFFAOYSA-N 513.366 2.423 0 40 KEAB O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)N(Cc1cnc[nH]1)C2 514287538 JHHPHUNJKAQPSQ-QIXRUXETSA-N 545.640 2.257 0 40 KEAB CC(C)C[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccc2)CC(=O)N1C 643571396 KMAXOULREPRPMR-GQDFKNHFSA-N 621.779 2.445 0 40 KEAB O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(CC1CC1)CC2 1548889024 DXLZHOYSERMQDW-PKTZIBPZSA-N 526.659 2.016 0 40 KEAB Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)N1CCOCC1 13148760 LQWVMHMZNAAWOZ-UHFFFAOYSA-N 507.634 2.443 0 40 KEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)n1 20111707 QAYSIZHTBPSGJM-FQEVSTJZSA-N 517.589 2.060 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccc(F)cc4)CC3)CC2)cc1 30851452 QIQXMWDBEBVELK-UHFFFAOYSA-N 523.652 2.209 0 40 KEAB COC(=O)Cc1c(C(=O)OC)sc2nc(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)[nH]c(=O)c12 102903728 WGJIWAZKPCZJPS-UHFFFAOYSA-N 525.509 2.223 0 40 KEAB COc1ccc(-n2c(S)c(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)[n+]3cc(C(N)=O)ccc23)cc1 102924964 GQTIVOCHHHHWBV-UHFFFAOYSA-O 540.647 2.423 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 223263815 OBHXVGOTQQUJIN-UHFFFAOYSA-N 503.628 2.117 0 40 KEAB CN(c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c(Cl)c1)S(C)(=O)=O 224338309 HMKDOUZBUFTDDZ-UHFFFAOYSA-N 516.041 2.329 0 40 KEAB CO[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2OC 256507540 MGJMLMORVVDLIU-DGHICOIASA-N 572.651 2.390 0 40 KEAB biogenic Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3ccc(C)o3)n2)o1 888380 PRVYHZPJZWVGJM-VWLOTQADSA-N 539.637 2.494 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N 6546958 UQNNGSPJPIAVBI-FQEVSTJZSA-N 531.541 2.165 0 40 KEAB CCOC(=O)N1CCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)CC1 13005179 HNYQVUIJDREIAC-UHFFFAOYSA-N 523.652 2.165 0 40 KEAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 13150070 QEQJNCHKRGBMDQ-QFIPXVFZSA-N 511.556 2.353 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20031547 YICGHEVMTSYWJQ-HNNXBMFYSA-N 516.041 2.116 0 40 KEAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 23043191 GMDWIQBUAIJNAT-UHFFFAOYSA-N 519.620 2.060 0 40 KEAB COc1ccc(-c2cc(C(=O)N3CCN(CCc4ccccn4)CC3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 96125580 WHRUVMHLIRNTJT-JOCHJYFZSA-N 509.632 2.314 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)c1 102350309 WOYFIAMEQNYWIE-UHFFFAOYSA-N 545.618 2.481 0 40 KEAB COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc(OC)c1OC 103026245 RJXPIMPXXVRHHA-QGZVFWFLSA-N 577.612 2.227 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCCN1CCc2ccccc2C1 225025430 QUUAGAIZZAXCMF-UHFFFAOYSA-N 501.649 2.213 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@@H]1c1cccs1 409155824 DDZIZGAAZBHFMR-CINCIDGWSA-N 597.715 2.496 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21 409387637 JFIRZQOVFFEYBU-NPJIAGGLSA-N 575.643 2.475 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4Cc4ccsc4)NC3=O)O2)cn1 514287554 KWSIKBBHYFRIMU-ZUGAHZRVSA-N 565.696 2.329 0 40 KEAB O=C(CN1CCN(CCO)CC1)N1CCC(c2cncc(Nc3ncc(-c4ccccc4)s3)n2)CC1 585263152 PCWDGHSUUDJZPX-UHFFFAOYSA-N 507.664 2.660 0 40 KEAB O=C1CN(CCCOc2ccc(CN3CCOC[C@](O)(COc4ccc(Cl)cc4)C3)cc2)C(=O)N1 585274658 YADUGKPBDCXYAQ-VWLOTQADSA-N 503.983 2.303 0 40 KEAB CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)[C@H]1CCS(=O)(=O)C1 13527253 VNTISDIOZWRTSL-PXNSSMCTSA-N 520.629 2.019 0 40 KEAB COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 19818719 LLLAVFNWBNYUFF-QHCPKHFHSA-N 514.026 2.135 0 40 KEAB COc1ccc(S(=O)(=O)NCCC(=O)N2CCC(C)CC2)cc1N(C)S(=O)(=O)c1ccccc1 95117003 IURAPAQCDKJCGW-UHFFFAOYSA-N 509.650 2.447 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)C[C@]12C 257375631 AGBCLJAHARWNLA-QDAMNUCNSA-N 785.025 2.147 0 40 KEAB endogenous,in-man Cc1cc(C)cc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1 260892257 XCLYOZUDZMLGDO-HXUWFJFHSA-N 523.677 2.438 0 40 KEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl 408625871 UKUSADZSJNGQTB-MRXNPFEDSA-N 510.012 2.479 0 40 KEAB CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cccc(Br)c1 409025397 QRKWNIRQCUHDBW-UHFFFAOYSA-N 510.410 2.288 0 40 KEAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O 643573822 YQBNHBKOEVLCBI-IGCNPUSTSA-N 681.806 2.358 0 40 KEAB COc1c2c(c(CNC(=O)CC3(c4oc(C)cc(=O)c4O)CCOCC3)c3c1OCO3)CCN(C)C2 1547138560 NFMJULFCTCZLOR-UHFFFAOYSA-N 500.548 2.134 0 40 KEAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 1187633 UMTTZIGMGHGZIC-IYMWYRQMSA-N 506.536 2.314 0 40 KEAB COC(=O)C1=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 1838922 KWNSCVMYLYVJOF-PSJJOBAMSA-N 590.679 2.436 0 40 KEAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)cc1 4177829 FTEWUMQUBFHKLT-UHFFFAOYSA-N 538.692 2.149 0 40 KEAB CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C)c1ccccc1 6546429 MMDPQKCHJAWNIS-UHFFFAOYSA-N 559.670 2.191 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccccc1OC)C(=O)c1snc(C(N)=O)c1N 6546972 SZWCXLNWYKAJHD-NRFANRHFSA-N 543.577 2.035 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 8401167 YNJBFRQVLBEXKL-UXSGUKRJSA-N 699.790 2.457 0 40 KEAB CSC[C@@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C 52781198 NJBBLOIWMSYVCQ-NANFOGFDSA-N 667.854 2.366 0 40 KEAB CC(=O)N[C@H]1[C@H](Sc2nnc(COc3ccc(C(C)(C)C)cc3)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70712294 VUEIIBXTOTUGJY-OSQINFKHSA-N 606.698 2.440 0 40 KEAB biogenic Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@H](C)n4nc(C)c(Cl)c4C)[C@H]3SC2)s1 97945478 GJSFKTMPTNFHKN-VNQQYTOKSA-N 529.069 2.405 0 40 KEAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCC(=O)OC)c(OC)c3)c2=O)=N1 409033492 FLAWZEFNCZWWQJ-WNOSOOIWSA-N 522.579 2.359 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409041386 VLCRJRSHWVDTSL-TUPCFRFDSA-N 624.716 2.094 0 40 KEAB Cc1ccc(S(=O)(=O)NCCN([C@@]2(C)CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2C)c(C)c1 575424765 MIEOTODWFKKODS-QHCPKHFHSA-N 528.718 2.467 0 40 KEAB CC(=O)N(C)CCC[C@H]1C(=O)N(C)CCCCN(C(=O)CCN2CCCC2=O)CCCOc2ccccc2C(=O)N1C 643560372 SVBCBXIJFYSPFI-SANMLTNESA-N 585.746 2.248 0 40 KEAB Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3COc3ccccc3C(=O)N2)cc1 643578398 UNLRSWKTOHAFID-RCSBWOJUSA-N 550.656 2.203 0 40 KEAB COCc1nnc(NC(=O)CN2CC[C@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)s1 2037879176 CPFCPPXALOZYQP-RBZQAINGSA-N 596.754 2.304 0 40 KEAB CC(C)=CCC[C@](C)(O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)C[C@@]12C 2061001114 VHVHTNGBFJFMJS-RXLGZRMXSA-N 785.025 2.149 0 40 KEAB CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)c2ccccc21 2059885 CIDWNQHXLKUQMM-UGUGFTGJSA-N 531.590 2.460 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c(N)n(Cc2ccccc2)c1=O 13058761 PVLPUQUJVKYESN-UHFFFAOYSA-N 507.543 2.151 0 40 KEAB CC[C@@H](C)N(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@@H]1CCS(=O)(=O)C1 23080649 JMBOKOCQFJPQRB-TZIWHRDSSA-N 528.693 2.062 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cccc2ccccc12 59781990 FQJXAJDHNXYBPF-VWLOTQADSA-N 543.624 2.042 0 40 KEAB Cc1cccc(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)c1C 102920887 QFZVZPSJWTWDEY-UHFFFAOYSA-N 531.660 2.204 0 40 KEAB CCOC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@]4(O)C[C@@H](OC(C)=O)C[C@@H]5OC(C)(C)OC[C@]54[C@H]3[C@H](O)C[C@]12C 123308659 LGDAHNTXQYCQII-NGCHUVOVSA-N 510.624 2.082 0 40 KEAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222938435 QQHSNQVQAAZCHP-OAQYLSRUSA-N 519.664 2.417 0 40 KEAB C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224483994 JWMFTAJCTHDNPA-INIZCTEOSA-N 580.512 2.364 0 40 KEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 514300106 SVAZHMDDWYWBSL-JAEQASBZSA-N 654.701 2.011 0 40 KEAB CC(C)[C@H]1NC(=O)[C@H](C)NC(=O)CC[C@@H](C(=O)NCc2ccc(CN3CCCCC3)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643569034 JPMIXIYMUISIDL-FPDKQSMYSA-N 662.832 2.410 0 40 KEAB CC(=O)N[C@@H](C(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3)C(C)C 2037829066 XUUUAUDRNRZKFN-GWMMUDDPSA-N 552.716 2.355 0 40 KEAB CCOC(=O)CN1C(=O)[C@@]2(N[C@@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c2ccccc21 12413367 XWLRTNZHBAPKED-KKBCGBJISA-N 507.612 2.318 0 40 KEAB COc1cc(CC(=O)OCC(=O)COC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 12579444 LAKRQSSKHOPTDA-UHFFFAOYSA-N 506.504 2.179 0 40 KEAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1 20492904 BKEXWFLQRAOJDA-UHFFFAOYSA-N 519.689 2.378 0 40 KEAB CN(C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23078886 NHCAEXFIEVDPMV-UHFFFAOYSA-N 513.554 2.414 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1 224261668 HMRYETTWBWUQDX-IBGZPJMESA-N 544.095 2.327 0 40 KEAB Cc1cc(=O)c2c(O)c(OS(=O)(=O)O)c(O[C@@H]3O[C@@H](CO)[C@H](OC(=O)/C=C/c4ccc(O)cc4)[C@@H](OC(=O)/C=C/c4ccc(O)cc4)[C@@H]3O)cc2o1 253529813 UPZMVRPHQPHKKL-RACQQRNMSA-N 742.664 2.107 0 40 KEAB biogenic,in-vitro CNCC(=O)Nc1cc(Cl)ccc1OCCc1cc([C@H]2CN(C(=O)c3ccc(N)nc3)CCO2)n[nH]1 257336706 YPRCJQHBXOUQJC-OAQYLSRUSA-N 513.986 2.033 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCCN(C)C)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O 643568174 NIESAHVZKGLTSI-STXQHDJLSA-N 579.742 2.284 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1 6546620 LZZCPRFMUQXFHG-JOCHJYFZSA-N 555.613 2.217 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1N 12474100 VWDJQIVHZARORL-PXNSSMCTSA-N 513.551 2.352 0 40 KEAB Cc1ccc(Cn2c(=O)c3ccc(C(=O)NC(C)C)cc3n3c(=O)n(CC(=O)NC4CCCC4)nc23)cc1 45943473 VHFFKNCNTMIMLA-UHFFFAOYSA-N 516.602 2.365 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)O)C(C)C 70700644 TUYUARLXNQWHBX-QMZRJTEUSA-N 522.602 2.230 0 40 KEAB biogenic C[C@@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 85627791 WBWWGRHZICKQGZ-PWLFUZCRSA-N 515.713 2.368 0 40 KEAB endogenous,in-man CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]1OC(=O)c1ccccc1 94307132 BULYHPSCLBKULD-NYHFRNAFSA-N 716.689 2.166 0 40 KEAB in-vitro O=C(Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 98042987 PDCPMZFFFHODQN-UHFFFAOYSA-N 527.580 2.488 0 40 KEAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)COC(=O)CNC1=NS(=O)(=O)c3ccccc31)CC2 103066541 MZBRXPLBJRFJCZ-HHHXNRCGSA-N 549.605 2.460 0 40 KEAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c1 103073646 MUKFUMDSSJWDTO-UHFFFAOYSA-N 528.564 2.110 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1 109267675 RMDHDHDZSGPXMU-UHFFFAOYSA-N 522.432 2.419 0 40 KEAB COCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(C)cc(C=O)cc1C 219026178 HDRJZNKNLGPRSQ-UHFFFAOYSA-N 544.638 2.174 0 40 KEAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222857411 SEFNARYZHMVHGL-OAQYLSRUSA-N 565.664 2.186 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224989426 DMLCKMICSLTKIP-SFHVURJKSA-N 521.636 2.422 0 40 KEAB CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)CC(C)C 226098254 LOHDEFSMLITXTG-VCAFKBFISA-N 774.964 2.195 0 40 KEAB in-vitro CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c3ccccc23)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253475954 AQBUEVUUOYUTIV-OBFCVXELSA-N 547.538 2.043 0 40 KEAB CCOC(=O)COc1c(I)cc(/C=C2/NC(=O)NC2=O)cc1I 408917083 MFXGUSMXNNVTDQ-BJMVGYQFSA-N 542.067 2.018 0 40 KEAB O=S1(=O)C[C@@H](O)[C@H](N(CCNS(=O)(=O)c2ccc3ccccc3c2)S(=O)(=O)c2ccc3ccccc3c2)C1 575420238 BBHQMJSQCLBCSA-CLJLJLNGSA-N 574.702 2.120 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(F)cc3)c2=O)=C(C(=O)OCC)[C@H]1c1ccc(F)cc1 2217824 PPLOIIXRCYDQIO-LJLZWOEMSA-N 512.534 2.218 0 40 KEAB COCCN(C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12535325 RBHUUJJAYJCNNT-UHFFFAOYSA-N 516.480 2.215 0 40 KEAB CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 12640545 IDOIFDKKYYSYDJ-NRFANRHFSA-N 507.056 2.096 0 40 KEAB CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)nnc1-c1ccncc1 13135932 SJIAZVRXLMYUGQ-UHFFFAOYSA-N 518.621 2.120 0 40 KEAB O=C(CN1CCN(CC(=O)Nc2ccc(Br)cn2)CC1)Nc1ccc(Br)cn1 19943222 XQVDLAKQPYZXEC-UHFFFAOYSA-N 512.206 2.196 0 40 KEAB CCCN(C(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38139391 GMLXZECEHPGZPR-MHZLTWQESA-N 549.609 2.082 0 40 KEAB Cc1c(CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NC(C)C)C(C)C)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 79232014 XQTVLKBKUIUZEC-XIFFEERXSA-N 659.740 2.461 0 40 KEAB biogenic NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1N 100272771 TVJAGRCFIHEMLS-YJYMSZOUSA-N 529.600 2.298 0 40 KEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc2cc(S(N)(=O)=O)ccc21 100877573 SEMLQCMAMFJDNE-OHYPFYFLSA-N 614.727 2.401 0 40 KEAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223004039 HMLYQGVPTVIOFK-MHZLTWQESA-N 551.665 2.472 0 40 KEAB COC(=O)CSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)s1 224606721 DEXDUFGHIMHRMX-MRXNPFEDSA-N 506.587 2.398 0 40 KEAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 224608157 XHTSSISIWKFMJN-OAQYLSRUSA-N 505.637 2.456 0 40 KEAB C[C@H]1O[C@H](O[C@H]2[C@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253618034 LTMHDMANZUZIPE-CVLUMUJGSA-N 780.949 2.218 0 40 KEAB Cc1nc(C)n(CCC(=O)N2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)n1 1615105523 AVSCHGXCVNQOAP-KWXIBIRDSA-N 562.715 2.493 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1 6546668 PTQONIRVWVBJOG-HXUWFJFHSA-N 513.551 2.339 0 40 KEAB CCn1c(COC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)nc2cc(S(=O)(=O)N(C)C)ccc21 12524788 RMSHNJGBEOUGER-CQSZACIVSA-N 509.610 2.407 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 59418619 ZAKDWFBMOSKBMC-GSOQPGDSSA-N 506.536 2.452 0 40 KEAB COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4cccc(Cl)c4)C[C@H]3C(=O)NC[C@H]1O2 253398786 HMUUYRCTPMXNBB-CFJXPYFLSA-N 585.101 2.244 0 40 KEAB CC(=O)Oc1ccccc1C(=O)O[C@@H](C)C(=O)OCCOC(=O)[C@H](C)OC(=O)c1ccccc1OC(C)=O 263583722 VVKXTLBUVPMIFD-HOTGVXAUSA-N 530.482 2.414 0 40 KEAB COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O 524730110 WBZMVKHHJJWYLF-HXUWFJFHSA-N 524.526 2.361 0 40 KEAB biogenic COCC(=O)N1CCN(CC2(O)CCN(c3ccccc3F)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 585282085 GWPMSYMGRIGADK-GDLZYMKVSA-N 529.653 2.375 0 40 KEAB CC(=O)N1CCCN(C)CCN(C(=O)CC[C@@]2(c3ccc(F)cc3)NC(=O)NC2=O)Cc2ccccc21 643557220 KJAJSYPQJKIMQN-MHZLTWQESA-N 509.582 2.358 0 40 KEAB Cc1c([C@H](C)[C@@H]2NC[C@H](C)C[C@@H]2O)ccc2c1C[C@H]1[C@H]2CC=C2C[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]21C 1857787587 WXQHVBNTINGJJR-QAKHJWHTSA-N 571.755 2.419 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC 6547028 UOXDSOHRWFWKHY-FQEVSTJZSA-N 529.550 2.039 0 40 KEAB CC(C)CN(C(=O)CN(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32972022 LJSOVUVLGXLJIQ-MRXNPFEDSA-N 508.019 2.343 0 40 KEAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 100377779 ICSZYYFFURIJJP-MHZLTWQESA-N 616.675 2.390 0 40 KEAB CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC(=O)Nc1ccc(F)c(Cl)c1 102777727 UYTRZXBHSGSMCY-QFIPXVFZSA-N 556.012 2.436 0 40 KEAB COC(=O)C1=C2[C@]3(O)C[C@@H]4C[C@@H]5[C@H]3CC[C@H](C)N5[C@@]24[C@@H]2CC[C@H](O)[C@H](OC)[C@@H]2[C@@H]1OC(=O)c1ccccc1 104329511 QERMOAWMXXPSEU-CNAJFHGXSA-N 523.626 2.474 0 40 KEAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(C)C 150340593 FYZXTAPKQMDZKT-UXAYAQJLSA-N 862.812 2.266 0 40 KEAB COc1cc(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c(OC)cc1Cl 224744464 DPFLSDGQQRYGPP-UHFFFAOYSA-N 512.028 2.272 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 225451721 ZFZHVTBPQWWKIA-HNNXBMFYSA-N 512.426 2.387 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)o1 245230495 SVWIVWPCVNQXMN-KGVIQGDOSA-N 514.608 2.347 0 40 KEAB COc1cc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c(OC)cc1Cl 260937271 PVZLUKYPCNQDIG-CYBMUJFWSA-N 505.014 2.404 0 40 KEAB COC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@@H]2CCCO2)c1 1222153 DTGGVOSBBLATPL-IBGZPJMESA-N 514.556 2.456 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2F)CC1)OCO3 6445582 XATHPEPYFMACGT-CJAUYULYSA-N 533.564 2.473 0 40 KEAB Cc1ccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 9764143 JBFVHXKRCJKUFK-XMMPIXPASA-N 509.584 2.411 0 40 KEAB CCCCCOc1ccc(C(=O)OCC(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 13163282 ZJWYXNUIQJNQCY-UHFFFAOYSA-N 504.584 2.180 0 40 KEAB CCCCCN(C(=O)CCC(=O)OCC(=O)NCc1cccc(OC)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O 38140302 WWNUBVCCQPSELW-UHFFFAOYSA-N 545.637 2.091 0 40 KEAB CCOC(=O)c1c(NC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)sc2c1CCCC2 101170404 VBXTZRIJUOTCTN-WMQCIHAUSA-N 541.575 2.100 0 40 KEAB COc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)C2=O)c(OC)c1 102988048 BJZDXFJIJCOAGI-LJQANCHMSA-N 527.521 2.361 0 40 KEAB CC(C)C[C@@H](NC(=O)CN1CCOCCOCCN(CC(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C)CCOCCOCC1)C(=O)OC(C)(C)C 150486072 DRCWKZOEINBESP-LOYHVIPDSA-N 716.958 2.416 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223011643 CVJZMYRQMABYDO-AWEZNQCLSA-N 508.394 2.147 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)cc1 224444467 KHVNYHGHKZNBRG-UHFFFAOYSA-N 589.692 2.107 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 224489811 BDMVCQUCFXBNMM-OAQYLSRUSA-N 505.612 2.254 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O 643569156 XIHVREPMCCRWDL-KYJUHHDHSA-N 655.752 2.288 0 40 KEAB COc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2cc1OC 6136447 OCMOJOBMVQHGGS-LVXARBLLSA-N 547.616 2.328 0 40 KEAB O=C(CSc1nc2ccccc2o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 12563700 XZUJXDVOQZDOFK-UHFFFAOYSA-N 518.617 2.416 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccco2)cc1OC 100290906 BEGQWNCQARNKFS-VLIAUNLRSA-N 529.575 2.118 0 40 KEAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225691137 JDMKKXRTCLWSFV-LJQANCHMSA-N 503.621 2.208 0 40 KEAB CC(=O)Oc1ccc(-c2coc3cc(O[C@H]4O[C@@H](CO[C@@H]5OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]5OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 257198419 PWNURKDPPRSGQU-NHMQWCTDSA-N 900.792 2.377 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)N2CCc3ccccc3CC2)NC(=O)c2ccccc2OCCN(C)C1=O 643565724 LSRHDVHKDJPRAN-DQEYMECFSA-N 534.657 2.184 0 40 KEAB CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)/C=C/c2cccc(F)c2)CCCCOC[C@@H](O)[C@H]1O 643586330 CPDZXSXHKFDYFM-MYGDPGPXSA-N 508.631 2.478 0 40 KEAB CC(C)C(=O)OC[C@H]1O[C@@H](n2cnc3c(=S)nc(N)[nH]c32)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C 4895985 JYRIUPYSGARBLC-OYUZRVEBSA-N 509.585 2.303 0 40 KEAB Cc1ccc2cc(CCNC(=O)C(=O)c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)[nH]c2c1 9519413 VGLLHEWLZKEBQM-UHFFFAOYSA-N 500.555 2.192 0 40 KEAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 12532507 OVSFZEBIELWDGL-GOSISDBHSA-N 502.511 2.318 0 40 KEAB CCOC(=O)[C@H]1C(c2ccc(OC)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F 13408067 VHFJTWKDAGBIQF-FQVGPWKCSA-N 503.392 2.242 0 40 KEAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1N 16756139 YINCPMYZDGAMKG-UHFFFAOYSA-N 502.553 2.383 0 40 KEAB CCOC(=O)CN(C(=O)c1ccc(CN2CCOCC2)o1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 19825935 BBAUGLUGKINMIR-SQJMNOBHSA-N 531.581 2.293 0 40 KEAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C(=O)O)[C@H](C)O 70699979 QVWRFGLEXKHDDK-WUQQSQAXSA-N 532.597 2.119 0 40 KEAB biogenic CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CCSC)C(=O)O 70704736 RAFSARHBQPWJQX-WIQPIVSASA-N 554.669 2.327 0 40 KEAB biogenic COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2cc(OC)ccc21 100877013 LYHVYCLLBUOBCC-WYRJXPFJSA-N 533.628 2.423 0 40 KEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1=O 103139640 HMHBLMRKQGJXAA-QLODZENZSA-N 532.594 2.419 0 40 KEAB O=C(NCCN1CCOCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223008795 REICOAQGLREALU-JGCGQSQUSA-N 650.798 2.175 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccc(OCC)cc1 409081175 JVSXEEZDSUHWBP-FCKOQQNDSA-N 532.622 2.387 0 40 KEAB O=C(CN(Cc1ccccc1)[C@H]1C=CS(=O)(=O)C1)CN(Cc1ccccc1)[C@H]1C=CS(=O)(=O)C1 575424096 RYBNYNFACSPPPC-ZEQRLZLVSA-N 500.642 2.181 0 40 KEAB CN1C(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H]1Cc1ccccc1 643569688 QNXHBCNXUNJLGN-IGBKUBFESA-N 661.731 2.112 0 40 KEAB COC[C@@H]1O[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)C=C([C@@H]4CC[C@H]5[C@]6(C)CC[C@@H](C(C)(C)O[C@@H]7O[C@H](COC)[C@H](O)[C@H](O)[C@@H]7NC(C)=O)O[C@H]6[C@@H](O)C[C@]45C)CC[C@@H]3O2)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O 1772591684 LFQPVWALRWUAGY-KSICIKCYSA-N 925.167 2.398 0 40 KEAB O=C(COC(=O)c1ccc(OC(F)F)cc1)NCCNC(=O)COC(=O)c1ccc(OC(F)F)cc1 12768907 COQVQLMCNRQWJQ-UHFFFAOYSA-N 516.400 2.136 0 40 KEAB Cc1c(CC(=O)NCC(=O)NCC(=O)N2CCC(C(N)=O)CC2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 97956984 HBAHCHKAYMKYIW-UHFFFAOYSA-N 558.591 2.013 0 40 KEAB COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(CCCC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccccc21 100852594 PKTPBPPKFGACBH-UHFFFAOYSA-N 572.574 2.414 0 40 KEAB O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 103020690 KXJFEEGXCPLYFW-UHFFFAOYSA-N 546.605 2.363 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 224036960 UYTXEEHLBVPAIX-HXUWFJFHSA-N 504.653 2.478 0 40 KEAB Cc1cc2nc(C)n(CC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cc(F)c(O)nc3=O)CO4)c2cc1C 257282606 OULZSNBYCCPLPD-PXDATVDWSA-N 513.570 2.137 0 40 KEAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCCN1CCOCC1 408618299 FYSDWLLCNFCAAS-UHFFFAOYSA-N 510.454 2.131 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3cc(C)cn3)c(OC)c2)C[C@@](O)(COc2ccccc2)C1 585279756 GSTRRAGTVSJVMK-LJAQVGFWSA-N 538.645 2.380 0 40 KEAB CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCOc2ccc(OC)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643565397 DTRSBVLPJWQWDW-PPNCUWOSSA-N 568.671 2.151 0 40 KEAB COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CNCC2CCOCC2)c1 643584907 MLUAZVTVKNLONQ-QAXKFHDJSA-N 621.816 2.249 0 40 KEAB Cc1cc(CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)O)nc(C2CCNCC2)n1 2037879903 WMWHQFXIQHKONT-ZEQRLZLVSA-N 525.650 2.233 0 40 KEAB CSc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)N(C(=O)c3cccn3C)C2)c1 4200928 QNKMMEUKEXFNEP-CUWPLCDZSA-N 514.652 2.168 0 40 KEAB biogenic,in-vitro CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccco2)cc1 6601001 FRZAHYCDSIGVJC-JXFKEZNVSA-N 513.576 2.499 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3ccc4c(c3)OCO4)n2)cc1OC 12480366 QAFNNXKJUGGRHK-UHFFFAOYSA-N 522.562 2.174 0 40 KEAB CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](CN3CCN(c4ccccc4)CC3)[C@H]1[C@@H]2OC(C)=O 70712345 AOTYYZLJECCICM-OXPWFEJJSA-N 528.646 2.257 0 40 KEAB biogenic COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 103084164 XAASVIBEWGKUIJ-UHFFFAOYSA-N 522.539 2.412 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@H]3C4C=CC([C@H]3C2=O)[C@H]2C(=O)N(c3cccc(S(=O)(=O)N(CC)CC)c3)C(=O)[C@@H]42)c1 195528973 GSHXHFGOLJGKKB-OUUZQZJESA-N 668.794 2.475 0 40 KEAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OC 408612156 ULNYXLDMQIKUCE-UHFFFAOYSA-N 523.567 2.460 0 40 KEAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 408695585 WMVQNHPSJKDOGZ-UHFFFAOYSA-N 539.701 2.469 0 40 KEAB CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OC[C@H](C(C)C)NC1=O 643565448 ZKZSMHZBYAGGTQ-ISJGIBHGSA-N 557.736 2.231 0 40 KEAB Cc1nc(O)cc(C(=O)N2CCC3(CC=CC[C@@H]4COCC[C@@H]4NC(=O)[C@H](CC(C)C)NC3=O)CC2)n1 2037879698 LSEWZHCTOXDING-HKBOAZHASA-N 513.639 2.115 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)n4nc(C(F)(F)F)cc4C)[C@H]3SC2)s1 2809381 PQWDWFMGUGKHFZ-YYDSMBMDSA-N 548.594 2.462 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc2c(c1)OCCO2)OCCO3 6446002 CSKOXRXSEOVSLX-SFHVURJKSA-N 514.556 2.440 0 40 KEAB CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 12561771 UBKDAMGONNDZEE-UHFFFAOYSA-N 524.665 2.056 0 40 KEAB Cc1cc(NC(=O)CSc2nc(-c3ccc(Br)cc3)nc3c2c(=O)n(C)c(=O)n3C)no1 38139085 PLEFUTZXAJYFLQ-UHFFFAOYSA-N 517.365 2.484 0 40 KEAB CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 57640401 OAKJHOKPRWQVOX-UHFFFAOYSA-N 522.562 2.306 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2C)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 101969394 XZVTYSMAGDMFFS-HOZVGSINSA-N 560.552 2.442 0 40 KEAB COC(=O)[C@]12C=C[C@@H](CC1)[C@H]1C(=O)N(c3cccc(N4C(=O)[C@@H]5[C@H]6C=C[C@@](C(=O)OC)(CC6)[C@@H]5C4=O)c3)C(=O)[C@@H]12 104058974 AQJQBGWZFOYOQM-PBDJGCQLSA-N 544.560 2.176 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 224256895 NQEFARHGBMTTHZ-LJQANCHMSA-N 548.083 2.339 0 40 KEAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C(=O)NC(C)C 224389697 ZHOBEODYLGSYBL-UHFFFAOYSA-N 539.676 2.365 0 40 KEAB CC[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O 1569992309 DFWHWFLWRXBPGX-YNQIROTRSA-N 597.716 2.471 0 40 KEAB CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(C(C)C)C2 2725200 IJWCRMDRERMCIC-UHFFFAOYSA-N 506.650 2.147 0 40 KEAB COc1ccc(CN2CCN(Cc3c(O)c(=O)cc(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)n3C)CC2)c(OC)c1OC 85875116 ZYBARTVCXKZHFE-VWNXMTODSA-N 605.736 2.216 0 40 KEAB biogenic COC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3ccc(OC(F)F)c(OC)c3)c(=O)n12 100935951 GNWJSWHLZQCMAD-ORSGLCOYSA-N 502.495 2.469 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224989388 DMLCKMICSLTKIP-GOSISDBHSA-N 521.636 2.422 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 409161547 VLOMVTFOLPFPDY-WALVNQSHSA-N 565.623 2.175 0 40 KEAB O=C(CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O)Nc1ccc2c(c1)OCCO2 409204227 DQVUTWQJDMEWAT-LPYMAVHISA-N 539.566 2.370 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 223994942 VAIXNPBDLGQBRA-QGZVFWFLSA-N 505.593 2.133 0 40 KEAB CCOc1ccc(N([C@@H](CC)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1 224255928 QINFSDOWVKJDRI-QFIPXVFZSA-N 527.665 2.075 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 224989333 KGGCEIFVHPSTFN-SFHVURJKSA-N 521.636 2.422 0 40 KEAB CC(C)(C)C(=O)N1CC(=O)N2CC[C@@H](CC(=O)N3CCN(C=O)CC3)[C@@H](/C=C\COc3ccccc3C1)C2 253394520 BERRMQUVSDWZPZ-WGTHZCDXSA-N 524.662 2.165 0 40 KEAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCC(=O)OC)c(OC)c3)c2=O)=N1 409033485 FLAWZEFNCZWWQJ-OBVMJLIASA-N 522.579 2.359 0 40 KEAB CO[C@]12c3c(C)cc(O)c4c(=O)occ(c34)C(=O)[C@@H]1[C@@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@@H]2[C@H]3OC(C)=O 1557747 WBQDAYWQELBEPU-JSQINEQVSA-N 546.484 2.341 0 40 KEAB CC(C)CN(C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 3871538 YMARZQAQMVYCKC-JRFVFWCSSA-N 505.637 2.403 0 40 KEAB biogenic,in-vitro CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 11026972 DHEYTJVPOXJDMJ-QJJBCJIQSA-N 579.580 2.044 0 40 KEAB COCCN(C(=O)COC(=O)Cc1cccc2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 15940405 VUJNPRUXTOMCKP-UHFFFAOYSA-N 516.554 2.086 0 40 KEAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 22869279 XDCKYQXJRARDBJ-CUNXSJBXSA-N 559.627 2.338 0 40 KEAB CCN(CC)CCN(C[C@H](O)COCc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccc2c(c1)OCO2 22921091 GLEVTDAVJUFVMD-PSWAGMNNSA-N 532.634 2.243 0 40 KEAB N=C(N)NNS(=O)(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O 29477939 PPUSFIIKTSRZNO-UHFFFAOYSA-N 573.843 2.111 0 40 KEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)C2=O)cc1OC 37187917 JTJKOYLTVGCCAK-JBEBIEQOSA-N 501.561 2.064 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cc1 41077445 DGAUEAMWHMHEBP-UHFFFAOYSA-N 503.631 2.395 0 40 KEAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 70687622 CHBDVMRGZGGYEG-UDNBHOFDSA-N 575.662 2.457 0 40 KEAB biogenic COc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(CCC(=O)Nc2ccc4c(c2)C(=O)N(CCC(=O)O)C4=O)C3=O)cc1 97994899 KYORBTNCVHJZNN-UHFFFAOYSA-N 614.567 2.408 0 40 KEAB O=c1cc(CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)nc2sc(-c3cccc(F)c3)nn12 102350315 YXUBGBZMBIDXTP-UHFFFAOYSA-N 543.631 2.468 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224469453 TYMKXPWLLNXGAK-QFIPXVFZSA-N 560.094 2.101 0 40 KEAB COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3)CC2=O)c1 408662049 WWPDLEBBKZAWNV-OAHLLOKOSA-N 534.363 2.450 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031642 HQVAJPWQTNYZAQ-RLFCKUQXSA-N 612.657 2.472 0 40 KEAB COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NCc2ccccn2)c1 409383148 RWSKWMSLUIBUOD-YADHBBJMSA-N 508.483 2.251 0 40 KEAB COCC(=O)N1CCCN(C2CCOCC2)CCN(C(=O)CCN2CCN(c3ccccn3)CC2)Cc2ccccc21 643558651 SJSMHZHJOGWJQY-UHFFFAOYSA-N 578.758 2.487 0 40 KEAB CN(C)c1nccc([C@@H]2CN(C(=O)CN3CCC4(CCCCc5ccccc5OCCNC4=O)CC3)CCO2)n1 643559041 ZPCCMFCCLWEOTK-SANMLTNESA-N 550.704 2.446 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@@]6(C(=O)O)CC[C@@]45C)C3(C)C)OC[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 2054340352 FYSAXYBPXKLMJO-UACQZXHRSA-N 897.109 2.373 0 40 KEAB C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@H]1[C@H]2C 2061000732 HDXIQHTUNGFJIC-DZBCQVRWSA-N 722.913 2.390 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 6546921 DZSUQNZTYQCUPF-NRFANRHFSA-N 520.571 2.373 0 40 KEAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1C 12486870 HEFSYOZNLFSCPR-UHFFFAOYSA-N 502.520 2.094 0 40 KEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c1C 32638430 BNCAKLLXIKFBBQ-UHFFFAOYSA-N 505.593 2.115 0 40 KEAB COc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1 100471915 GALNMQWZYSKOKF-JOCHJYFZSA-N 543.617 2.198 0 40 KEAB COc1ccccc1CNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O 101329949 AXJATQFTTFRPSC-UHFFFAOYSA-N 555.635 2.227 0 40 KEAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(C(=O)c3ccco3)CC1)n2CCCSc1nc2ccccc2o1 101462637 XCFRAUYWDBMCRU-UHFFFAOYSA-N 535.586 2.302 0 40 KEAB COc1cc(CNC(=O)c2ccc(N3CCOCC3)nc2)ccc1OC(=O)c1ccc(N2CCOCC2)nc1 102761775 ZGVWWEJFQQQYGC-UHFFFAOYSA-N 533.585 2.308 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](Cc2ccccc2)C(=O)NCCCO)cc1 223221461 JZNGUODIEZKUTB-PMERELPUSA-N 625.744 2.234 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 225019861 QUHXUHXSXCCOFR-SFHVURJKSA-N 521.636 2.422 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 245204368 AGOYDEPGAOXOCK-BKCYOQPQSA-N 747.964 2.440 0 40 KEAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409038070 OKCMAACFDWPKSI-TYYSXUNWSA-N 569.636 2.408 0 40 KEAB CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@@H]1[C@]2(C)CC[C@@H]2C(C)(C)[C@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@@]21C 584567063 RWXIFXNRCLMQCD-DRJVPZJKSA-N 785.025 2.149 0 40 KEAB Cc1ccc2c(c1)OCCCNC(=O)C1(CCCCNC2=O)CCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 2037884093 XNIVWEKBIBNPKG-UHFFFAOYSA-N 576.760 2.464 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C)C(=O)NC[C@@H]3CCCO3)n2)cc1OC 12716714 BWDITNJBTXJWMV-AEFFLSMTSA-N 514.608 2.131 0 40 KEAB CCNC(=O)c1ccc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c(NC(=O)c2ccc(C)n(C)c2=O)c1 96115288 PCHPEHQOURPNLS-QUCCMNQESA-N 501.587 2.481 0 40 KEAB biogenic COC(=O)c1sc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C(=O)OC)c1C 103101417 JGLIEEABZHPCCM-UHFFFAOYSA-N 524.573 2.210 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 224210723 HLALASLKIVZURU-UHFFFAOYSA-N 505.618 2.051 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 224349465 HWRRWNMWTRIODR-UHFFFAOYSA-N 539.651 2.206 0 40 KEAB Cn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc21 224426707 NFASEHFOBCQLNF-UHFFFAOYSA-N 511.647 2.132 0 40 KEAB COc1cccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 225655945 QQUQCMYVPJCKEV-SFHVURJKSA-N 521.636 2.420 0 40 KEAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 226088159 PXZJTKNAZONNQJ-NRFANRHFSA-N 505.662 2.231 0 40 KEAB CS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 260752536 YRLTXKHOQAKZNZ-JOCHJYFZSA-N 501.586 2.331 0 40 KEAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3OC)C2)cc1 408652618 GGDXZGNKTLCVGA-GOSISDBHSA-N 511.531 2.327 0 40 KEAB O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4ccccc41)CC[C@@H]3O)N(C1CCC(F)(F)CC1)C2 514287505 HEQCBCRFJAEBCV-CUDVDWHUSA-N 507.578 2.244 0 40 KEAB C[C@@H]1NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O 643565645 LLWNEFKUXOFGRO-ZEYPLWLESA-N 538.620 2.296 0 40 KEAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 3430855 FZWWBFJVULPJNE-UHFFFAOYSA-N 511.512 2.153 0 40 KEAB CCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1 67337313 RHEUTWCFVXXVMH-UHFFFAOYSA-N 509.076 2.235 0 40 KEAB COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)ccc1-n1cnnn1 100334925 BYZBRAFPKAXJQF-SKCUWOTOSA-N 567.610 2.485 0 40 KEAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1 100876844 RACFFLRAPDKTJC-SGEDCAFJSA-N 602.716 2.475 0 40 KEAB COC(=O)C1=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 150426660 NFHIYWBQQDBMPJ-HMUDIZEXSA-N 650.731 2.453 0 40 KEAB CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)N1CCCCC1 224471414 KJHWGLPCTVPSII-UHFFFAOYSA-N 583.754 2.413 0 40 KEAB CS(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(I)cc1 225247116 UBEXHBKFDOAHEF-OAHLLOKOSA-N 502.330 2.013 0 40 KEAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1S(=O)(=O)N1CCOCC1 225523942 IXFHRKFZORDARV-IBGZPJMESA-N 537.660 2.064 0 40 KEAB COC(=O)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c2ccccc2O1 226078514 TVRQRYZTKDJPLY-OAQYLSRUSA-N 504.561 2.072 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC 257361233 NWBWCXBPKTTZNQ-FXIUQALHSA-N 584.710 2.222 0 40 KEAB CC(=O)NCc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2NCc2ccccc2)cc1 575420792 FCJUAVTUWJPHFH-KAYWLYCHSA-N 541.695 2.469 0 40 KEAB CC(C)N1CCN(CC(=O)N2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)CC1 1615105484 AFVFYTPHSWVRCS-SSBOKUKZSA-N 579.786 2.220 0 40 KEAB COc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@@H](Cc3cccs3)C(N)=O)N(C(=O)C=C(C)C)C2)cc1 4200855 ZFXUERFFUKAXQE-YYWHXJBOSA-N 513.620 2.027 0 40 KEAB biogenic,in-vitro C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4C[C@@H](O)[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)C[C@H](O)[C@@H]1O 33889315 JFSXBMIFXZFKHD-ZDDLGXCGSA-N 520.663 2.456 0 40 KEAB world C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC1)CS2 38152350 ITAQRCMMKIJEOP-KBXCAEBGSA-N 522.874 2.389 0 40 KEAB O=S(=O)(c1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1)N1CCOCC1 102255894 YCKNCTAXGHZYHF-UHFFFAOYSA-N 545.108 2.064 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 223402817 WXBBDLQYDHEHKT-FQEVSTJZSA-N 505.593 2.133 0 40 KEAB CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(OC(F)(F)F)cc4)C[C@H]3C(=O)NC[C@H]1O2 253400588 LKBRDYRIOSCJKR-FKIWKMFDSA-N 640.681 2.276 0 40 KEAB C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2[C@]1(C)O 253532218 LARPFJIXBULVPK-SUNQBSGASA-N 650.850 2.435 0 40 KEAB biogenic,in-vitro COc1ccc(CCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643566913 ZKNUGWXWCXLGAG-SVBPBHIXSA-N 572.662 2.121 0 40 KEAB Cc1csc(CCCNC(=O)[C@@H]2CCC(=O)N3CCC[C@H]3C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)n1 643569010 IZTLJVAAKBBDDY-SVLHTNQCSA-N 640.807 2.108 0 40 KEAB CN(C)CCCCNC(=O)[C@@H]1CC(=O)NC2(CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1 643576617 WRRRIJYFFHKKSW-VMPREFPWSA-N 662.832 2.078 0 40 KEAB O=C(COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)Nc1cc(C(F)(F)F)ccc1Cl 3381851 UQEJOSBRCGNGQJ-UHFFFAOYSA-N 519.889 2.192 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c(OC)c1 6924549 NUGZJKSVIPSGIK-HTAPYJJXSA-N 555.613 2.230 0 40 KEAB COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1 7059758 ROFUUJRAKGPQJM-OXJNMPFZSA-N 513.576 2.105 0 40 KEAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 8692266 NWXUUVZWNJIURR-UHFFFAOYSA-N 523.611 2.263 0 40 KEAB COC(=O)[C@H](C)NC(=S)N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C[C@H]1C 9273940 DSIWMBJGALIHHO-OLZOCXBDSA-N 520.583 2.129 0 40 KEAB COc1ccc(CCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 13014948 OBJKEAMKUDOSRR-UHFFFAOYSA-N 508.575 2.341 0 40 KEAB CCOC(=O)N1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3s2)CC1 96019791 ZNGHREOHIPKFIF-UHFFFAOYSA-N 529.648 2.114 0 40 KEAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]45)[C@@H]32)cc1OC 100864309 SQEAXPYQNGORDS-VONSBMPBSA-N 516.597 2.402 0 40 KEAB CCOC(=O)CNc1nn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=O 150531152 YIBGABDTNWKKJI-NRCOOORZSA-N 658.620 2.112 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)C1 222596549 XVISROSATOYGCJ-QGZVFWFLSA-N 530.068 2.152 0 40 KEAB CCN1C[C@@]2(COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC)[C@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC 253494424 XLTANAWLDBYGFU-IBBSALAISA-N 682.811 2.035 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409390353 UVJFOJHPDLRTHL-CZNAVJSXSA-N 605.669 2.486 0 40 KEAB CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CN(C)C2CCOCC2)CCCCOC[C@@H](O)[C@H]1O 643551828 ZDLHKLSZIFGTTA-AZUODYCOSA-N 595.753 2.169 0 40 KEAB COc1cccc(-n2c(=O)c3ccccc3n3c(SCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)nnc23)c1 2642260 IHFMNUBOACWQDR-UHFFFAOYSA-N 564.649 2.140 0 40 KEAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 12311469 ISEPWCQKMMVXDK-UHFFFAOYSA-N 506.920 2.263 0 40 KEAB O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 13063677 DTXUVWSXPILRPF-XIDKLXSXSA-N 504.565 2.227 0 40 KEAB O=C(Cn1c(=O)n(-c2ccc(CC(=O)NC3CC3)cc2)c(=O)c2ccccc21)Nc1ccc2c(c1)OCO2 35377839 HBEZPVLBBOOMDU-UHFFFAOYSA-N 512.522 2.341 0 40 KEAB Cc1c(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 113965765 LOCKPZVRAZFHOB-UHFFFAOYSA-N 500.577 2.441 0 40 KEAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)c(OC)c1 215901707 WUJPQKQGHUZKAS-UHFFFAOYSA-N 549.631 2.316 0 40 KEAB CC[C@]12C=CCN3CC[C@]4(c5cc(Br)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@H]32 245230292 OTYOQSWRKXGMLS-BYYILIDTSA-N 535.435 2.404 0 40 KEAB CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@H](NC(=O)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)/C(O)=C/O)[C@@H]1OC(C)=O 252478887 AWUHWCGAUJTMSZ-YDFBEVATSA-N 697.694 2.014 0 40 KEAB CCN1CC(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccc(OC)c(OC)c2)CC1=O 643574674 JDEMBMCQOANKQJ-DGPALRBDSA-N 701.821 2.368 0 40 KEAB CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccccc2)CC(=O)N2CCC[C@H]2C1=O 643574886 YAGZNFZNAFOFQM-LMERMFHRSA-N 653.780 2.493 0 40 KEAB Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643579188 STHHSIYGDJHVAS-SVBPBHIXSA-N 572.662 2.257 0 40 KEAB CCN(CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)S(=O)(=O)c1ccc(Br)cc1 20031091 CAQIPUOGZNMXBC-UHFFFAOYSA-N 518.455 2.026 0 40 KEAB COc1ccc(CCN2C[C@@H](C(=O)OCC(=O)N(C)CC(=O)Nc3ccccc3Cl)CC2=O)cc1OC 72121480 NPAJJHBORBNWRI-SFHVURJKSA-N 531.993 2.389 0 40 KEAB CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](O)[C@]3(O)[C@@H](OC(=O)c4ccccc4)[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]12C)C3(C)C 96023619 ZZJVBWJAVYPFDJ-PRWXGGKJSA-N 730.760 2.128 0 40 KEAB biogenic COc1cccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c3nc4n(c(=O)c32)[C@@H]2CS(=O)(=O)C[C@@H]2S4)c1 98007425 HTAQZBISPUILAT-XLIONFOSSA-N 556.622 2.460 0 40 KEAB COc1ccc(CCNC(=O)Cn2c(=O)n(Cc3nc(-c4ccccc4)no3)c(=O)c3cc4c(cc32)OCO4)cc1OC 102089463 TYUCHSBSQQKCNT-UHFFFAOYSA-N 585.573 2.366 0 40 KEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)n1 140137168 BJKGWRMCFCHHEX-QGZVFWFLSA-N 561.642 2.459 0 40 KEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 223341366 MGZSBEBRWSHAOC-JOCHJYFZSA-N 509.650 2.081 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 224482738 QXWRSJMXMWVHBT-UHFFFAOYSA-N 551.687 2.081 0 40 KEAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1 260714333 CEOZKEBBEPTVJY-RUZDIDTESA-N 524.643 2.238 0 40 KEAB CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O 4091780 PFBLKVNVZYAFHC-AWCRTANDSA-N 661.756 2.249 0 40 KEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3c(=O)[nH]c(CN4CCOCC4)nc3c2)ccc1C 12643361 CTVMRQLMORWTPQ-UHFFFAOYSA-N 513.620 2.347 0 40 KEAB CCCCCN(C(=O)CCC(=O)OCC(=O)NC1CCC(C)CC1)c1c(N)n(CCCC)c(=O)[nH]c1=O 12902490 AFDAXZSMAPAZLV-UHFFFAOYSA-N 521.659 2.460 0 40 KEAB CC[C@@H](C)n1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 15913735 CSUNCQCPYDSZGT-IEBWSBKVSA-N 523.681 2.324 0 40 KEAB CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O 15940702 PUPLSAUYQWLEQQ-QZTJIDSGSA-N 535.667 2.164 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 44846845 CSFUWHPQVVFDTR-HNNXBMFYSA-N 501.652 2.483 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@@H]2C[C@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@@H]2OC 169298129 NWBWCXBPKTTZNQ-PSHCSIHOSA-N 584.710 2.222 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223753534 BDRNRBDAWCSFMA-INIZCTEOSA-N 510.012 2.431 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224995830 JYJOGVWAVNPFOE-QGZVFWFLSA-N 505.593 2.133 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 225479793 GWFXECDLCKXRLU-HNNXBMFYSA-N 512.426 2.387 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CC2)cc1 225534208 QKIUGNFDTRPDIC-IBGZPJMESA-N 509.625 2.068 0 40 KEAB CCO[C@]12C[C@H](OC)[C@@]3(O)C[C@H]([C@@H]1[C@H]3OC(=O)c1ccc(OC)cc1)[C@@]13[C@@H](OC)C[C@@H](O)[C@@]4(COC)CN(CC)[C@@H]1[C@H]2[C@H](OC)[C@@H]34 299817883 YBCOIJNAMJAFSO-QTERSFTRSA-N 645.790 2.159 0 40 KEAB biogenic,in-vitro CCc1ccccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1 408581924 VFQROHSABXAZKL-JOCHJYFZSA-N 508.619 2.458 0 40 KEAB CCOc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408623344 QEAWMZUDZDUZFX-UHFFFAOYSA-N 505.637 2.436 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)[C@H](N)CC(C)C)CCCCOC[C@@H](O)[C@H]1O 643551322 AFQVOOIFBWPWGC-FPCALVHFSA-N 553.716 2.433 0 40 KEAB COc1cc(CN2C(=O)N[C@@](NC(=O)c3ccc(OC)c(OC)c3OC)(C(F)(F)F)C2=O)cc(OC)c1 1839327 OGQPQKLZMDEXOJ-JOCHJYFZSA-N 527.452 2.470 0 40 KEAB CC(C)(C)[C@H]1CCc2c(sc3c2-c2nnc(SCC(N)=O)n2-c2nnc(SCC(N)=O)n2-3)C1 2263083 FGULXNGNWAKRPI-VIFPVBQESA-N 504.667 2.196 0 40 KEAB Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 16010364 VAAIETQDVNBDGV-DOGKRZLPSA-N 501.370 2.488 0 40 KEAB COc1c2c(cc3c1[C@@H](c1c(O)n(-c4ccc(Br)cc4)c(=O)[nH]c1=O)N(C)CC3)OCO2 20411625 SWSZBENMAVFENG-KRWDZBQOSA-N 502.321 2.309 0 40 KEAB biogenic CC1(C)CC[C@@]2(C(=O)O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O 95617260 CTTLCTYXPWGOMY-JYTHRGSDSA-N 766.966 2.492 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(OC)cc3)c2=O)=C(C(=O)OC(C)C)[C@H]1c1ccc(OC)cc1 97968567 QSHOVOSIKPNDHC-VAZXNAHHSA-N 550.633 2.346 0 40 KEAB COc1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 102987646 OJFIUMWPXQVFPW-OAQYLSRUSA-N 552.049 2.312 0 40 KEAB COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCOC)CCCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 103141685 XEGWJZFVEQHVPL-UHFFFAOYSA-N 626.761 2.235 0 40 KEAB NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@H](N)CCC(=O)OCc1ccccc1 150381725 AWIRJCQDVRTPRD-DYIKCSJPSA-N 674.751 2.339 0 40 KEAB O=C(O[C@H](CN1CCCCC1)CN1CCCc2ccccc21)[C@H](O)[C@H](O)[C@@](O)(CO)C(=O)O[C@@H](CN1CCCCC1)CN1CCCc2ccccc21 150384967 ZRILNVCXOGVPEX-OWDAAPFDSA-N 722.924 2.133 0 40 KEAB Cc1ccccc1CN(C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C 225487961 MYBGZNSLOHFAMX-IBGZPJMESA-N 503.621 2.474 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(CCC(=O)O)C(=O)[C@@H]23)cc(OC)c1O 245225832 ROLCDTGTILUQPA-ZLROFWKGSA-N 532.596 2.107 0 40 KEAB COc1cc(N(C(C)=O)[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)c2c(C)cc(C)nc12 247947321 WUWCIEXADCZGCN-VUGKQVTMSA-N 604.609 2.305 0 40 KEAB biogenic,in-vitro C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O 257610130 WQMLFJWIKARBFW-WUMSHQBBSA-N 520.663 2.456 0 40 KEAB biogenic,in-vitro C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)C[C@](C)(O)CC(=O)O)O[C@H]2O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@]3(C)C(=O)C[C@]3(C)[C@H]([C@](C)(O)C/C=C/C(C)(C)O)CC[C@@]43C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 1534688778 QHNUTPIUYCONRY-NDSBWUOVSA-N 925.119 2.442 0 40 KEAB COc1cc(CN2C(=O)N[C@@](NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)C2=O)cc(OC)c1 1864826 DKTCDCXTEQLCLH-JOCHJYFZSA-N 527.452 2.470 0 40 KEAB NS(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 20031576 LOSVCPCEXILXKG-NRFANRHFSA-N 508.021 2.193 0 40 KEAB O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCCN1CCN(CCCN2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)CC1 100700201 QJTUCZXIWMBYSY-LRSLUSHPSA-N 537.488 2.420 0 40 KEAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)CC2)cc1 102896402 WBUTURBNUKEUIH-UHFFFAOYSA-N 560.632 2.218 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](Cc2ccccc2)C(=O)NCCCO)cc1 223221515 JZNGUODIEZKUTB-SSEXGKCCSA-N 625.744 2.234 0 40 KEAB CCN1C[C@@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC)[C@](O)([C@@H](OC)[C@H]32)[C@@H]14 253494422 XLTANAWLDBYGFU-DLJDLVOMSA-N 682.811 2.035 0 40 KEAB CCN1CCN(CC(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)CC1 257244674 IMILSELXGXFNPN-SANMLTNESA-N 507.075 2.214 0 40 KEAB CCn1c(CCC(=O)N2CCC3(CC2)C[C@@](C)(O)[C@H](n2cc(F)c(O)nc2=O)CO3)nc2ccccc21 257283178 OXBCLWUTUQGBDL-CJFMBICVSA-N 513.570 2.164 0 40 KEAB COC(=O)COc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1I 409105582 LGFNDYILUGNLFU-PBJWJZLWSA-N 505.286 2.441 0 40 KEAB Cc1nn(CCNC(=O)[C@@H]2CCC(=O)NC3(CCCC3)C(=O)N[C@H](C(C)C)COc3ccccc3C(=O)N2)c(C)c1C 643572476 YBYIWOXWHGJDEG-DQEYMECFSA-N 580.730 2.466 0 40 KEAB CC(C)NC(=O)CN1CC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3 2037879182 DABSORSEKADROE-GVAUOCQISA-N 510.679 2.192 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 2058835 ADNUJAJXWQWULX-DKOMQPSQSA-N 536.562 2.267 0 40 KEAB COc1ccc2c(c1)c(CC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c(C)n2C(=O)c1ccc(Cl)cc1 3303481 GMYFOWRULNCRNB-UHFFFAOYSA-N 552.971 2.248 0 40 KEAB NCCCC[C@H](C(=O)N[C@H](CO)C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5706722 ZIAMVTKDQAADQN-NHCUHLMSSA-N 501.536 2.021 0 40 KEAB CCOC(=O)/C=c1\s/c(=C\c2ccc(OC)c(OCC)c2)c(=O)n1CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 12634051 RWDMKFHQXCSUST-NNGNZJKLSA-N 516.660 2.430 0 40 KEAB Cc1cc(C)c2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 19940996 COPFSWJPTBEOOB-NTKDMRAZSA-N 517.590 2.451 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C(=O)O)[C@H](C)O 70700637 GHOKLCHUJDMSOZ-WWIQRFGNSA-N 532.597 2.119 0 40 KEAB biogenic CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 95567928 JGOLOMLRGQOOAW-UHFFFAOYSA-N 588.104 2.421 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[C@H]2SC1 97945785 QMEVPPCITPMHCH-FZKQIMNGSA-N 536.916 2.125 0 40 KEAB CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)sc(C)c1C 103134428 NZIRPZBYYBFUFK-XIKOKIGWSA-N 533.024 2.405 0 40 KEAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223220338 OCTIBZABRJUJJK-MUUNZHRXSA-N 581.691 2.481 0 40 KEAB C[C@]1(O)COC2(CCN(C(=O)CCc3nc4ccc(Cl)cc4[nH]3)CC2)C[C@@H]1n1ccc(O)nc1=O 257282941 OVZLCXOXKYKBHV-MBSDFSHPSA-N 501.971 2.185 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409152289 DWJCCQCYPNGWQC-CCLVUABDSA-N 651.738 2.452 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3cc(C)cn3)c(OC)c2)C[C@](O)(COc2ccccc2)C1 585279755 GSTRRAGTVSJVMK-GDLZYMKVSA-N 538.645 2.380 0 40 KEAB COCCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)CC1 643569748 QXBGQRHOLIIIKQ-GGCFSWKVSA-N 635.806 2.349 0 40 KEAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 19972961 USJGTILGKRIENH-SANMLTNESA-N 531.617 2.359 0 40 KEAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 20032502 ZGSJVLWOSXNRNZ-UHFFFAOYSA-N 509.650 2.245 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc2c(c1)OCO2)Cc1nnnn1C[C@H]1CCCO1)OCO3 57642740 GAZWPVSYPIWYAE-LJQANCHMSA-N 518.530 2.353 0 40 KEAB COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1OC 408659339 SCDKOOBOKVVLBG-AWEZNQCLSA-N 509.437 2.398 0 40 KEAB CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccc2)CCC(=O)NC(C)(C)C(=O)N1 643571304 FBPBUVLPPNWWMI-GOTSBHOMSA-N 522.646 2.352 0 40 KEAB COc1cccc(CCNC(=O)[C@@H]2CC(=O)N3CCC[C@@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c1 643576560 RFGFKTOVVHPZLX-RWSKJCERSA-N 669.779 2.160 0 40 KEAB COc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2cc1OC 6136453 OCMOJOBMVQHGGS-RLWLMLJZSA-N 547.616 2.328 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1 19941068 NYPTYLHHSPRVSJ-XMMPIXPASA-N 523.638 2.367 0 40 KEAB COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N(C)[C@@H](Cc3ccccc3)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1 643573236 QYDYSYUUXOLUNH-VHUYVOMVSA-N 701.821 2.487 0 40 KEAB CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c12 2115761 XAKSFGPHKQCSPF-DOJXGVHPSA-N 541.645 2.207 0 40 KEAB biogenic CCOC(=O)[C@@](NC(C)=O)(Nc1cc([C@](O)(C(=O)OCC)C(F)(F)F)ccc1OC)C(F)(F)F 8926473 HIEPFWWYBZYXTM-DLBZAZTESA-N 504.380 2.378 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C)C(=O)NC[C@H]3CCCO3)n2)cc1OC 12716719 BWDITNJBTXJWMV-FUHWJXTLSA-N 514.608 2.131 0 40 KEAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc(OC)c1OC 16737611 IDKBAOAGITWESF-YVLHZVERSA-N 507.546 2.035 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Cl 19820940 IZKVQACSYUHTER-OAQYLSRUSA-N 504.418 2.471 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(F)cc2)CC1)Nc1cccc2ccccc12 19821044 CTTJOSGSJNQILE-VWLOTQADSA-N 503.578 2.457 0 40 KEAB O=C([C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 20492964 JFAWRNTVXTTYPN-HSZRJFAPSA-N 519.689 2.194 0 40 KEAB N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2ccccc2c1 71788435 QOCSAYREMKOPJF-DQEYMECFSA-N 589.701 2.085 0 40 KEAB COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)ccc1-n1cnnn1 100337451 KMFNRTYGVYFDHW-DCFHFQCYSA-N 571.598 2.387 0 40 KEAB COc1cc2c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c(=O)n(CC(=O)NC(C)C)c2cc1OC 102523765 WCVMYSNKZVIZKH-UHFFFAOYSA-N 534.569 2.276 0 40 KEAB Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc(CN2CCOCC2)cc1 105960396 LTXONJIMBSIFMY-UHFFFAOYSA-N 548.666 2.483 0 40 KEAB CCN1C(=O)C(C(c2cccc(C(C3C(=O)N(CC)C(=S)N(CC)C3=O)C3C(=O)N(CC)C(=S)N(CC)C3=O)c2)C2C(=O)N(CC)C(=S)N(CC)C2=O)C(=O)N(CC)C1=S 150379363 ICSMIECGGKGZST-UHFFFAOYSA-N 899.156 2.301 0 40 KEAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1O 214271567 YEQVYZVAOIENEV-NTEUORMPSA-N 518.329 2.291 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 224440058 MCVGBCQSFQIIRP-IBGZPJMESA-N 533.647 2.422 0 40 KEAB CCOC(=O)c1sc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)c(C(=O)OCC)c1C 408545205 ZRQSMQUFHJKKIK-UHFFFAOYSA-N 511.626 2.101 0 40 KEAB CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](C(=O)NCCN(C)C)NC(=O)c2ccccc2OCCCCCCNC1=O 1615158331 MATQCKAPIGOGFT-DTXPUJKBSA-N 664.848 2.180 0 40 KEAB CCOC(=O)[C@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc2ccccc12 2071243 QGBWDGWFKQAHDP-APWZRJJASA-N 512.588 2.450 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c(OC)c1 6924551 NUGZJKSVIPSGIK-VGOFRKELSA-N 555.613 2.230 0 40 KEAB CCOC(=O)C1=NO[C@@H](CNC(=O)C2=NO[C@@H](CNC(=O)c3c(-c4ccccc4Cl)noc3C)C2)C1 8666977 JGYBLEIUOMVEGQ-ZIAGYGMSSA-N 517.926 2.002 0 40 KEAB COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2ccco2)c2cccnc2)cc1OC 12485618 UIAWRMYOHINNAX-CPJSRVTESA-N 522.558 2.491 0 40 KEAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC 59838301 SHPQAOMWPPGQSH-HSZRJFAPSA-N 561.682 2.160 0 40 KEAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 103066767 RSYNFXTUQFFSKX-UHFFFAOYSA-N 580.468 2.060 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222699550 IBRKUYWYGKIFIK-HXUWFJFHSA-N 503.621 2.030 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccc(OC)cc1OC 408861406 RQQIKGBNCNJYIN-JGTYQCAFSA-N 548.621 2.006 0 40 KEAB COc1ccccc1OCC(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 585284374 KOBTVFROGJIJHA-AREMUKBSSA-N 502.539 2.139 0 40 KEAB CN1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCCCCCOc3ccccc3C(=O)N2)CC1 1615157254 JXBBELDAZINSMP-SVBPBHIXSA-N 577.726 2.088 0 40 KEAB CCCCOC(=O)C1=C(N)OC(CC(=O)OC)=C(C(=O)OC)[C@@]12C(=O)Nc1ccc(Br)cc12 2233544 OVRTXQRVCGRWKL-JOCHJYFZSA-N 523.336 2.173 0 40 KEAB COc1ccc(C(=O)Nc2nc3c(s2)C[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]3CC(=O)NCCNC(C)=O)cc1 4222264 HMWKDBTYRXAABF-JEPPUSMKSA-N 558.701 2.462 0 40 KEAB biogenic,in-vitro CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1 10342456 IEUITAVISZKBBL-GOTSBHOMSA-N 526.590 2.249 0 40 KEAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)c1 20032559 FEOKFVATBCIEOC-UHFFFAOYSA-N 503.602 2.447 0 40 KEAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N32)cc1OC 20412405 AGBNLBCOLQOBPS-WXVAWEFUSA-N 504.587 2.202 0 40 KEAB biogenic CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20803112 RAURASCOPWDUHD-XMMPIXPASA-N 535.645 2.012 0 40 KEAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1 35806686 HLUDPJMHBYAGPQ-KYFAXANOSA-N 524.961 2.016 0 40 KEAB biogenic COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1 38140269 HVFLRHOYNSOOHZ-SANMLTNESA-N 551.648 2.293 0 40 KEAB S=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ncccn2)CC1)Nc1ccc(-n2cccn2)cc1 67870889 ANRASTRCEFFOTP-WRALFONMSA-N 517.707 2.481 0 40 KEAB biogenic,in-vitro CN1C(=O)N(C)C(=O)C(Cc2ccc(Br)s2)(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O 70670119 SPXWYAWUBDUHAB-LSDHHAIUSA-N 533.448 2.371 0 40 KEAB biogenic CC(C)CN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)[C@@H]1CCS(=O)(=O)C1 102994515 HSEKWKLLLNUACW-HSZRJFAPSA-N 548.683 2.262 0 40 KEAB Cc1ccc(S(=O)(=O)NC(=O)Nc2cc(OC(=S)c3ccc(S(N)(=O)=O)cc3)[nH]c(=S)n2)cc1 104850866 MPASTUWZBQMOMZ-UHFFFAOYSA-N 539.642 2.360 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 222773213 XQLPCYMUGSFZKO-UHFFFAOYSA-N 537.616 2.333 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 222844345 MUPXJSOTDCIMJO-HNNXBMFYSA-N 512.426 2.387 0 40 KEAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1 224297799 XCLYOZUDZMLGDO-FQEVSTJZSA-N 523.677 2.438 0 40 KEAB O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]13)O2 253400180 KWIVRJBUQSDWEE-FUDKSRODSA-N 505.571 2.354 0 40 KEAB O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(Cc2cccnc2)CC3=O)CC1 253402224 OBHKGMZBGQIFBK-VZGCKZKVSA-N 531.657 2.188 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC 409172627 DTFUKYQWCWOJNP-GKKFRVOYSA-N 607.685 2.053 0 40 KEAB CC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)c1 6073858 OANDGMPPCAKZLR-UHFFFAOYSA-N 530.632 2.192 0 40 KEAB Cc1ccccc1Nc1nc(N)nc(COC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 12578439 YNFXZFGYUMMGBY-UHFFFAOYSA-N 507.576 2.410 0 40 KEAB COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C)C(=O)NC2CCCCC2)cc1OC 12715154 GIVQTPCCIWGWIM-CQSZACIVSA-N 503.625 2.364 0 40 KEAB COC(=O)C1CCN(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)CC1 25424285 DAOLNLKRLWOXBJ-UHFFFAOYSA-N 508.980 2.387 0 40 KEAB CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H](O)[C@H]3[C@H](C[C@@H](C)[C@@H]12)OC(=O)[C@H]3CN1CCN(c2ccccc2)CC1 70665714 CXQCZSXZJZQIFQ-QOZHGTPNSA-N 528.646 2.257 0 40 KEAB biogenic COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 100629908 KZLMPSIYXALDMI-HFZDXXHNSA-N 567.620 2.498 0 40 KEAB COC(=O)C1=C2[C@@]3(O)C[C@H]4C[C@@H]5[C@H]3CC[C@H](C)N5[C@]24[C@@H]2CC[C@H](O)[C@@H](OC)[C@@H]2[C@@H]1OC(=O)c1ccccc1 2048392595 QERMOAWMXXPSEU-MEWDTYJISA-N 523.626 2.474 0 40 KEAB Cc1c(C)c(C)c(-n2c(=O)n(C)c(=O)n2-n2c(=O)n(C)c(=O)n2-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C 1652846 JBBSSXMIDKEWFY-UHFFFAOYSA-N 520.634 2.384 0 40 KEAB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CC1 70700079 AKEBDWOVXLNCKY-NGXZDTIWSA-N 559.685 2.444 0 40 KEAB biogenic CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2C(=O)N2CCOCC2)C1 97963567 FJVZYPPCIWHYBW-UHFFFAOYSA-N 550.659 2.238 0 40 KEAB COc1ccc(OCC(=O)c2ccc(OC[C@@H]3O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc2O)cc1 104823940 OYBAMXUCHZQZPJ-YTRKHUOHSA-N 604.561 2.124 0 40 KEAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(I)c1OCC(=O)O 205859474 HGTJDMNGJNJKDC-RIYZIHGNSA-N 546.339 2.422 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 224334110 RWZDKMWQRYHHFH-QHCPKHFHSA-N 539.676 2.220 0 40 KEAB Cc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 3437870 KINPNQASCYLUAV-UHFFFAOYSA-N 583.692 2.214 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CCO)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1OC 12704135 GGBDPCSGENCCCH-JOCHJYFZSA-N 514.608 2.040 0 40 KEAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12935368 IALLWFPKUDQIRG-INIZCTEOSA-N 509.606 2.083 0 40 KEAB Cc1c(N(C)S(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2Cl)c(=O)n(-c2ccccc2)n1C 25286666 NPWHZIZYZNKLPQ-UHFFFAOYSA-N 518.039 2.351 0 40 KEAB CCOC(=O)C1CCN([C@H](c2cc3cc(OCC)ccc3[nH]c2=O)c2nnnn2C[C@@H]2CCCO2)CC1 57594909 LHBWOFKDPWJMRS-NZQKXSOJSA-N 510.595 2.457 0 40 KEAB O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCCN1CCN(CCCN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)CC1 102682036 QJTUCZXIWMBYSY-CMOCDZPBSA-N 537.488 2.420 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)[C@H](N)C(C)C)CCCCOC[C@@H](O)[C@H]1O 643551538 PWQWNPQAPMBZMX-VEYUFSJPSA-N 539.689 2.043 0 40 KEAB CO[C@@H]1CCCN(C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)Cc2ccccc2OCc2ccccc2)C(C)C)[C@@H]1CCC(=O)N[C@@H](CCCCN)C(=O)O 643551615 AJJPFOZINLOSQO-HCGVEXKQSA-N 753.894 2.393 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC(N3CCOCC3)CC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643585050 OAPXQACJSSGLKD-KYJUHHDHSA-N 633.790 2.247 0 40 KEAB COC(=O)C1=C2[C@@]3(O)C[C@H]4C[C@@H]5[C@H]3CC[C@H](C)N5[C@]24[C@@H]2CC[C@H](O)[C@H](OC)[C@@H]2[C@@H]1OC(=O)c1ccccc1 2048392597 QERMOAWMXXPSEU-XLZANRLRSA-N 523.626 2.474 0 40 KEAB CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@@H](C(=O)NC(C)(C)C)c1cccs1 6546337 NPCAJXDMPTZEJP-OAQYLSRUSA-N 514.608 2.458 0 40 KEAB CCOC(=O)C1=NO[C@H](CNC(=O)C2=NO[C@@H](CNC(=O)c3c(-c4ccccc4Cl)noc3C)C2)C1 12859403 JGYBLEIUOMVEGQ-KGLIPLIRSA-N 517.926 2.002 0 40 KEAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 19818700 JHYHNCQMTIODOM-HSZRJFAPSA-N 514.026 2.217 0 40 KEAB COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2cc(OC)c(OC)cc21 60266432 IWXKIIVEBAASNB-UGRRTIFLSA-N 563.654 2.432 0 40 KEAB COc1c2c(cc3c1[C@H](c1c(O)n(-c4ccc(I)cc4)c(=O)[nH]c1=O)N(C)CC3)OCO2 70681049 MOUGDLHBEBZJOR-QGZVFWFLSA-N 549.321 2.151 0 40 KEAB biogenic C[C@@H](O)CN1CCC(CN(CC(=O)NCc2ccccc2F)CC(=O)NCc2ccccc2F)CC1 96422180 DKGSOPVLDNOOMM-HXUWFJFHSA-N 502.606 2.292 0 40 KEAB CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(I)c3)cc2)CC1 100371712 MOQQNPMTIQZCHY-UHFFFAOYSA-N 544.440 2.500 0 40 KEAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1 103096719 QXIYJKCIJLCKFC-HNNXBMFYSA-N 533.584 2.327 0 40 KEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1C(=O)N1CCOCC1 215917301 HNPUPFVSAGYPGP-UHFFFAOYSA-N 561.642 2.176 0 40 KEAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 226048116 ASXLTQUBOFRJST-UHFFFAOYSA-N 553.678 2.378 0 40 KEAB CCc1cccc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)cc1 408583142 ZBIWZJGUIYOVHA-JOCHJYFZSA-N 508.619 2.376 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@H]1c1cccs1 409155825 DDZIZGAAZBHFMR-WALVNQSHSA-N 597.715 2.496 0 40 KEAB Cc1ccc(CN2C[C@@H]3Oc4cc(C5CCOCC5)ccc4S(=O)(=O)NC[C@H](O)CN(C)[C@@H]3C2)cc1 1534613824 ZACYRPOEMQVIRK-GSLIJJQTSA-N 515.676 2.105 0 40 KEAB Cc1ccc(Cn2nnc3c(=O)[nH]c([C@H]4CCCN(S(=O)(=O)c5ccc6c(c5)OCCO6)C4)nc32)cc1 6161862 WVWNNAPMRMTWFD-SFHVURJKSA-N 522.587 2.211 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1CC 6860617 IQYYIEZLGWRGEY-QFIPXVFZSA-N 539.614 2.463 0 40 KEAB COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cccc3ccccc23)CC1 19821060 YCGWZNGRUKOZFA-RUZDIDTESA-N 515.614 2.326 0 40 KEAB COC(=O)[C@H](O)[C@](O)(CCC(C)C)C(=O)O[C@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4 38140849 CAOHZEUEVKYHPF-UNIGOUJVSA-N 531.602 2.047 0 40 KEAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)cc1 44850355 RXVDYTDFDWGFBI-KRWDZBQOSA-N 510.638 2.343 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2C)cc1 222775829 FJNIQOKOMRFUQT-UHFFFAOYSA-N 531.656 2.255 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(I)cc1 224434615 PEGWAWACTCLWAL-UHFFFAOYSA-N 516.357 2.121 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 408834422 ZQSXICOBWNHPEV-MVQVQHCTSA-N 538.578 2.279 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(=O)N4CCOCC4)c(OC)c3)C2=O)o1 409401435 YMHAJNJLUCRBEM-YVLHZVERSA-N 578.372 2.168 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1 585274690 MBBUQVBWTDIRMX-MUUNZHRXSA-N 560.598 2.350 0 40 KEAB Cn1cccc1C(=O)N1C[C@@H](NC(=O)Nc2ccc(F)cc2F)C[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O 4200864 DXBCKIUURVNHRZ-UODBTFMRSA-N 577.592 2.402 0 40 KEAB biogenic,in-vitro Cc1ccc(Br)cc1C(c1cc(Br)ccc1C)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO 4962278 JHNGLZSPOIVTES-VBSBHUPXSA-N 504.215 2.396 0 40 KEAB COc1cc(C(=O)NCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc(OC)c1OC 9673833 IAAIBNHRBKWOCK-UHFFFAOYSA-N 527.603 2.466 0 40 KEAB C[C@@H]1CN(C(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 12546617 ZCGOVPVDYILWKH-BRWVUGGUSA-N 504.561 2.440 0 40 KEAB COC(=O)c1ccc(OC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1 22791645 DPCXHBGJTIXRAZ-JOCHJYFZSA-N 517.582 2.280 0 40 KEAB CCOC(=O)[C@H](Cc1cc(OC(C)=O)ccc1[Sn](C)(C)C)NC(=O)C(F)(F)F 196543940 YVDNFHPHOLEQQF-KCOFNFEMSA-N 510.097 2.310 0 40 KEAB Cn1ccnc1CN1CCN2C(=O)c3ccc(-c4ccccc4)cc3OCC[C@@H]3CC[C@H](O)[C@@H](CNC(=O)[C@@H]2C1)O3 514287407 YBORALAWRCXRHJ-QMMWJRKVSA-N 559.667 2.221 0 40 KEAB CS(=O)(=O)N1CCC(CC(=O)N2CCCCC3(CO)CCN(CC3)C(=O)c3ccccc3OCC2)CC1 643579093 SYMHHGIWSPEREG-UHFFFAOYSA-N 535.707 2.354 0 40 KEAB COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)cc1 12716111 YEXNWAHYDOSDOY-DYESRHJHSA-N 527.603 2.413 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1)OCO3 20081105 QYRAGPBXGRZQPR-HFZDXXHNSA-N 529.601 2.330 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)cc1OCC 32845707 YAZXQOLCJZMLPN-UHFFFAOYSA-N 515.588 2.284 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C1 59838798 OIXSTACSCUESTL-QGZVFWFLSA-N 530.068 2.316 0 40 KEAB CCN1C[C@]2(COC)CC[C@H](OC(C)=O)[C@]34[C@@H]1[C@H]([C@H](OC)[C@H]23)[C@@]1(OC(C)=O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O 100393435 TWHJAEKWJMCVDA-NUYDIMPFSA-N 563.688 2.214 0 40 KEAB biogenic,in-vitro CC(=O)N[C@@H]1[C@@H](Oc2cc3sc(=O)oc3c(Cl)c2Cl)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 103600421 ZFDNZWACMUUPOO-NYXTUMHJSA-N 566.368 2.196 0 40 KEAB O=C(NCCCO)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223150092 POSPJYYIPOMWSZ-LJAQVGFWSA-N 613.708 2.364 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223870851 KKVYPRVSRKRXOV-QGZVFWFLSA-N 507.584 2.306 0 40 KEAB COCCOCC(=O)Oc1cc2occ(-c3ccc([C@H](OCCOC)C(=O)O)cc3)c(=O)c2cc1OC(=O)COCCOC 263583579 LEBAANFMPBYMMZ-LJAQVGFWSA-N 618.588 2.386 0 40 KEAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3c(OC)cccc3OC)C2)cc1 408662664 XIRIATGRHMZJNY-GOSISDBHSA-N 541.557 2.336 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21 409388360 LTFCFBSAGLQZLW-ULWNEYHBSA-N 575.643 2.475 0 40 KEAB Cc1ccc(NC(=O)NC(=O)COC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c(C)c1 3433502 KGHHPCAZEXOUSH-UHFFFAOYSA-N 505.549 2.025 0 40 KEAB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)nn1 9626946 FXMDRGDFMCDKNX-UHFFFAOYSA-N 516.601 2.210 0 40 KEAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 19940749 ANGZKXKIXWDOTK-YKSBVNFPSA-N 517.590 2.396 0 40 KEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 59838085 ZATWOYUJLOLTDN-UHFFFAOYSA-N 530.068 2.460 0 40 KEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21 100877560 LOWWTQZAOUHJAY-KSNRWRLWSA-N 594.737 2.321 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 224472479 IJZVOTFFHDQVEF-UHFFFAOYSA-N 604.122 2.237 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 224486723 YIYLAMSQYBMDEU-QFIPXVFZSA-N 578.084 2.240 0 40 KEAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1C(=O)N1CCOCC1 408692999 ARMYBBQDRIHZLU-UHFFFAOYSA-N 510.572 2.293 0 40 KEAB CC(=O)N1CC[C@@H]2CC[C@H](CN(C(=O)CN3CCC(C(N)=O)CC3)Cc3ccccc31)N2Cc1ccccn1 643567521 JPHYJIBKACDHDT-RRPNLBNLSA-N 532.689 2.397 0 40 KEAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O 643568050 JRAZXNOBUXSNFK-AZIXZEHSSA-N 577.726 2.038 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@@H](OC)[C@]34[C@@H]5C[C@H]6[C@@H](OC)C[C@](O)([C@H](C[C@@H]23)[C@@H]14)[C@@]5(O)[C@H]6OC 100392559 NWBWCXBPKTTZNQ-ATSJDDJKSA-N 584.710 2.222 0 40 KEAB biogenic,in-vitro COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C(=O)NCc2ccncc2)cc1 222934603 LNYFVVKEUAGQBG-QFIPXVFZSA-N 582.679 2.224 0 40 KEAB COc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccccc2)c1 224203011 ISBQKTABFGDNPJ-UHFFFAOYSA-N 547.655 2.336 0 40 KEAB CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)N1CCCC1 224471346 OACKJDXKXBFZFB-UHFFFAOYSA-N 569.727 2.023 0 40 KEAB CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O 4091782 PFBLKVNVZYAFHC-NHKHRBQYSA-N 661.756 2.249 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 8417145 KVKPMJCOWPEUBL-CFBSLSOZSA-N 562.597 2.499 0 40 KEAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H](c1csnn1)N(C(=O)CN1C(=O)c2ccccc2C1=O)C1CC1 8695988 HREREFRHZPMZRU-DEOSSOPVSA-N 546.609 2.342 0 40 KEAB COc1cc([C@@H](c2c(O)n3c(nc2=O)SCCC3)c2c(O)nc3n(c2=O)CCCS3)ccc1O 13775548 XLRRLZBZJWOJAZ-CQSZACIVSA-N 502.574 2.097 0 40 KEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1 19943776 DBHJTYOIUWPXPN-GOTSBHOMSA-N 510.591 2.236 0 40 KEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)cc2)n1 30864727 LYWWVMSIYGCTDG-UHFFFAOYSA-N 507.569 2.438 0 40 KEAB CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CCOC)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)o2)cc1 64715200 QEFNBPVLBCSCLL-UHFFFAOYSA-N 545.666 2.443 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224163910 GQEJTJPTSSUWOQ-NRFANRHFSA-N 503.621 2.476 0 40 KEAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224445749 TVBDUTULJRZITL-UHFFFAOYSA-N 573.693 2.483 0 40 KEAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccc(OC)c5ccccc45)C3)C2=O)cc1 225387690 SGEGCAWBMGTSKI-BWKNWUBXSA-N 501.583 2.416 0 40 KEAB biogenic,in-vitro COc1ccc(N(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 226012249 JSPKQZPWFIIHKO-UHFFFAOYSA-N 577.681 2.311 0 40 KEAB CCn1c(CCCC(=O)N2CCC3(CC2)C[C@H](n2ccc(O)nc2=O)[C@@](C)(O)CO3)nc2ccccc21 257273214 NFSLZLAYNDYRDS-LVXARBLLSA-N 509.607 2.415 0 40 KEAB CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1)S(C)(=O)=O 260714014 AAJZDALOYBGUOV-PKTZIBPZSA-N 522.067 2.467 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OCC 408737587 DPYPYBKIBYYHCD-GLSAMTQTSA-N 551.621 2.070 0 40 KEAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCC(=O)N1CCOCC1 409195974 LSEIMUZDQGQZDU-UQQQWYQISA-N 596.662 2.444 0 40 KEAB CC(C)=CCC[C@](C)(O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@@]12C 2061001113 VHVHTNGBFJFMJS-PCJLLHNGSA-N 785.025 2.149 0 40 KEAB CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)[C@@]12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12 2213752 SVPAPNDATQNETG-HHHXNRCGSA-N 506.511 2.225 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cc1 101510847 RGWLOTCCAKDRQP-UHFFFAOYSA-N 530.657 2.344 0 40 KEAB CCOC(=O)C1=C(COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)NC(=O)N[C@H]1c1ccco1 102220436 SBTOKECGSIJXIY-NRFANRHFSA-N 529.527 2.379 0 40 KEAB COc1cc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](Cc3ccccc3)NC(N)=O)C2=O)cc(OC)c1OC 102851884 LQZWTPQNSPBURY-HDAKKWKLSA-N 528.587 2.145 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(I)cc(I)c2O)cc1 103009303 YEETYZRCMLDZRK-UHFFFAOYSA-N 572.162 2.221 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 223032279 DRFQTWMXODGXJE-UHFFFAOYSA-N 535.688 2.336 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 225658940 OLXLPOKNBSEQJC-KRWDZBQOSA-N 505.593 2.132 0 40 KEAB COc1cccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](n5cc(CN6CCOCC6)nn5)[C@@H](CNC(=O)[C@@H]3C2)O4)c1 253406667 UVFUKSYLECEGPI-RCDAXMBGSA-N 659.788 2.133 0 40 KEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 260825723 JQGZJSLXUSHKRK-XMMPIXPASA-N 509.584 2.426 0 40 KEAB COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3)CC2=O)cc1OC 408653100 HWYOVFKOIVMYNW-OAHLLOKOSA-N 534.363 2.450 0 40 KEAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)[C@@H]21 604404569 DQXCURBKBYZFFU-QMQXECRNSA-N 583.645 2.216 0 40 KEAB biogenic CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCn3nc(C(F)(F)F)c(Br)c3C3CC3)[C@H]2SC1 17356908 NUOQPJBWTMYGPF-FZKQIMNGSA-N 581.367 2.234 0 40 KEAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1 20237177 UGSQMCTYXYWKKM-UHFFFAOYSA-N 511.622 2.283 0 40 KEAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(C)CC1 24756124 JMNFIHYUTLWGFZ-SFHVURJKSA-N 506.600 2.004 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[C@H]2SC1 97945788 QMEVPPCITPMHCH-SCLBCKFNSA-N 536.916 2.125 0 40 KEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)n1 215916595 JPVFADYUTZZOJW-INIZCTEOSA-N 547.615 2.150 0 40 KEAB COc1cccc(-c2noc(CN(C)C(=O)CCc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)n2)c1 223868689 FYYVRTHQALLETB-UHFFFAOYSA-N 530.603 2.366 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](O[C@@H](C)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253535131 OWMZHUQIGVVXJE-ZZRWCMEMSA-N 959.904 2.003 0 40 KEAB COc1ccc(N2C(=O)[C@H](C(c3ccncc3)[C@@H]3C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)C(=O)NC2=S)cc1 6136617 DLWNEXGLNHNXHX-FGZHOGPDSA-N 589.655 2.311 0 40 KEAB CCOC(=O)[C@@H](C)C[C@@H](C)C(=O)N1CCOCCN(C(=O)[C@@H](C)C[C@@H](C)C(=O)OCC)CCOCC1 6547537 UAGMDKBSYWLEFF-ZDNVTZCJSA-N 514.660 2.141 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c(=O)[nH]c1=O 12867078 VOVMBCDWAHZWHE-ROUUACIJSA-N 535.667 2.020 0 40 KEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC)CC1 32738695 FVTGHQAKBDGURQ-MRXNPFEDSA-N 504.561 2.453 0 40 KEAB CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H](C)Oc2ccc(F)cc2)CC1 33000541 RNTHSDBHBBCADW-IBGZPJMESA-N 520.627 2.395 0 40 KEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1 98006326 AKXPHPMFWSADMA-HNRBIFIRSA-N 542.640 2.115 0 40 KEAB COc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(Cl)c5)c4n3)CC2)ccc1-n1cnnn1 100445730 FQZSJWJBPHWPCM-UHFFFAOYSA-N 583.034 2.181 0 40 KEAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 224079945 WLQXOZTUQXUYPD-IBGZPJMESA-N 503.621 2.210 0 40 KEAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(Br)cc1OCC(=O)O 409134465 TTWOQFYZVILKBJ-LZYBPNLTSA-N 529.365 2.206 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccccc1OC 409171298 ZPPFTLKALXMSPT-OXIKZWMZSA-N 577.659 2.045 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OCCNC1=O 643564840 IZNWEMGFBHKDSW-UIOOFZCWSA-N 591.709 2.044 0 40 KEAB O=C1C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)N1 643576008 CLHHEPAUQJTFPB-KYJUHHDHSA-N 674.843 2.223 0 40 KEAB CC(=O)N[C@@H](C(=O)N1CC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3)C(C)C 2037829070 XUUUAUDRNRZKFN-YYGZZXRFSA-N 552.716 2.355 0 40 KEAB Cn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)c(=O)n(C)c1=O 3393657 OVWAGUAEYHOISN-UHFFFAOYSA-N 501.927 2.133 0 40 KEAB CN(C(=O)COC(=O)CSCc1cccc(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12923446 JHUPSMQGOVXYHE-UHFFFAOYSA-N 502.980 2.260 0 40 KEAB COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 22869352 IMFFALFPTNLAMM-CUNXSJBXSA-N 559.627 2.338 0 40 KEAB COc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc(OC)c1OC 25107081 CNPITRYIWYMFMA-JOCHJYFZSA-N 533.629 2.440 0 40 KEAB biogenic CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Cl)c3C3CC3)[C@H]2SC1 97945783 PPKUMWINOMGOGU-RDRVIFMDSA-N 536.916 2.295 0 40 KEAB COc1cccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c3nc4n(c(=O)c32)[C@H]2CS(=O)(=O)C[C@H]2S4)c1 98007424 HTAQZBISPUILAT-FXAWDEMLSA-N 556.622 2.460 0 40 KEAB COCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccc(OC)c(OC)c1 102756358 HSLKUQHNPQOPAJ-UHFFFAOYSA-N 542.658 2.348 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 102974543 BRPGWEBMZPSFBZ-UHFFFAOYSA-N 537.660 2.208 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 222676626 GLLVKOPXQSHFMI-UHFFFAOYSA-N 503.602 2.269 0 40 KEAB Cc1nc(C)n(CCC(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)n1 585287526 YLRZFOCFHSOGLJ-AREMUKBSSA-N 533.073 2.088 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(Cl)cc3)c2=O)=C(C(N)=O)[C@@H]1c1ccc(Cl)cc1 36092144 BGXVQPAACRZHSG-ABPVARSCSA-N 516.406 2.169 0 40 KEAB CN1C(=O)N(C)C(=O)C(Cc2ccc(Br)cc2)(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O 70670123 SUEFJQGAYAGVTN-ZWKOTPCHSA-N 527.419 2.309 0 40 KEAB biogenic NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1N 100272776 TVJAGRCFIHEMLS-BFUOFWGJSA-N 529.600 2.298 0 40 KEAB COc1cc(CN(C2CCCCC2)S(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)ccc1OCC(N)=O 100339382 VYCJLWFRKOHYDM-UHFFFAOYSA-N 530.607 2.067 0 40 KEAB COc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1S(=O)(=O)N1CCCC[C@@H]1C 103072680 AEYPACSQVLHPJD-NRFANRHFSA-N 593.724 2.257 0 40 KEAB CCc1ccc(-n2c(O)c(C(c3ccccn3)c3c(O)n(-c4ccc(CC)cc4)c(=O)[nH]c3=O)c(=O)[nH]c2=O)cc1 103770508 DVNFWNYSGXZMTM-UHFFFAOYSA-N 553.575 2.476 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 103904220 OFLGJRUYKGNWQB-ZDGAQAAHSA-N 562.648 2.396 0 40 KEAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1Br 409129706 LURJDCXIVBRWLB-MHWRWJLKSA-N 513.366 2.286 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 409171210 YTCQEHDDKQZJIY-YIECNSLDSA-N 637.711 2.062 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)N4CCOCC4)c(Cl)c3)C2=O)o1 409398264 CKCHIDBRVAPQHM-BOPFTXTBSA-N 503.895 2.050 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CC(=O)N2CCC[C@@H]2C(=O)N1 643564912 NBEUZIRWNPKAAA-PIZZNKLWSA-N 619.763 2.238 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(F)cc2)CCC(=O)N2CCC[C@@H]2C(=O)N(C)CC(=O)N1 643571848 OBDZLSZLUQBPLB-SAAIGDAKSA-N 653.752 2.272 0 40 KEAB Cc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643580829 WFZAGSGAGFWWNF-LOSJGSFVSA-N 552.672 2.451 0 40 KEAB COc1ccc(C(=O)[C@@H](NCCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2oc(C)cc(=O)c2O)cc1 1547139421 PTJOSBCRDLUZHA-ZTEVPRNISA-N 533.581 2.374 0 40 KEAB biogenic Cn1cc(NC(=O)CN2CC[C@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)cn1 2037879266 JWORCSWEUYVAED-SKBVVQJISA-N 548.688 2.040 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 8399834 DTBCDNZRUGLABZ-VGBYGFDOSA-N 522.627 2.152 0 40 KEAB COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2c1 20080276 FBEPRNQQINPXNP-RCZVLFRGSA-N 517.590 2.319 0 40 KEAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1C 59838387 CWPOQNJYEDYWKH-DEOSSOPVSA-N 545.683 2.460 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(Cl)c3cccnc23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 97142184 LMEVVBQLIJYORX-DODNOZFWSA-N 509.895 2.350 0 40 KEAB COc1ccc(CCn2c(=O)[nH]c(O)c([C@H]3c4cc(OC)c(OC)cc4CCN3C(C)=O)c2=O)cc1OC 100749908 UYNKLYCUFZZAKN-XMMPIXPASA-N 525.558 2.013 0 40 KEAB biogenic CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 103097845 OJAQADKNWSYJOW-UHFFFAOYSA-N 573.649 2.328 0 40 KEAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(I)cc1 224552863 PYERPBMGGKISDM-UHFFFAOYSA-N 543.427 2.206 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 408702145 KACQHXZJIRLTHH-UHFFFAOYSA-N 514.025 2.398 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409035873 QVJSVBFEVSVTAK-GLSAMTQTSA-N 552.605 2.454 0 40 KEAB Cc1ccc(C)c(S(=O)(=O)NCCN([C@@]2(C)CCS(=O)(=O)C2)S(=O)(=O)c2cc(C)ccc2C)c1 575422154 MNRAHHYESGADAX-QHCPKHFHSA-N 528.718 2.467 0 40 KEAB O=C1N[C@H](C(=O)NCCc2ccccc2F)CC(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc21 643576650 ZKSHKVKMDVBTRO-OIFRRMEBSA-N 657.743 2.290 0 40 KEAB COC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C[C@@H]2CCCO2)c1 919281 IFZSDWOMPZFLDX-SFHVURJKSA-N 500.529 2.413 0 40 KEAB COc1ccc(Cl)cc1C(=O)OCC(=O)NCCNC(=O)COC(=O)c1cc(Cl)ccc1OC 12808713 NMLHQQADAJHBBO-UHFFFAOYSA-N 513.330 2.257 0 40 KEAB O=C(NCCN1CCN(C(=O)c2cccc(Br)c2)CC1)C(=O)NCc1ccc(Cl)cc1 19831503 GMGGPIOXYSHKGF-UHFFFAOYSA-N 507.816 2.293 0 40 KEAB O=C(O)[C@H]1O[C@@H](OCCN2CCN(CCCN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)CC2)[C@H](O)[C@@H](O)[C@@H]1O 100053133 FPAXYGQWHAIDFV-GAYSTUHSSA-N 613.655 2.225 0 40 KEAB CCOc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1 224394653 AIUVSVWOJJYYEK-UHFFFAOYSA-N 539.676 2.221 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)C)cc1 225676799 USCAGKGBAADRJU-SFHVURJKSA-N 508.616 2.389 0 40 KEAB C[C@]1(O)COC2(CCN(C(=O)Cn3c(C(F)(F)F)nc4ccccc43)CC2)C[C@@H]1n1cnc2c(N)nc(N)nc21 257226827 FMIYCBSYEWPGGY-HJPURHCSSA-N 559.553 2.133 0 40 KEAB COc1cccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1 643580154 LZLHYQQGHLTIKS-NSOVKSMOSA-N 618.687 2.053 0 40 KEAB COC(=O)c1cc(Br)c(=O)n(C[C@H](C)n2cc(C(=O)OC)cc(Br)c2=O)c1 1321178 ZYXGVDWYURQGCC-VIFPVBQESA-N 504.131 2.369 0 40 KEAB biogenic COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1 8442153 DMZMVVYIAZDLMZ-QJOMJCCJSA-N 573.635 2.116 0 40 KEAB CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1 13165223 MAFONSLVYODLJR-UHFFFAOYSA-N 521.539 2.034 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4cccc(C)c4)CC3)CC2)cc1 20493812 KOQDHABFZFOIKM-UHFFFAOYSA-N 519.689 2.378 0 40 KEAB CC(C)C[C@H]1NC(=O)[C@@H]([C@@H](C)c2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O 150345611 JYHXDMQYXCMDPF-FIDPFXJVSA-N 786.975 2.075 0 40 KEAB biogenic,in-vitro O=C(NCCO)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223437837 IEDMBCKDEGOOSJ-MUUNZHRXSA-N 585.654 2.104 0 40 KEAB COc1cc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c(OC)cc1Cl 224331416 UIMYCIOAHDHAPV-UHFFFAOYSA-N 576.093 2.103 0 40 KEAB COc1ncc(C(=O)N2CCC3(CC=CC[C@H]4COCC[C@H]4NC(=O)[C@H](CC(C)C)NC3=O)CC2)cn1 2037879798 QJXAKLIHGZSBBC-NNWRFLSQSA-N 513.639 2.110 0 40 KEAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)c2C(N)=O)C1 4177809 NWFBISXWESOSOC-GASCZTMLSA-N 550.659 2.412 0 40 KEAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 72138542 WNRDYIOECBDRQV-UHFFFAOYSA-N 545.035 2.015 0 40 KEAB COC(=O)c1ccc(CNC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1 103102377 QRALXYLOSZNGPB-UHFFFAOYSA-N 545.397 2.274 0 40 KEAB CCCN1CN([C@H](C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@H]23)c2ccccc2)CSC1=S 104297952 VXYWHKHEAVFWAM-RIFZZMRRSA-N 506.675 2.447 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(Cl)cc1OC[C@@H](N)Cc1ccccc1)C(=O)O 2037879553 DELMAECHCQCFNM-JAKCGFMDSA-N 547.052 2.268 0 40 KEAB NC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCc1ccc2c(c1)OCO2)OCO3 2975661 QCTPZCMHAJTPAT-UHFFFAOYSA-N 526.571 2.308 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CCn3nc(C(F)(F)F)c(Br)c3C3CC3)[C@@H]2SC1 17356900 NUOQPJBWTMYGPF-UGSOOPFHSA-N 581.367 2.234 0 40 KEAB COC[C@@]12CC[C@H](OC)[C@@]34[C@H]1[C@@H](OC)[C@H]([C@H]3N(C)C2)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccccc1 100392697 REVYTWNGZDPRKE-DWKFYNEQSA-N 599.721 2.316 0 40 KEAB biogenic,in-vitro COc1cc2c(cc1OC)[C@H](C1C(=O)CCCC1=O)N(C(=O)CSC(=S)N1CCOCC1)CC2 100708279 SUHPZNLKRBTZET-HSZRJFAPSA-N 506.646 2.418 0 40 KEAB COc1cc(OC)c(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(OC)c(OC)c4)C(=O)[C@@H]32)cc1Cl 101390254 APNNFEGALBKCDV-WOJBJXKFSA-N 503.899 2.306 0 40 KEAB C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224484804 BVMNPSDHIMSFOV-MRXNPFEDSA-N 580.512 2.364 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409167217 HQUKLCCLWVGFPH-YLKQWKBVSA-N 651.738 2.452 0 40 KEAB O=C(CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O)Nc1ccccc1N1CCOCC1 409198284 BQHYVQFXLNQIJX-JJIBRWJFSA-N 566.636 2.436 0 40 KEAB COCCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)CC1 643569599 LIUSYAUMHGQADH-CDSZWMAJSA-N 685.822 2.251 0 40 KEAB O=C(O[C@@H]1[C@@H](CO)O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@H]1O)[C@@H]1CCCN1 888088117 FSQKGVCVJJIQFB-OKQFDTRBSA-N 501.576 2.449 0 40 KEAB O=C(CN1CCC[C@@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)NCCc1ccccc1 2037879420 VSKRPNWBWFSWDS-LJAQVGFWSA-N 504.631 2.312 0 40 KEAB CCOC(=O)[C@@](NC(C)=O)(Nc1cc([C@@](O)(C(=O)OCC)C(F)(F)F)ccc1OC)C(F)(F)F 8926474 HIEPFWWYBZYXTM-IAGOWNOFSA-N 504.380 2.378 0 40 KEAB NC1=NN(c2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)C(=O)[C@H]1Sc1nnnn1-c1ccccc1 59662810 RIIKROBCPYNKEX-IBGZPJMESA-N 523.556 2.481 0 40 KEAB O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1)NCCc1ccccc1 97987866 XJHFLPVHMNRMIY-UHFFFAOYSA-N 547.684 2.262 0 40 KEAB CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Sc1nnc(COc2ccc(C(C)(C)C)cc2)n1C 101575174 VUEIIBXTOTUGJY-OJGLOBPSSA-N 606.698 2.440 0 40 KEAB O=C(Cn1cc(I)c(=O)c(I)c1)OCC(=O)N1CCc2ccccc21 102172706 PTVOHBLDNDGGLB-UHFFFAOYSA-N 564.117 2.190 0 40 KEAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCN(c3ccccn3)CC2)CC1 102920789 PUVGBYNKGGGKPV-UHFFFAOYSA-N 544.081 2.250 0 40 KEAB CC(=O)N1CCCc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 224342630 XOYFGBVHVZAPJO-UHFFFAOYSA-N 507.634 2.128 0 40 KEAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1S(=O)(=O)N1CCOCC1 225523909 IXFHRKFZORDARV-LJQANCHMSA-N 537.660 2.064 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@@H]3O)C[C@]12C 257375632 AGBCLJAHARWNLA-VASYSXPASA-N 785.025 2.147 0 40 KEAB endogenous,in-man O=S(=O)(c1cc(Br)ccc1Br)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 2630952 SKSXKOGLNLAARQ-HOTGVXAUSA-N 542.290 2.074 0 40 KEAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 3258106 LXUHEHISEXKNCC-UHFFFAOYSA-N 502.593 2.020 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCCO4)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 100072542 OPQDOPWWBGEPER-LIIQBVBMSA-N 630.599 2.441 0 40 KEAB biogenic COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(NC(C)=O)ccc21 100876902 JYLVIRUQVVDRNQ-BZZOAKBMSA-N 516.601 2.360 0 40 KEAB COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 110994159 SISGBWZDEMMSLV-CFKFVRPNSA-N 534.359 2.042 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224995864 JYJOGVWAVNPFOE-KRWDZBQOSA-N 505.593 2.133 0 40 KEAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 408616665 ZTJSHESVWQBPKP-UHFFFAOYSA-N 545.399 2.462 0 40 KEAB COc1cccc(N2CCC(O)(CN3CCN(C(C)=O)C[C@@](O)(COc4ccc(F)c(C)c4)C3)CC2)c1 585287551 OGRKDWILNCLLFB-MUUNZHRXSA-N 515.626 2.448 0 40 KEAB CC(C)OC(=O)[C@@H](C)N[P@](=O)(OC[C@@H]1O[C@H](n2ccc(O)nc2=O)[C@@](C)(F)[C@H]1O)Oc1ccccc1 605699970 TTZHDVOVKQGIBA-QELXOYBSSA-N 529.458 2.069 0 40 KEAB CC(=O)OC1=C([O])[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C 1560408783 UACUAXIHENJRJT-HBMOYMPUSA-N 585.626 2.357 0 40 KEAB O=C(N[C@@H]1OC(=O)C(Br)=C1Br)N[C@@H]1OC(=O)C(Br)=C1Br 3102180 JZHRZXBIRHWARA-PHDIDXHHSA-N 539.756 2.054 0 40 KEAB COc1cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)C(C)C)cc2ccccc12 71788427 LWDYRVMYXLGAEN-WPFOTENUSA-N 541.697 2.049 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2)c1 222570223 MWHYRCHFTBSQBF-QGZVFWFLSA-N 525.649 2.302 0 40 KEAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 408593738 RDYHBNUDMMZQSZ-OVCLIPMQSA-N 551.293 2.295 0 40 KEAB O=C1NC[C@H]2O[C@H](CCOc3cc(-c4ccccc4)ccc3C(=O)N3CCN(Cc4cnc[nH]4)C[C@@H]13)CC[C@@H]2O 514287382 PAUNXDBGMMZWKG-QMMWJRKVSA-N 545.640 2.211 0 40 KEAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCCC3)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643565768 NCHAOCIXWXGQII-WNJJXGMVSA-N 577.726 2.469 0 40 KEAB CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)N2CCc3ccccc3CC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O 643574979 GWBIDFFAUKXMIB-AIPAMJEPSA-N 688.870 2.331 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 680793 QOQUGXZAJWKAFH-VNSJDZJPSA-N 539.610 2.245 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)CCCCCn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)cc1 2974409 BVUOSEJLNREAPT-UHFFFAOYSA-N 518.617 2.354 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@H]1C(=O)O 70699844 CYHMHJHPJPGOEW-SZOBAZRNSA-N 520.586 2.080 0 40 KEAB biogenic O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224436710 NNAOXUPHVJNSDT-UHFFFAOYSA-N 577.656 2.237 0 40 KEAB CC(C)=CCC[C@@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C 253529808 SWIROVJVGRGSPO-PRSAKGRSSA-N 785.025 2.149 0 40 KEAB biogenic,in-vitro Cc1oc2cc(OCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)ccc2c(=O)c1Oc1ccccc1F 256028141 VNLMWFUJSDGTOC-QGZVFWFLSA-N 501.467 2.430 0 40 KEAB CSCC[C@H](N)C(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)CN(C(=O)c2ccccc2F)CC1 643551602 YXCWNGJQMLKRSH-BKKFENPESA-N 571.756 2.140 0 40 KEAB CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)N2CCc3ccccc3CC2)NC(=O)c2ccccc2OCCNC1=O 643568379 QSIJAGZCTILOPG-BHBYDHKZSA-N 631.774 2.271 0 40 KEAB Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2CC(=O)NCCc2c[nH]c3ccccc23)n(C)c1=O 1414882 UVVMTBRILWZWHY-UHFFFAOYSA-N 538.612 2.410 0 40 KEAB COc1cc(C(=O)NCc2ccccc2)ccc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 8431877 LBINJDLQVHABOX-DMYSPCIHSA-N 587.578 2.087 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 8454198 IBCPCVZHIQCZTC-LYRGBEMXSA-N 548.621 2.006 0 40 KEAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)cc1 44850351 RXVDYTDFDWGFBI-QGZVFWFLSA-N 510.638 2.343 0 40 KEAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)O[C@@H]2OCCN1CCOCC1 72132266 XKAOBWLSKUSFOB-SEVXUZRISA-N 562.660 2.371 0 40 KEAB in-vitro CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 223256728 XPCAIWJBASXNML-DEOSSOPVSA-N 519.664 2.069 0 40 KEAB Cc1ccc2c(c1)O[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCOCC3)cc1)CN2S(=O)(=O)c1ccccc1 224477174 CZWCYVTYJBAFGA-MHZLTWQESA-N 601.703 2.167 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224763130 VUQNFNITRRNEGW-IBGZPJMESA-N 503.621 2.476 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 409156103 RNIRWAXYNFTQLN-DVUZPASPSA-N 614.680 2.341 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCCC2(CCN(CC4CCCC4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 1548888787 APQZWEDPSRPHCA-RPWUZVMVSA-N 557.717 2.135 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)C(C)(C)[C@H]3CC[C@@]12C 2060999623 RWXIFXNRCLMQCD-DVGIZRNYSA-N 785.025 2.149 0 40 KEAB CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OC)ccc2[nH]c1=O 927891 FMSUXIIPUZKFJV-UHFFFAOYSA-N 536.589 2.348 0 40 KEAB C[C@@H](C(=O)NCCCCCCNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 4551998 UFFKXJPWXQBZPZ-ROUUACIJSA-N 518.570 2.149 0 40 KEAB COC(=O)C[C@@H](NC(=O)[C@H](Cc1cncn1C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 4879533 OMRMPOFWTDYPRJ-FCHUYYIVSA-N 552.540 2.038 0 40 KEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 10342458 IEUITAVISZKBBL-XZOQPEGZSA-N 526.590 2.249 0 40 KEAB COc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1S(=O)(=O)N1CCCC[C@H]1C 12529428 KXGVMZJUMQJLFX-CQSZACIVSA-N 502.549 2.223 0 40 KEAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCCN2CCOCC2)C(=O)c2snc(C(N)=O)c2N)o1 19825892 KAGQQHOPLSQZSE-NRFANRHFSA-N 532.667 2.080 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](CC(C)C)C(=O)NC(C)(C)C)n2)o1 19941050 IOTITKCRIDBOPZ-HXUWFJFHSA-N 503.648 2.122 0 40 KEAB COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)S(C)(=O)=O 38755850 VHZKQIKXDOCWJD-UHFFFAOYSA-N 519.605 2.308 0 40 KEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(C)(C)CNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)C[C@@H](C)O1 96022401 AVSHDWPJCNVDBH-YCAMKHIRSA-N 664.847 2.468 0 40 KEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3sc4c(c3C(=O)OC)CCC4)CC2)cc1 97981528 MMQAGBBZJXOLNI-UHFFFAOYSA-N 535.644 2.145 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccn4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 103692614 TUJBDTAESXDYIX-GDMSQXPWSA-N 569.519 2.317 0 40 KEAB O=S(=O)(CCC1[C@H]2[C@@H]3[C@@H]4C5CC(S(=O)(=O)c6ccccc6)([C@@H]4[C@@H]2O)[C@@H]2[C@@H](O)[C@H]1[C@@H]3[C@@H]52)c1ccccc1 104290790 VFTFSFIFDJMSPC-PESMJJTRSA-N 526.676 2.419 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 224498297 ITXYVHIWEMNSAE-UHFFFAOYSA-N 537.660 2.072 0 40 KEAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 224926996 MCAILEQBAUKOEX-OAQYLSRUSA-N 501.605 2.419 0 40 KEAB COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20083130 ZMGMWENJAHIRQC-SANMLTNESA-N 531.617 2.414 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CCSC)C(=O)O 70707474 RAFSARHBQPWJQX-SZOBAZRNSA-N 554.669 2.327 0 40 KEAB biogenic CCC(=O)O[C@H]1[C@H](O[C@H]2[C@H](C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O)[C@H](C)O3)[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)C(=O)[C@@H](C)C[C@]2(C)O)O[C@@H](C)C[C@H]1N(C)C 85911529 LDPQBQHLRNRTEU-PBMSRXNWSA-N 775.974 2.356 0 40 KEAB COc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)NCc1ccccc1 222907100 YVPPMCBGGOYRFA-UHFFFAOYSA-N 517.629 2.190 0 40 KEAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223403015 BSYVPAJUQKRDAE-OAQYLSRUSA-N 519.620 2.176 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224207876 CBVAZDOVAANPJB-OAQYLSRUSA-N 503.621 2.476 0 40 KEAB Cc1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C)CC1 225508293 UJVGUAIGXLADEH-UHFFFAOYSA-N 526.656 2.255 0 40 KEAB CC/C(C)=C/CC[C@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@H]2C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H]2C(C)(C)[C@H](O)CC[C@]12C 256073359 QOVKKEKBURQILF-ZLOLKGMMSA-N 785.025 2.147 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409197951 SMRQYGVPCYZXOF-ZBXXMNEPSA-N 521.595 2.061 0 40 KEAB CS(=O)(=O)c1ccc(CN[C@H]2CO[C@@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)[C@@H]2O)cc1 514288398 CLNWIEYSCRBWOL-RJGXRXQPSA-N 513.582 2.149 0 40 KEAB biogenic,in-vitro CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CC(=O)N2CCC[C@@H]2C(=O)N1 643564766 DWJDGURARLOIBK-PIZZNKLWSA-N 619.763 2.238 0 40 KEAB CCC(CC)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCN(C)C)NC(=O)CC[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@@H]2CCCN2C1=O 643580841 VDAHMIRZXSJPIO-SYKYGTKKSA-N 714.905 2.457 0 40 KEAB COCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 6905426 OQEFPPPYVQTYIG-UHFFFAOYSA-N 535.623 2.482 0 40 KEAB Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2ccco2)C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 12374407 BLVMGAKUZJVNOP-NRFANRHFSA-N 501.586 2.164 0 40 KEAB O=C([C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 15219971 HAFGWGXZZKZHTG-RUZDIDTESA-N 525.652 2.335 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 20237142 IMXRFRATVOUOIO-UHFFFAOYSA-N 521.539 2.131 0 40 KEAB CC(C)C[C@H]1OC(=O)[C@H]2CCCN2C(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)N(C)C1=O 67910485 RPJBXUNEXVNBIF-XUQGJSLXSA-N 655.837 2.149 0 40 KEAB biogenic,in-vitro O=C(O)c1ccc2c(c1)OCCOCCOCCOc1ccc(C(=O)O)cc1OCCOCCOCCO2 104696143 IMFWBLWJVAXTSA-UHFFFAOYSA-N 536.530 2.378 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccccc1Cl 224346129 UGRHJAJYWNHPQM-UHFFFAOYSA-N 530.068 2.081 0 40 KEAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)Oc3ccc(C)cc32)cc1 224477444 FDJCLHMPNVKUMP-NDEPHWFRSA-N 615.730 2.476 0 40 KEAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 260888369 MJAPWRSFLQURAX-QGZVFWFLSA-N 560.094 2.483 0 40 KEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 13009753 SYKNNJONKUZARO-UHFFFAOYSA-N 516.439 2.137 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1 20031631 FSWNSUZXNWAZGP-HSZRJFAPSA-N 519.620 2.282 0 40 KEAB COC(=O)c1cc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)cc(C(=O)OC)c1 26117899 HOMKSAHHBQGBJF-UHFFFAOYSA-N 508.574 2.255 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 72104270 PQXOTIXFMJFVRV-UHFFFAOYSA-N 558.078 2.409 0 40 KEAB O=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1[C@@H]1c2ccccc2Oc2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 101268509 CXRPWSQDPSCOTB-NRFANRHFSA-N 522.517 2.475 0 40 KEAB COC(=O)C1=c2s/c(=C/c3ccccc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 102662762 DQKSRVVLQSCGGB-NELHNXLGSA-N 530.627 2.418 0 40 KEAB CCOC(=O)[C@H]1CCCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 102921107 UQSPCGAXZWIANP-SFHVURJKSA-N 538.070 2.308 0 40 KEAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(=O)NCCCC(=O)O 103515613 ZBIZBROUWHRQBT-YHAMSUFESA-N 573.643 2.212 0 40 KEAB C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222877865 BWKUENQGOMUFOG-HSZRJFAPSA-N 574.719 2.409 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C(=O)NCc2cccnc2)cc1 222934459 BLZVSKCVDJNKEE-QFIPXVFZSA-N 582.679 2.224 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(Br)c3OCC(N)=O)C2=O)o1 409399570 KDJJGOUCMGGTTN-ACAGNQJTSA-N 512.700 2.439 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cccn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 585275073 VOVMEBCBLIKBJN-LJAQVGFWSA-N 538.645 2.380 0 40 KEAB O=C(NCCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(=O)NCc1ccc(Cl)cc1 19831111 UFDZGDOCMIKKHY-UHFFFAOYSA-N 515.035 2.232 0 40 KEAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(C)(=O)=O)cc1OC 20494824 MLFQSGCJZJITJB-UHFFFAOYSA-N 520.589 2.304 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)C(C)C)c1 102778499 MLNFLGUNEAVJSQ-SANMLTNESA-N 558.701 2.364 0 40 KEAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)c1 103102383 QQMIBVVUIPKGDL-UHFFFAOYSA-N 580.468 2.060 0 40 KEAB CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(F)c(F)c4)C[C@H]3C(=O)NC[C@H]1O2 253404999 RPJWRBHHPHRDIP-IUWRHVCYSA-N 556.610 2.242 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612278 GAXSDVMYRKMXAR-ZNJORYLTSA-N 544.509 2.085 0 40 KEAB CS(=O)(=O)N1CC[C@@H](n2cc(C(=O)NCCN3CCC4(CCCCCc5ccccc5OCCNC4=O)CC3)cn2)C1 643561518 QFDBLNZMLDZVBL-AREMUKBSSA-N 600.786 2.213 0 40 KEAB CCC(=O)OCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(CCOC(=O)CC)C4=O)cc2C1=O 1458709 BWEFSSNBALELOI-UHFFFAOYSA-N 520.494 2.016 0 40 KEAB CCCCN(C(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O)c1c(N)n(CCC)c(=O)[nH]c1=O 3432893 LZKPPNNXTHGZNR-QGZVFWFLSA-N 501.609 2.080 0 40 KEAB CO[C@]12c3c(C)cc(O)c4c(=O)occ(c34)C(=O)[C@@H]1[C@@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@@H]2[C@@H]3OC(C)=O 5437135 WBQDAYWQELBEPU-KKRCKIFXSA-N 546.484 2.341 0 40 KEAB CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCOC)c2ccc(O)cc2)cc1 6600977 ACZHHEKDRQLDKU-FQEVSTJZSA-N 513.576 2.079 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3cc(Cl)ccc3C)S(C)(=O)=O)CC2)cc1 13669498 QWGDKIYAJUEPFD-UHFFFAOYSA-N 500.042 2.256 0 40 KEAB CC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n12 35982208 NXXZUVBMMIOJQO-PZEXXVHVSA-N 510.369 2.360 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)CC2)c(C)c1 38145815 NWGYOBYNSAVRBX-UHFFFAOYSA-N 534.704 2.301 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 38771592 ZBWSRCCEWGAHNS-HNNXBMFYSA-N 507.619 2.378 0 40 KEAB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)[C@H]1C(c1ccncc1)[C@@H]1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 100218206 UZENZWKGKZRRLJ-IHWFROFDSA-N 533.447 2.242 0 40 KEAB NC1=NN(c2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)C(=O)[C@@H]1Sc1nnnn1-c1ccccc1 100998497 RIIKROBCPYNKEX-LJQANCHMSA-N 523.556 2.481 0 40 KEAB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 103067003 ZVEAFSXVOORZHD-UHFFFAOYSA-N 550.911 2.143 0 40 KEAB CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O 150470874 DWIHCEZUWCRUES-IAGOWNOFSA-N 622.197 2.461 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 224036736 MIWHAKULGOSJHP-KRWDZBQOSA-N 505.593 2.133 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N([C@H](C)C(=O)O)C(=O)[C@@H]54)[C@H]23)ccc1O 249694943 PZCVHTJSHJYMSA-JTKDAZMOSA-N 502.570 2.097 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(F)cc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643566572 SPEAMMWXASGCAU-UIOOFZCWSA-N 560.626 2.251 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)CN2CCCC2)CCCCOC[C@@H](O)[C@H]1O 643586505 JEOWVBLNHYFTIV-STROYTFGSA-N 551.700 2.156 0 40 KEAB O=S(=O)(c1cc(Br)ccc1Br)N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 2630951 SKSXKOGLNLAARQ-HZPDHXFCSA-N 542.290 2.074 0 40 KEAB CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@H](C(=O)NCCC(C)C)c1ccc(O)cc1 6546242 GWOMDLPYNKELAG-DEOSSOPVSA-N 526.569 2.480 0 40 KEAB CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCC[C@H](C)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O 12897500 VOVFCVUHLYCNID-SFHVURJKSA-N 507.632 2.024 0 40 KEAB CN(C(=O)COC(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1)[C@H]1CCS(=O)(=O)C1 16050481 UCWSONYEBDDBBA-IBGZPJMESA-N 506.536 2.443 0 40 KEAB O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCC1)Cc1cccs1)Nc1ccc2c(c1)OCO2 19941187 IQIRHLQEGUHYIC-UUWRZZSWSA-N 505.618 2.252 0 40 KEAB CC(C)C[C@@H]1OC(=O)CCNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2[C@H](C)CCN2C1=O 28642977 LQGNIRWAURPTIG-ZRPODQDASA-N 669.864 2.395 0 40 KEAB biogenic COc1ccc(NC(=O)[C@H](OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2)cc1Cl 32876689 GCKOQECZFGUWAG-HXUWFJFHSA-N 511.922 2.019 0 40 KEAB CCOc1ccc(OCCCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 32971983 PMTXEQNTRKUTQT-UHFFFAOYSA-N 531.654 2.480 0 40 KEAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1 35806684 HLUDPJMHBYAGPQ-VROSSTTESA-N 524.961 2.016 0 40 KEAB biogenic CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H](O)[C@H]3[C@H](C[C@@H](C)[C@@H]12)OC(=O)[C@@H]3CN1CCN(c2ccccc2)CC1 70665717 CXQCZSXZJZQIFQ-SSYHAFFOSA-N 528.646 2.257 0 40 KEAB biogenic CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C(=O)O)[C@H](C)O 70701050 QVWRFGLEXKHDDK-ZUVFSDOJSA-N 532.597 2.119 0 40 KEAB biogenic CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Cl)c3C3CC3)[C@H]2SC1 97945780 PPKUMWINOMGOGU-HNSSDMNUSA-N 536.916 2.295 0 40 KEAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 409003851 LIBCARVDPMTNHZ-UHFFFAOYSA-N 533.628 2.223 0 40 KEAB CC(C)=C[C@H]1OC[C@@H]([C@@H]2CC[C@]3(C)[C@H]4CC[C@H]5C(C)(C)[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]23C)[C@@H]1O 514287981 WVUZNNSUOXFJDU-IDTGGNAPSA-N 783.009 2.023 0 40 KEAB biogenic,in-vitro COCC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1 585280322 MNPUHGFDIKSHAA-SSEXGKCCSA-N 604.651 2.165 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(F)cc2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O 643568505 FXJGSTZNEZWOQB-SVBPBHIXSA-N 606.651 2.183 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(Cl)cc4)o3)[C@@H]2SC1 9201722 UZDJAUSXPPRLAJ-UWJYYQICSA-N 506.920 2.427 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c(N)n(Cc2ccccc2)c1=O 103055161 IGADTCQRAFCMOP-UHFFFAOYSA-N 579.997 2.060 0 40 KEAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccc(OC)cc2)CC(=O)N[C@@H](CC(C)C)C1=O 643578665 DYQGVIRLCJLNDW-UIOOFZCWSA-N 582.698 2.493 0 40 KEAB CC(C)c1ccc2c(c1)OCCC1(CCN(Cc3cccnc3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O 1548889864 LIMSVNLDRKWKPW-PKTZIBPZSA-N 528.675 2.262 0 40 KEAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCN(c4c(Cl)cnn(-c5ccccc5)c4=O)CC3)ccc21 1431657 ZGPSHTUHGZSBRP-UHFFFAOYSA-N 514.007 2.170 0 40 KEAB COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(CCc1ccc(OC)c(OC)c1)C(=O)c1snc(C(N)=O)c1N 6905000 QJZWWCPUURWBCJ-HSZRJFAPSA-N 571.656 2.039 0 40 KEAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)cc1S(=O)(=O)N1CCOCC1 12567123 OZGPSGFQSUFEGQ-MRXNPFEDSA-N 505.618 2.430 0 40 KEAB COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCCC1 13137882 CNWNJAXFKBVICL-UHFFFAOYSA-N 523.633 2.061 0 40 KEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc2)n1 60028292 PVVBXUUYXHPHFT-UHFFFAOYSA-N 531.616 2.167 0 40 KEAB CCOC(=O)C1=C(COC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccco1 102220465 QIUYPJULCGOZEK-DYESRHJHSA-N 567.642 2.103 0 40 KEAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 103093677 ONQBLFRWJCVRTJ-SFHVURJKSA-N 577.656 2.235 0 40 KEAB COc1cc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c(OC)cc1Cl 224407481 NARNAAFTKSRZSD-UHFFFAOYSA-N 590.120 2.493 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 225997053 HKRYUFSWYUAYEI-UHFFFAOYSA-N 515.657 2.323 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(Cc5cccs5)CCN4C3=O)O2)cn1 253398873 HTRGSUOBWAMQHH-GRAQQIFLSA-N 565.696 2.282 0 40 KEAB Cc1nc2ccccc2n1CCC(=O)N1CCC2(CC1)COC[C@@](C)(O)[C@H](n1cnc3c(N)ncnc31)C2 257217161 CXUGQOZTBKWILU-QFQXNSOFSA-N 518.622 2.478 0 40 KEAB C[C@H](c1ccccc1)n1c(SC[C@H](O)CO)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514379119 MCUBMTARZYPKME-YLJYHZDGSA-N 504.634 2.021 0 40 KEAB CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O 2964624 SDCAAGJNPAEIEF-BTYIYWSLSA-N 513.645 2.431 0 40 KEAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)n2C)cc1 12529123 XWYSRKLXALLENI-UHFFFAOYSA-N 503.606 2.242 0 40 KEAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 12532962 RGIHPFNPTBKHJW-UHFFFAOYSA-N 501.517 2.296 0 40 KEAB CCOC(=O)/C=c1\s/c(=C\c2ccc(-c3ccccc3Cl)o2)c(=O)n1CC(=O)NC[C@@H]1CCCO1 12543043 XIPYJNYTPXSBHE-RIGUMSLJSA-N 517.003 2.291 0 40 KEAB CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 20030704 FNXKDXGIJXIQKS-UHFFFAOYSA-N 500.042 2.452 0 40 KEAB O=C(COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cn1 103128431 WMFJWYVXKLRVNP-UHFFFAOYSA-N 529.402 2.183 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 225480219 YVTRMNOPSQUHRB-HNNXBMFYSA-N 542.452 2.396 0 40 KEAB CC(=O)Oc1ccc(-c2coc3cc(O[C@H]4O[C@@H](CO[C@@H]5OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]5OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 257198418 PWNURKDPPRSGQU-GBFNXTDISA-N 900.792 2.377 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1[C@]3(C)CC[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C 257536875 RWXIFXNRCLMQCD-PWLHRFBTSA-N 785.025 2.149 0 40 KEAB endogenous,in-man COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc(OC)c3OCC(=O)N3CCOCC3)C2=O)o1 409398485 BENZCFBWVLOQKE-YVLHZVERSA-N 578.372 2.168 0 40 KEAB Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CN(C(=O)CCc3cnn(C)c3)CCO2)ccc1Cl 585286800 QVVXJPQKTGGGGP-RUZDIDTESA-N 505.015 2.240 0 40 KEAB N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3 2037829071 YSOFKBPOCFHDNJ-ANHREMPLSA-N 574.722 2.470 0 40 KEAB CC(=O)Nc1c(Br)c(C(=O)O)c(Br)c(C(=O)NCCO)c1Br 4215106 HGWOCGUIQUERSN-UHFFFAOYSA-N 502.941 2.353 0 40 KEAB in-man COCCNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC 6905036 BMRVHXODXNOXPV-QFIPXVFZSA-N 552.613 2.473 0 40 KEAB O=C(O)/C=C/C(=O)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 9234931 KHASLEHJBLISQP-WAVCKPEOSA-N 501.289 2.479 0 40 KEAB NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1 20032005 GTWUSKJSXKNNGY-AWEZNQCLSA-N 506.433 2.358 0 40 KEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(F)cc1 38755410 QXHMSQLTGBSOJG-UHFFFAOYSA-N 507.569 2.273 0 40 KEAB CCOC(=O)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@@H]2[C@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]12 100924293 OXPDVIMGYINVSJ-BNFIUEDNSA-N 500.861 2.351 0 40 KEAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)O)[C@@H](C)CC)ccc1-2)C(=O)O 102415432 YTPYLPAKSOVREP-GKHNXXNSSA-N 566.654 2.453 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)CC2)cc1C 103020402 JOMKPAAHACRRCR-UHFFFAOYSA-N 534.704 2.301 0 40 KEAB O=S1(=O)NC[C@H](O)CN(Cc2ccccc2)C[C@]2(COc3cc(-c4ccccc4)ccc31)C[C@H](O)[C@H](O)C2 108318241 HATOGQQYHLQAFA-QNVWVOQGSA-N 538.666 2.389 0 40 KEAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1)c1ccc(Cl)cc1 223845026 NJDCVIMVKXDSBU-UHFFFAOYSA-N 544.036 2.266 0 40 KEAB CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccccc4Br)CC3)nc21 2190974 HZVOCKRSQPVLMF-UHFFFAOYSA-N 545.419 2.109 0 40 KEAB CN(C)c1ccc(-c2nnnn2[C@H]2CO[C@@H]3[C@@H](NS(=O)(=O)c4ccc5ccccc5c4)CO[C@H]23)cc1 4147564 CPZKMSMLYWOYQN-CJRSTVEYSA-N 506.588 2.245 0 40 KEAB biogenic,in-vitro CCN(C(=O)COC(=O)COc1ccc(Cl)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32666472 NWLXUOVNCKBRCJ-UHFFFAOYSA-N 521.357 2.449 0 40 KEAB CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc2ccccc2c1 71788438 DNGXFKWNQIFQKU-SDHOMARFSA-N 530.633 2.053 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224237439 LLYNEVZXLSPAOY-JOCHJYFZSA-N 511.666 2.294 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 225480047 VIVMPLFTZORVEK-HNNXBMFYSA-N 542.452 2.396 0 40 KEAB CC[C@]12C=CCN3CC[C@]4(c5cc(Br)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 245230294 OTYOQSWRKXGMLS-VWXKYRLOSA-N 535.435 2.404 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@@H]3O)C[C@]12C 257375630 AGBCLJAHARWNLA-NAZMFMMDSA-N 785.025 2.147 0 40 KEAB endogenous,in-man COc1ccc(C(=O)CNCCN(CC(=O)c2ccc(OC)c(OC)c2)[C@]2(C)CCS(=O)(=O)C2)cc1OC 575422506 LRCLWSGWNXQJCC-HHHXNRCGSA-N 548.658 2.255 0 40 KEAB CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OC[C@H](C(C)C)NC1=O 643565453 ZNYHVOTXLYQLJG-ISJGIBHGSA-N 551.688 2.383 0 40 KEAB CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC 643566287 WHVYFYHZIVYLDE-FIPFOOKPSA-N 582.698 2.323 0 40 KEAB CC(=O)[C@@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)c3ccc(O)cc3)[C@]12C 1857623640 IMRGSWAJVVVYOW-PJGGZQAVSA-N 500.588 2.401 0 40 KEAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccc(OC)c(OC)c1)C(=O)c1snc(C(N)=O)c1N 6631718 YIKVEEYZDASOMB-INIZCTEOSA-N 503.625 2.364 0 40 KEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1C 12522519 KDQFNBFRSFIJGL-UHFFFAOYSA-N 524.665 2.097 0 40 KEAB O=S(=O)(/C=C/c1ccccc1)N1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 97981372 GBVOAXRZHIIGGO-VXLYETTFSA-N 536.701 2.023 0 40 KEAB Cc1ccc(NC(=O)COC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1S(=O)(=O)N(C)C 103067922 VPFWGRVFMXRHQY-DVECYGJZSA-N 535.619 2.457 0 40 KEAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c2=O)=N1 103903896 YZJUFILMJQRIHA-YXDQGSNCSA-N 560.632 2.498 0 40 KEAB CO[C@@H]1[C@H](O)[C@H](O[C@@H]2C[C@@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]45O)[C@@]3(C)[C@H](O)C2)O[C@H](C)[C@H]1O 118925485 DKYDBQQIQAPGMH-JUWSAPQCSA-N 550.689 2.081 0 40 KEAB CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)[C@H]1CCS(=O)(=O)C1 245228400 VNTISDIOZWRTSL-XLIONFOSSA-N 520.629 2.019 0 40 KEAB O=c1cc(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)oc(CN2CCN(CCOc3ccc(F)cc3)CC2)c1O 257199307 YZJBUJCGVCNPKH-FCHUYYIVSA-N 550.631 2.462 0 40 KEAB CCOc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(=O)(=O)c2ccc(Br)cc2)cc1 13612373 YPFALZKBIHXTBU-UHFFFAOYSA-N 510.410 2.344 0 40 KEAB O=C(CN(Cc1ccccc1)C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NCc1ccccc1 19941303 CDYPHDYOGLBUCU-DIPNUNPCSA-N 521.595 2.448 0 40 KEAB CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1)S(C)(=O)=O 223186994 CCIOJTPPFGCCDL-DEOSSOPVSA-N 512.607 2.368 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 224466007 RFCBIQCSVZFVEV-MHZLTWQESA-N 601.703 2.000 0 40 KEAB COc1ccc(N2C(=O)[C@@H]([C@H](c3ccncc3)[C@@H]3C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)C(=O)NC2=S)cc1 248120265 DLWNEXGLNHNXHX-DKUWSORSSA-N 589.655 2.311 0 40 KEAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N([C@H](C)C(=O)O)C(=O)[C@@H]54)[C@H]23)cc1OC 249701289 YIGVFLRPDVBPHC-WWUKUNIDSA-N 516.597 2.400 0 40 KEAB CS(=O)(=O)c1ccc(CN2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(-c5ccncc5)ccc4C(=O)N3)CC[C@@H]2O)cc1 514287599 PNQUAYJNLIGDBW-VIWJNQTASA-N 634.755 2.332 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccccc3F)CC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 585282086 GWPMSYMGRIGADK-LJAQVGFWSA-N 529.653 2.375 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3cccc(F)c3)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 585282762 NWNINCJWMXXEKD-GDLZYMKVSA-N 529.653 2.375 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 634996 QVIZXGXZWLSVSO-VZIOXZNFSA-N 538.578 2.359 0 40 KEAB Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(S(=O)(=O)c5ccc6c(c5)OCCO6)CC4)nc32)cc1 6161764 ZIDMDLUIOBBSCS-UHFFFAOYSA-N 522.587 2.211 0 40 KEAB COC(=O)c1ccc2c(=O)n(CCCCCC(=O)N3CCN(c4cccc(OC)c4)CC3)c(=O)[nH]c2c1 9529817 UVVFFASQQRGRRB-UHFFFAOYSA-N 508.575 2.394 0 40 KEAB Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2CCCC[C@H]2NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 12579946 OHHWYZHFMARIJM-BGYRXZFFSA-N 508.622 2.291 0 40 KEAB CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O 13564177 KBVFDTSNZNSSBM-UHFFFAOYSA-N 502.466 2.117 0 40 KEAB COc1cccc(NC(=O)N2CCC[C@@H](O)[C@H](NC(=O)c3ccc(OCCN4CCOCC4)cc3)C2)c1 15671974 KGBLFKLLXCLZGG-JWQCQUIFSA-N 512.607 2.193 0 40 KEAB biogenic,in-vitro Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccco3)n2)cc1 19941064 MMSZXSAWGZXGBU-HSZRJFAPSA-N 509.611 2.058 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N(C)CC(=O)Nc3ccc(OC)cc3)c2c1 32966651 JRAYELULJOHGDM-UHFFFAOYSA-N 500.577 2.278 0 40 KEAB COCCn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 57640434 FMRWHNFZUIYRFT-UHFFFAOYSA-N 508.535 2.109 0 40 KEAB Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)NCCCC(=O)O)c(C)c3cc2c1C 70705490 JTDOAMTVIMBOOQ-FQEVSTJZSA-N 542.589 2.311 0 40 KEAB biogenic CCOc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5)c4n3)CC2)c(OCC)cc1-n1cnnn1 100446580 CQNXAHPRLGJEDZ-UHFFFAOYSA-N 606.669 2.317 0 40 KEAB COc1nsnc1NS(=O)(=O)c1ccc(NC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 100771433 MRQNJLSAPXCBIC-KBPBESRZSA-N 518.646 2.325 0 40 KEAB biogenic COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C(=O)NCc2ccncc2)cc1 222934660 LNYFVVKEUAGQBG-JOCHJYFZSA-N 582.679 2.224 0 40 KEAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)s2)cc1 225384185 XLKZTGLHAIXDQN-UHFFFAOYSA-N 501.590 2.334 0 40 KEAB Cn1ccnc1CN1C[C@@H]2C[C@H]1C(=O)NC[C@H]1O[C@H](CCOc3cc(C4CCCC4)ccc3C(=O)N2)CC[C@@H]1O 514287513 HQTKYMSRUHZBFP-ZUGAHZRVSA-N 551.688 2.258 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccncc2)NC(=O)c2ccccc2OC[C@@H](C(C)C)NC1=O 643565401 YNNLVJBCKAVBFI-SDHOMARFSA-N 551.688 2.383 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3ccco3)n2)o1 887936 WNDKOWPLBMIEJY-DEOSSOPVSA-N 525.610 2.186 0 40 KEAB O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1 8672205 RVHWAUFKILUEMJ-PSXMRANNSA-N 517.579 2.376 0 40 KEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 16399293 DFAPVXDJSYHUIW-UHFFFAOYSA-N 513.538 2.454 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19973011 FONUPRNDLSBVTL-RUZDIDTESA-N 517.590 2.105 0 40 KEAB CCCn1c(SCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nnc1-c1ccncc1 32668013 ILGAFHMSUZEGHD-UHFFFAOYSA-N 520.619 2.376 0 40 KEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 72136548 SRWVPFHNNMUAQN-UHFFFAOYSA-N 564.469 2.288 0 40 KEAB O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2ccc(NC(=O)NC[C@H]3CCS(=O)(=O)C3)cc2)cc1 575420340 AZLBIESLAISZIQ-HDICACEKSA-N 534.660 2.466 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3C)cc2)C[C@@](O)(COc2ccccc2)C1 585274661 YBHLGDNARSPWIR-NDEPHWFRSA-N 508.619 2.371 0 40 KEAB CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccn2)CCC(=O)NC2(CCCC2)C(=O)N1 643571514 DBJDFAXLDXPACB-ZEQRLZLVSA-N 549.672 2.281 0 40 KEAB CC1(C)NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O 643576444 JJXBTWWJQYJTNE-CONSDPRKSA-N 710.832 2.135 0 40 KEAB CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C2CCOCC2)CC3=O)CC1 958317798 OIGVPCQQYKLHBE-ZEQRLZLVSA-N 510.679 2.245 0 40 KEAB Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2Cc2c(Cl)cccc2Cl)n(C)c1=O 2707107 VPWLRQCWJGOQNU-UHFFFAOYSA-N 531.400 2.340 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](n2nc(N3C(=O)c4ccccc4C3=O)c3ccccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4293739 UWMUWOPRCFCWED-IMIIHFCZSA-N 521.482 2.161 0 40 KEAB CCS[C@@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(=S)[nH]cnc21 5665560 IUQZNKFOBHQCTI-VTCZHREGSA-N 586.645 2.030 0 40 KEAB CC(C)[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(=O)N(C)[C@@H](C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(C)C 6001858 XSAKVDNHFRWJKS-XZTOTZIXSA-N 640.870 2.495 0 40 KEAB CC(C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC(=O)NC(=O)NCc1ccco1 13526722 QTRZOGACXIXKHS-KRWDZBQOSA-N 505.471 2.171 0 40 KEAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2)C[C@H](C)O1 17527653 WVKQFLWNDASKSL-IRXDYDNUSA-N 531.616 2.328 0 40 KEAB CCc1cc(=O)oc2cc(C)cc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c12 70691882 WRXNVPRYUWPZJK-DDLBMNSQSA-N 534.514 2.126 0 40 KEAB biogenic C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCCCO5)C3=O)cc2)C[C@@H](C)O1 102911053 OOGUZDXXRMUGQB-KMVLGAPJSA-N 572.640 2.052 0 40 KEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 103099416 IGRDCNFXFJSBAC-UHFFFAOYSA-N 594.495 2.053 0 40 KEAB COc1cc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c(OC)cc1Cl 223878623 PVZLUKYPCNQDIG-ZDUSSCGKSA-N 505.014 2.404 0 40 KEAB COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C[C@H]2CCCO2)C(=O)C[C@@H]2C(=O)c3ccccc3S2(=O)=O)c1 230021387 LPZPQBUXWMSZRN-OQKBBGGUSA-N 570.664 2.468 0 40 KEAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCC(=O)N1CCOCC1 409198240 AMFLOZXHWRHHBF-UQQQWYQISA-N 596.662 2.444 0 40 KEAB COc1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 6973627 XEUKIKFXTIEWEX-XMMPIXPASA-N 529.640 2.075 0 40 KEAB Cc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1S(=O)(=O)N1CCOCC1 8692344 QDQYJIGVXVFXAO-UHFFFAOYSA-N 501.586 2.317 0 40 KEAB aggregator COc1ccc(CCNC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc32)cc1OC 71772517 UERCVZMDFVDZCL-GOSISDBHSA-N 528.631 2.336 0 40 KEAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@H]2CCCO2)cc1 96021909 WWWKQOSFUIWDGM-LJQANCHMSA-N 553.659 2.276 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 216465819 LPSLXBRHKGWKRS-UHFFFAOYSA-N 501.652 2.483 0 40 KEAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 223389286 ZEQQBBIQXVISQG-HXUWFJFHSA-N 507.609 2.032 0 40 KEAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1S(=O)(=O)N1CCOCC1 225551051 RZHLMTNLBIAJFG-QGZVFWFLSA-N 558.078 2.409 0 40 KEAB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CC(=O)O)C(=O)[C@H]54)[C@H]23)ccc1O 256041277 HUJWUIISPQBVIH-PGPVUOSQSA-N 502.570 2.099 0 40 KEAB COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3C)CC2=O)c1 408652260 GCJNMSASHPCTHM-OAHLLOKOSA-N 534.363 2.450 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21 409388363 LTFCFBSAGLQZLW-ZCCPQQFYSA-N 575.643 2.475 0 40 KEAB Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CN(C(=O)CCc3ccnn3C)CCO2)ccc1Cl 585285466 KRJFZNGMYVFVGF-RUZDIDTESA-N 505.015 2.240 0 40 KEAB CC(C)[C@H]1NC(=O)C2(CCCC2)NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643573234 QXBFDSCWZIPMSN-DNUSTZDASA-N 688.826 2.081 0 40 KEAB O=C1NC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccccn1)CC2 1548888919 CTISBHORZSUZGO-RPBOFIJWSA-N 570.712 2.033 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)o1 12716728 CXAOHDHPDYAOPF-AWRGLXIESA-N 526.569 2.425 0 40 KEAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(CCCN2CCOCC2)C(=O)c2snc(C(N)=O)c2N)o1 19825888 KAGQQHOPLSQZSE-OAQYLSRUSA-N 532.667 2.080 0 40 KEAB CC(C)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20803107 RAURASCOPWDUHD-DEOSSOPVSA-N 535.645 2.012 0 40 KEAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1C 59837988 HFOICRALLQVTBW-UHFFFAOYSA-N 531.656 2.201 0 40 KEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C(=O)N1CCOCC1 60028551 VOSAIQCYESPTGG-UHFFFAOYSA-N 532.600 2.164 0 40 KEAB CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2nnnc2-c2ccc(CN3CCOCC3)cc2)cc1 67899004 YQWHEGDPSKPTFA-ZYQDXHPFSA-N 534.573 2.331 0 40 KEAB biogenic,in-vitro COc1ccc(C(c2c(O)nc3n(c2=O)CCCS3)c2c(O)nc3n(c2=O)CCCS3)c(OC)c1OC 97950367 CZGCCYSBXZUKMR-UHFFFAOYSA-N 546.627 2.409 0 40 KEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2cc(S(N)(=O)=O)ccc21 100877608 AZCHHCWMJIXHKJ-VQUQMLDKSA-N 580.710 2.218 0 40 KEAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1 103026705 FZZXAAGOWFWWDR-UHFFFAOYSA-N 551.565 2.151 0 40 KEAB C[C@H]1CN(C(=O)[C@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)C[C@H](C)O1 108931095 ZCGOVPVDYILWKH-ULQDDVLXSA-N 504.561 2.440 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccccc2OCc2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 110557666 LLLNTXZITKTKCA-QXQSRQBGSA-N 557.552 2.079 0 40 KEAB CCc1ccccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1 408581929 VFQROHSABXAZKL-QFIPXVFZSA-N 508.619 2.458 0 40 KEAB CN1CC2(CCN(C(=O)CCOc3ccc(F)cc3)CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC1=O 643574263 LYTLTSREXYRXPZ-BJKOFHAPSA-N 514.594 2.409 0 40 KEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)c(=O)[nH]c1=O 24746394 WBLCVPVNAMDHOB-KRWDZBQOSA-N 515.611 2.368 0 40 KEAB C[Si](C)(c1ccccc1)[C@H]1C[C@H](n2cnc3c(OCc4ccccc4)nc(N)nc32)[C@](O)(CO)[C@@H]1CO 197234892 FWQXSAYLZCXRAT-HLIRBWCUSA-N 519.678 2.250 0 40 KEAB Cc1ccc(CN2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 224478367 ADJLNAKVHTZQPX-UHFFFAOYSA-N 501.649 2.423 0 40 KEAB CCOC(=O)c1c(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)sc2c1CCCC2 409307070 QWDLUKUOMDHNGO-IXWOTLFSSA-N 503.529 2.069 0 40 KEAB CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(C5CCCC5)ccc4C(=O)N3)CC[C@@H]2O)CC1 514287697 ZIVSLULFKPEHAO-IKJZKLLOSA-N 582.742 2.335 0 40 KEAB CC(=O)OC[C@@H]1[C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(=O)[C@@](C)(OC(=O)c4ccccc4)CCc4ncccc4C(=O)OC[C@@]4(C)O[C@]2([C@@H](OC(C)=O)[C@@H]4[C@@H]1OC(C)=O)[C@]3(C)O 2061000614 XZWMTGINSOVMEJ-VJDTVINASA-N 867.854 2.157 0 40 KEAB COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(C)o1 12715001 ZTVDLKHEEAFKBF-VLIAUNLRSA-N 513.576 2.418 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(C(C)C)cc4)C3=O)CC2)cc1 14086305 PYWXDXKXALFWBD-SANMLTNESA-N 528.631 2.119 0 40 KEAB COc1cc(OC)c2c(C)c(CC(=O)N[C@H](CSCc3ccccc3)C(=O)NCC(=O)O)c(=O)oc2c1 70699841 ZBVOEKYTEACPNK-LJQANCHMSA-N 528.583 2.280 0 40 KEAB biogenic COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224345522 QUVDWFGDCODNEO-UHFFFAOYSA-N 565.714 2.392 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 224349883 OISQDWAJISAFSF-IBGZPJMESA-N 539.651 2.206 0 40 KEAB COc1cccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1 643568739 FIEBRADEDVNESU-IGKIAQTJSA-N 552.672 2.314 0 40 KEAB O=C1N[C@H](C(=O)NCCOc2ccc(F)cc2)CC(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc21 643576606 VSAAYJMRNZPCHE-OIFRRMEBSA-N 673.742 2.127 0 40 KEAB COCCOCC(=O)Oc1ccc(-c2coc3cc(OC(=O)COCCOC)cc(OC(=O)COCCOC)c3c2=O)cc1 2061000362 SNFGSZRVQSFHSI-UHFFFAOYSA-N 618.588 2.165 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8399830 DTBCDNZRUGLABZ-MWKGPOOMSA-N 522.627 2.152 0 40 KEAB CC(=O)[C@@H](C)n1c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 22460744 ATNNJBHWWYCVNN-HXUWFJFHSA-N 514.630 2.491 0 40 KEAB COC(=O)c1cc(NS(=O)(=O)c2ccc(N3CCOCC3)c(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc(C(=O)OC)c1 100100048 OXOSAOPQRJDHME-BSPFGIBGSA-N 595.630 2.209 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)c1 102908389 JWUZPGWRTLWSPT-UHFFFAOYSA-N 525.381 2.445 0 40 KEAB NC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I 103590199 MQCXTJXJJQBMSA-UHFFFAOYSA-N 601.860 2.387 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 224329501 BFFDRSSFXQFWSF-JOCHJYFZSA-N 542.079 2.473 0 40 KEAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1ccccc1 224447540 XGHLLNPPGTWLPM-UHFFFAOYSA-N 573.693 2.483 0 40 KEAB CN(C)CCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)CCCCCCOc2ccccc2C(=O)N1 1615161267 TULNVUUAXDXEKI-SVBPBHIXSA-N 595.741 2.087 0 40 KEAB CC(C)NCCOc1cc(Cl)ccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O 2037879841 SYLJHYXJFWWOCX-BUVFEPMLSA-N 505.999 2.008 0 40 KEAB COc1cc(C(=O)N2CCC(NC(=O)[C@@H](Cc3ccc(F)c(F)c3)NC(C)=O)CC2)cc(OC)c1OC 13565669 KADLOMOGKXLTDO-OAQYLSRUSA-N 519.545 2.459 0 40 KEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 20030935 IXFUXPPTQCFYHV-UHFFFAOYSA-N 509.650 2.197 0 40 KEAB O=C([C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 20492965 JFAWRNTVXTTYPN-QHCPKHFHSA-N 519.689 2.194 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1Cl 59838845 KBHUTEJYUPGZNE-FQEVSTJZSA-N 586.132 2.477 0 40 KEAB COc1cc(-c2nc3s/c(=C\c4ccc(-c5ccc(S(N)(=O)=O)cc5)o4)c(=O)n3n2)cc(OC)c1OC 97959612 YPPMMIQXTGBBIC-NDENLUEZSA-N 540.579 2.299 0 40 KEAB Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)ccc1-n1cnnn1 100337170 MFOMKSKWYRGJCZ-AJTFRIOCSA-N 552.599 2.180 0 40 KEAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 225051734 WZXLIRSBXQAGMI-IBGZPJMESA-N 505.637 2.456 0 40 KEAB COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(Cc5ccccc5)C[C@H]4C(=O)NC[C@H]2O3)nn1 253395988 CYNRAFGWNBHOAF-DXLYGPJMSA-N 574.682 2.439 0 40 KEAB NC(=O)C1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1 409007530 XNBDGOGIZWVZFG-UHFFFAOYSA-N 508.438 2.406 0 40 KEAB CCCc1cccc(OC[C@@H](N)CC(C)C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O 2037879569 DZBQCSJTWVVMQL-VABKMULXSA-N 513.635 2.294 0 40 KEAB COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NCC(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2)C1 12543948 NIJSQPOQACGMSD-SFHVURJKSA-N 502.593 2.013 0 40 KEAB COC(=O)c1sc(S(=O)(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)c(C(=O)OC)c1C 13004664 JNEYVOQEXLYVSJ-UHFFFAOYSA-N 508.618 2.440 0 40 KEAB CCOc1ccc(OCCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 23079998 CPSNVGDOHYDNPW-UHFFFAOYSA-N 506.577 2.365 0 40 KEAB CCn1c(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)nc2cc3c(cc2c1=O)OCCO3 28558543 SHIPMBJHENKVEW-UHFFFAOYSA-N 500.577 2.016 0 40 KEAB CCc1cc2c(c(OCC(F)(F)F)c(C(=O)NC3CCN(C(=O)CO)CC3)n2C)c(=O)n1CC(=O)c1ccccc1 43207688 ZADWXQMNNVICKB-UHFFFAOYSA-N 576.572 2.440 0 40 KEAB in-man CN(Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1)S(C)(=O)=O 44846878 GJGSWTOJDBVVQS-UHFFFAOYSA-N 504.590 2.291 0 40 KEAB CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70672372 OPQDOPWWBGEPER-YOGXEWEVSA-N 630.599 2.441 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](N2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 98005953 GBQHRAGPKCIDLC-LLVBAIKDSA-N 615.476 2.444 0 40 KEAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 103122737 QYMHEBRKACQZKE-UHFFFAOYSA-N 537.585 2.074 0 40 KEAB COC(=O)C12CCC(CC1)[C@@H]1C(=O)N(CCCCCCN3C(=O)[C@@H]4C5CCC(C(=O)OC)(CC5)[C@@H]4C3=O)C(=O)[C@H]12 103553133 ADLRANCHRAKKIO-ALYVAULWSA-N 556.656 2.476 0 40 KEAB C[C@H](C(=O)NCc1ccncc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222702997 AXWUDZHROUQDDR-JOCHJYFZSA-N 552.653 2.215 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 224426059 JKSQJEWUFIGELS-UHFFFAOYSA-N 521.661 2.455 0 40 KEAB COC(=O)c1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc(C(=O)OC)c1 408713785 XARSMCVMBBHRPK-AWEZNQCLSA-N 508.524 2.447 0 40 KEAB Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCC4(CCCCOCCNC(=O)[C@H](C)NC4=O)CC3)cc2n1 643564115 KVROKEBNANAKLX-INIZCTEOSA-N 524.544 2.100 0 40 KEAB COc1ccc(-c2coc3cc(OCC(=O)OCC(=O)O)cc(COC(=O)OCC(=O)O)c3c2=O)cc1 2061000140 PHSDFQIDGPQITK-UHFFFAOYSA-N 516.411 2.213 0 40 KEAB COC(=O)c1sc(S(=O)(=O)NCC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)c(C(=O)OC)c1C 3330037 BUNDCOQDQHRJDF-UHFFFAOYSA-N 549.579 2.247 0 40 KEAB CCn1cc(C(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c2cc3c(cc21)OCO3 9344016 XHHVIZMJOPYGAR-KRWDZBQOSA-N 506.559 2.226 0 40 KEAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 20031874 ZVTGPHLHUQAHHQ-LJQANCHMSA-N 509.625 2.327 0 40 KEAB CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)S(C)(=O)=O 22532475 RQGAHECSLWVDDC-UHFFFAOYSA-N 519.605 2.389 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@@H](C)C(=O)O)C(=O)[C@H]23)cc(OC)c1O 101174967 UQLSDJKSMCWMSD-NZGWHODWSA-N 532.596 2.106 0 40 KEAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222699767 KMUDFCZXMWYEPJ-NRFANRHFSA-N 517.648 2.420 0 40 KEAB CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@H](CO)NC(=O)c3ccc(OC)cc3)n2C)cc1 408595591 KCJJKOQHQNLXQN-IBGZPJMESA-N 513.576 2.195 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 409168370 LWIFWISKBFOIAL-HTCWZNLXSA-N 595.649 2.184 0 40 KEAB CC[C@H](C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643569610 LWRPWURMKWOEMI-CZZAQMAHSA-N 556.635 2.281 0 40 KEAB COc1ccc(CCNS(=O)(=O)c2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc2)cc1OC 1342125 DXXCWCMKRIOPBT-UHFFFAOYSA-N 534.612 2.432 0 40 KEAB C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)CS2 8692913 DZAKRSXBMGSWAR-UWJYYQICSA-N 516.041 2.450 0 40 KEAB CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1NC(=O)NS(=O)(=O)c1ccccc1Cl 13775183 ITBGDBHUHODGFP-UHFFFAOYSA-N 500.986 2.228 0 40 KEAB Cc1oc2cc(OCC(=O)N3CCC[C@H]3C(=O)N[C@H](CC(C)C)C(=O)NCC(N)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 70664785 AUWROYFDPQQGCR-RPWUZVMVSA-N 634.686 2.042 0 40 KEAB biogenic NC(=O)c1nsc(C(=O)N(CCN2CCOCC2)[C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)c1N 100289687 QCBPNASDJGRXHK-NRFANRHFSA-N 549.097 2.442 0 40 KEAB COC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)CC2)cc1 100467237 AIESRHRNWHSVAH-UHFFFAOYSA-N 526.550 2.469 0 40 KEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(Br)cc1 103081153 IXILQQJGCUNUGL-CQSZACIVSA-N 526.409 2.308 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(OCCC(C)C)cc2)c(N)n(Cc2ccccc2)c1=O 103100025 PEDYCEKCELTGGP-UHFFFAOYSA-N 537.569 2.278 0 40 KEAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O 103140309 OHNAQNJMBQYCPK-XMMPIXPASA-N 535.022 2.243 0 40 KEAB C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl)c1ccc(S(C)(=O)=O)cc1 223877761 QNELXPXOMDAJEV-OAHLLOKOSA-N 500.042 2.171 0 40 KEAB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(CC(=O)O)C(=O)[C@@H]23)ccc1O 256041274 HUJWUIISPQBVIH-AKGKDUDRSA-N 502.570 2.099 0 40 KEAB COc1ccccc1OCCN(C)C(=O)[C@@H]1CC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1 643579320 YIVJGKKAMLJKEF-FTJBHMTQSA-N 602.688 2.299 0 40 KEAB COC[C@@H]1O[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)C=C([C@@H]4CC[C@H]5[C@]6(C)CC[C@@H](C(C)(C)O[C@@H]7O[C@H](COC)[C@H](O)[C@H](O)[C@@H]7NC(C)=O)O[C@H]6[C@@H](O)C[C@]45C)CC[C@@H]3O2)[C@H](NC(C)=O)[C@@H](O)[C@H]1O 1772591686 LFQPVWALRWUAGY-SDPMWFPHSA-N 925.167 2.398 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=C(C(=O)OC(C)C)[C@H]1c1ccc(OC)cc1 1902479 QSHOVOSIKPNDHC-GYZZIOIESA-N 550.633 2.346 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)c2cc(OC)ccc2OC)c1 15305266 LRPCGQIDHXTFAY-QZTJIDSGSA-N 514.622 2.289 0 40 KEAB COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 19818720 LLLAVFNWBNYUFF-HSZRJFAPSA-N 514.026 2.135 0 40 KEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccccc1F 20483144 YKONPKAUEJJVKG-UHFFFAOYSA-N 507.569 2.273 0 40 KEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(C)(C)CNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)cc2)C[C@H](C)O1 96022400 AVSHDWPJCNVDBH-NEWJYFPISA-N 664.847 2.468 0 40 KEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21 100877554 LOWWTQZAOUHJAY-KFHLKHCFSA-N 594.737 2.321 0 40 KEAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 224303029 MJAPWRSFLQURAX-KRWDZBQOSA-N 560.094 2.483 0 40 KEAB COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)C[C@H]2C(=O)c3ccccc3S2(=O)=O)c1 245230100 LPZPQBUXWMSZRN-ISRVLWJBSA-N 570.664 2.468 0 40 KEAB CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1 254700567 SCPNQIVSYINRIW-NRFANRHFSA-N 507.524 2.493 0 40 KEAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cccc(OCCCNC(=O)OC(C)(C)C)c2)[C@@H](O)[C@@H]1O 257313440 USKZPXPOUITOPI-UGESXGAOSA-N 555.636 2.017 0 40 KEAB COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NCc2ccco2)ccc1OC(C)=O 409379539 XMWHNJZFVGKSEB-RPBOFIJWSA-N 613.528 2.299 0 40 KEAB CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)c(O)c1 575416817 JHSMVOSDDWDUEW-QSDJZFCLSA-N 563.673 2.081 0 40 KEAB in-vitro COCC(=O)N1CCN(CC2(O)CCN(c3cccc(F)c3)CC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 585282763 NWNINCJWMXXEKD-LJAQVGFWSA-N 529.653 2.375 0 40 KEAB COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CSc2nncn2C)c1 643913408 VYPQRQLPDNMGGH-AMUNLONESA-N 621.801 2.154 0 40 KEAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3259730 BCHWUOVJCNGUDV-UHFFFAOYSA-N 537.594 2.168 0 40 KEAB COCCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3385550 HAVCHQPASUCMRN-UHFFFAOYSA-N 535.630 2.043 0 40 KEAB CCOc1ccc(N([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(C)(=O)=O)cc1 13671191 NQFTYKFMMRGLSE-IBGZPJMESA-N 509.650 2.081 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c(=O)[nH]c1=O 38139643 OECFEPURMQAXGH-UHFFFAOYSA-N 543.646 2.346 0 40 KEAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Cl 59838328 KMUQUZSABITGMN-OAQYLSRUSA-N 538.047 2.202 0 40 KEAB CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NCCCc3ccccc3)c2=O)cc1 102523678 KWPDNFZLIHPQHW-UHFFFAOYSA-N 544.608 2.337 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@@H](OC)[C@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@H](C[C@@H]23)[C@@H]14)[C@@]5(O)[C@@H]6OC 103984280 NWBWCXBPKTTZNQ-CPTUAKFSSA-N 584.710 2.222 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 224203697 HUOBZFVJKVLKRF-UHFFFAOYSA-N 535.619 2.467 0 40 KEAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)Oc3ccc(C)cc32)cc1 260890658 QAAQCCFFLGKFRB-AREMUKBSSA-N 589.692 2.405 0 40 KEAB COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)cc1 643566488 FCPXRTHVZIJBMN-NYMACZPPSA-N 580.682 2.293 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F 6546803 KJPRXRTWIWVXSZ-HXUWFJFHSA-N 529.550 2.039 0 40 KEAB CC(C)CCCn1c(O)c(C(c2ccccn2)c2c(O)n(CCCC(C)C)c(=O)[nH]c2=O)c(=O)[nH]c1=O 8781081 UPUKTQZSRUPHRZ-UHFFFAOYSA-N 513.595 2.245 0 40 KEAB biogenic,in-vitro CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)O 8918293 KQVDNWJMACTHOH-QMMLZNLJSA-N 527.709 2.249 0 40 KEAB biogenic COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)cc1 12716115 YEXNWAHYDOSDOY-UTKZUKDTSA-N 527.603 2.413 0 40 KEAB CCCn1cc(C(=O)N2CCN(CC)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 67337845 JAVYFYRKBUKZJD-UHFFFAOYSA-N 509.076 2.235 0 40 KEAB NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](N)CCC(=O)OCc1ccccc1 150381721 AWIRJCQDVRTPRD-DTXPUJKBSA-N 674.751 2.339 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C(=O)NCc2ccco2)cc1 222933922 JVQJKDHMMGOMKN-NRFANRHFSA-N 571.652 2.422 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 226072691 JDJSEVPPFJWKHA-UHFFFAOYSA-N 500.042 2.144 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N([C@H](C)C(=O)O)C(=O)[C@H]54)[C@H]23)ccc1O 249694940 PZCVHTJSHJYMSA-CKRAJERQSA-N 502.570 2.097 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O 261499174 XSOLDPYUICCHJX-DRTIDLJOSA-N 515.713 2.368 0 40 KEAB endogenous,in-man O=C1NC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)Nc1cccc(Cl)c1)CC2 1548889064 FVUBDUZIBVWTIR-UXHICEINSA-N 549.049 2.429 0 40 KEAB CN(C[C@@]1(O)CCCN(c2ccnc3cccnc23)C1)C(=O)CC[C@]1(c2ccc(F)cc2)NC(=O)NC1=O 2037880243 YARWXJHYCXNOOO-RRPNLBNLSA-N 520.565 2.074 0 40 KEAB Cc1cc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCC(=O)NCc2ccc3c(c2)OCO3)OCO4)n[nH]1 8556280 COMMZEINBDHFMK-UHFFFAOYSA-N 564.580 2.323 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20111715 CHVGOYWAECJYAY-UHFFFAOYSA-N 516.601 2.464 0 40 KEAB Cn1c(=O)c(C(=O)COC(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(N)n(Cc2ccccc2)c1=O 97979215 QNNXIQNKKWYOHC-DTQAZKPQSA-N 580.663 2.182 0 40 KEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NC[C@@H](C)NC(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C 97981343 QPEIGWCLQRKSRF-QGZVFWFLSA-N 586.831 2.466 0 40 KEAB COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 102253583 HHDNSWQOEAFVQQ-JOCHJYFZSA-N 533.551 2.192 0 40 KEAB COc1ccccc1-c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1N 104406509 QEXPANLFCOMRHF-UHFFFAOYSA-N 539.039 2.073 0 40 KEAB CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCC2=O)CCC(=O)NC2(CCCCC2)C(=O)N1 643578014 MWZQIADNUGEMEJ-BJKOFHAPSA-N 583.730 2.046 0 40 KEAB CC(=O)O[C@H]1C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H]3[C@H](C[C@@H](C)[C@@H]12)OC(=O)[C@@H]3CN1CCN(c2ccccc2)CC1 70712347 AOTYYZLJECCICM-SSYHAFFOSA-N 528.646 2.257 0 40 KEAB biogenic CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1=O 102896344 PFDWLCDKDYAMDN-HSZRJFAPSA-N 540.976 2.308 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 224569159 ICAGPWZZXAQEMS-OAQYLSRUSA-N 521.636 2.422 0 40 KEAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCC(=O)N1CCOCC1 409198840 FWKAKKVOVSDATK-QRVIBDJDSA-N 569.592 2.379 0 40 KEAB CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCCCC2)CCC(=O)NC(C)(C)C(=O)N1 643571311 FNGNZCSCKVYKOP-ZEQRLZLVSA-N 557.736 2.376 0 40 KEAB CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1 5249517 YKPKXXLFFFVROW-FXSWLTOZSA-N 558.536 2.427 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2cc(Cl)ccc2OC)cc1OC 113629843 HTZMKCBNJPBCTF-UHFFFAOYSA-N 555.097 2.315 0 40 KEAB C[C@H](Oc1ccc(NC(=O)OCCO)cc1)C(=O)OCCOC(=O)[C@H](C)Oc1ccc(NC(=O)OCCO)cc1 114671343 PSEZQAKIOLPMMN-ROUUACIJSA-N 564.544 2.089 0 40 KEAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222931638 FSMJJYTXHQPXQD-NRFANRHFSA-N 547.674 2.429 0 40 KEAB COc1ccc(N(CC(=O)NCCSc2nc(C)n[nH]2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 226012318 ULKJUFUFXLTWIU-UHFFFAOYSA-N 521.621 2.243 0 40 KEAB Cn1c(CCCC(=O)N2CCC3(CC2)C[C@@](C)(O)[C@H](n2cnc4c(N)ncnc42)CO3)nc2ccccc21 257328933 XHRMUHGAAJJVGG-FQRUVTKNSA-N 518.622 2.392 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1C 409387544 BZADWCFKEFZKHE-OAQYLSRUSA-N 515.632 2.477 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)c2ccccc21 409389061 OPDGSEVLJJQXNW-ORDRXGECSA-N 588.686 2.392 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCCN3CCCC3=O)c2)C[C@@](O)(COc2ccc(C)cc2)C1 585271618 ITRCUYNSHMUGMZ-PMERELPUSA-N 539.673 2.487 0 40 KEAB COC(=O)[C@H](C)OC(=O)COc1ccc(-c2coc3cc(OCC(=O)O[C@H](C)C(=O)OC)ccc3c2=O)cc1 2061000181 WZZRQTSPYAVWSS-JKSUJKDBSA-N 542.493 2.427 0 40 KEAB CCOC(=O)[C@@H](Cc1ccc(OC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 4016486 GAGZBZLMVJQLLZ-GBXCKJPGSA-N 628.679 2.138 0 40 KEAB CCOc1ccc(-n2nnc3c(N4CCN(S(=O)(=O)c5cc(OC)ccc5OC)CC4)ncnc32)cc1 10256553 YHOGOSYGXZUVLZ-UHFFFAOYSA-N 525.591 2.137 0 40 KEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 20674962 AXKDDJIESWOIOE-XZOQPEGZSA-N 526.590 2.249 0 40 KEAB CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC(=O)Nc1cccc(Br)c1 95570756 RFFHXVYUXAWMDW-QFIPXVFZSA-N 582.473 2.406 0 40 KEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)C1=O 103123672 DYZXAMKEEZTRLJ-RUZDIDTESA-N 528.587 2.386 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 224272575 OHUCCRMQGHVXMF-KRWDZBQOSA-N 530.068 2.186 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224421677 HPPVPNRXAFROTN-UHFFFAOYSA-N 595.740 2.019 0 40 KEAB O=C(CN1C(=O)N/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O)Nc1ccc(Br)cc1 409245834 ZRMKDOHKOIGTSC-MOSHPQCFSA-N 543.374 2.218 0 40 KEAB CC[C@H](O)[C@]1(C)OC(=O)[C@]2(C)C(=O)[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@@H]3O)[C@H](C)C[C@H](C)C(=O)C[C@@H]21 604381323 JKPQPSCHAYEURG-CPHNOWAASA-N 525.683 2.347 0 40 KEAB biogenic,in-vitro CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@H]3OC(=O)[C@H](C)CCc4ncccc4C(=O)OC[C@@]4(C)O[C@]1([C@@H](OC(C)=O)[C@H]4[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]3(C)O 2061001039 ZOCKGJZEUVPPPI-KEQDUREQSA-N 867.854 2.157 0 40 KEAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 12541976 PHHPZVPEMVQBPL-QSHMCURRSA-N 506.621 2.389 0 40 KEAB Cc1c(CCO)c(=O)n(-c2ccccc2)n1S(=O)(=O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 12953291 NYHFEPAJVJPACY-UHFFFAOYSA-N 509.506 2.166 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@H]1C(=O)O 70699847 CYHMHJHPJPGOEW-ZMVGRULKSA-N 520.586 2.080 0 40 KEAB biogenic CCOC(=O)c1c(NC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)sc2c1CCCC2 101170406 VBXTZRIJUOTCTN-DZFGPLHGSA-N 541.575 2.100 0 40 KEAB CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1cc2sc(=O)oc2c(Cl)c1Cl 103600416 ZFDNZWACMUUPOO-IOPHRHCQSA-N 566.368 2.196 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 225485843 PRXPYVOYXUROGE-UHFFFAOYSA-N 515.635 2.197 0 40 KEAB CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCCNC1=O 643565077 ANRQGBAPHDJRBP-RPLLCQBOSA-N 582.673 2.218 0 40 KEAB Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(Cc3ccccc3Cl)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O 1548889873 LJGQRFHSHCZFAZ-GGAORHGYSA-N 601.129 2.193 0 40 KEAB CCCn1c(SCC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)nc2c1c(=O)n(C)c(=O)n2C 6162560 SIEUBZIYBGQZOQ-UHFFFAOYSA-N 521.621 2.324 0 40 KEAB O=C(NC[C@H]1CCCO1)[C@@H](c1ccncc1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 8690342 JIOIQYCASBDDMD-ATIYNZHBSA-N 566.611 2.431 0 40 KEAB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc1S(=O)(=O)N1CCOCC1 8762388 MOZGGJHVLLYGBC-QHCPKHFHSA-N 520.995 2.075 0 40 KEAB O=C(C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O)OCc1ccccc1 9320573 CQSNARPFFACGSD-GOTSBHOMSA-N 515.522 2.177 0 40 KEAB biogenic O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(C2CCCCC2)CC1)OCO3 20080859 KNZGKSKDOAKUAP-NLFFAJNJSA-N 521.622 2.462 0 40 KEAB COc1cc(C)c(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3cc(C)c(OC)cc3C)CC2)cc1C 36091238 DEKYXYUMJXSHQO-UHFFFAOYSA-N 525.693 2.222 0 40 KEAB CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 100368940 SDWVSFVPCGTTLE-UHFFFAOYSA-N 564.599 2.111 0 40 KEAB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]45)[C@H]23)ccc1O 100922650 BWSWDBNLAXXHNC-HCPZCFLBSA-N 516.597 2.489 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 216333377 CXPAOHXDQRVVJH-UHFFFAOYSA-N 520.029 2.449 0 40 KEAB CCOc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1 224291272 YQWUEPORRXGPCS-IBGZPJMESA-N 539.676 2.220 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 225480184 YVTRMNOPSQUHRB-OAHLLOKOSA-N 542.452 2.396 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(F)cc2)CC(=O)N2CCC[C@@H]2C(=O)N1 643565041 RADXLHIYMOCQJT-GVXSCFBNSA-N 568.646 2.424 0 40 KEAB COc1ccccc1CCNC(=O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 1889253733 VTXDXEKMHKERAX-UHFFFAOYSA-N 500.599 2.421 0 40 KEAB CCOCCCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC(C)(C)C)c1ccc(OC)c(OC)c1 6600027 IBRQUYGSNKSUMD-IBGZPJMESA-N 521.640 2.366 0 40 KEAB CN(C)c1ccc(C(=O)N2CCN(C(=O)c3cccs3)[C@H](C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(N)=O)C2)cc1 8627213 UVBMWPWSWOETOM-RPBOFIJWSA-N 572.691 2.475 0 40 KEAB biogenic,in-vitro COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)c2ccccc2O1 222572601 DHUPCVOTUCUNPF-ZHRRBRCNSA-N 504.561 2.072 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 222757093 LCCKEYLBPBPGFI-VWLOTQADSA-N 523.611 2.469 0 40 KEAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCCOC)cc1 222945163 PHMBIHSUCWOTDH-LJQANCHMSA-N 505.637 2.106 0 40 KEAB CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](CO)NC(=O)c3ccc(OC)cc3)n2C)c1 408594838 CKQOGUQPHPBUQV-IBGZPJMESA-N 513.576 2.195 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccc(F)cc1 408860931 IWAXONCUEYOFJO-WVWKGNOCSA-N 506.559 2.128 0 40 KEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)O)c(OC)c2)C1=O 409238301 WTPSOSIAPAGGTF-OVCLIPMQSA-N 581.319 2.303 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O 643566795 JZDZBDAGRPVZAM-ZODMCCGTSA-N 568.646 2.424 0 40 KEAB CCC(CC)NC(=O)[C@@H]1CC(=O)N[C@H](Cc2ccccc2)C(=O)N(CC)CCOc2ccccc2C(=O)N1 643582515 FIWQDACZEBVVKJ-BJKOFHAPSA-N 522.646 2.448 0 40 KEAB C[n+]1cc(-c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(-c5c[n+](C)c(N)nc5N)cc4)cc3)cc2)c(N)nc1N 1714226 IMIASJKOOFTURB-UHFFFAOYSA-P 562.638 2.293 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 8399815 SYJURCORJQPLMF-MWKGPOOMSA-N 522.627 2.152 0 40 KEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2)C[C@H](C)O1 8686828 NSUYAXUBKNNXTB-IRXDYDNUSA-N 531.616 2.328 0 40 KEAB O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cc(Br)ccc1O 23079045 DASPUGDVYDGBKU-UHFFFAOYSA-N 517.785 2.498 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2C)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 70699014 XZVTYSMAGDMFFS-XCUBKVFDSA-N 560.552 2.442 0 40 KEAB biogenic COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)ccc1N1CCOCC1 102998161 WKJMYESWCOCTDO-UHFFFAOYSA-N 576.653 2.241 0 40 KEAB CC/C(C)=C/CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@H]12 256073356 QOVKKEKBURQILF-AOUDVAHISA-N 785.025 2.147 0 40 KEAB CCS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC)c1ccc2c(c1)OCCO2 260863000 UJADJZAJVQMTKR-MRXNPFEDSA-N 510.012 2.431 0 40 KEAB CNc1[nH]c(=N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F 1857777436 OISLSHLAXHALQZ-LZEIJKKFSA-N 581.542 2.400 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OCC 6631401 DHJZJPWUEOBYQS-NRFANRHFSA-N 543.577 2.429 0 40 KEAB COc1cc(CC(=O)OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc(OC)c1OC 12657572 AQMOJFPBWHJYLY-UHFFFAOYSA-N 500.957 2.341 0 40 KEAB NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(Oc4ccccc4)cc2)CC(=O)N3)CC1 22610424 RLJBGYCVOYZWKZ-LJQANCHMSA-N 502.531 2.328 0 40 KEAB O=C(OC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)[C@@H](F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 59574948 FBENGCVQLDKVAT-AJYBTWMASA-N 580.306 2.459 0 40 KEAB in-vitro Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc(Br)c(C)c3)S(C)(=O)=O)CC2)cc1 100076380 DNUFBIIUXLVFTG-UHFFFAOYSA-N 544.493 2.365 0 40 KEAB CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)OC[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@@H](C)CC)[C@H](C)CC 252516955 YJXRPXBRYBCYRH-GJRAZPKHSA-N 764.903 2.414 0 40 KEAB biogenic,in-vitro Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 585285862 UOZOMEGAPBQVPL-SANMLTNESA-N 502.587 2.034 0 40 KEAB CN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCCCCCOc3ccccc3C(=O)N2)CC1 1615155814 HTICZICZNBEGEX-SVBPBHIXSA-N 577.726 2.088 0 40 KEAB COCCN(C(=O)COC(=O)CSc1cc(C)ccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23079880 XLYVOXCMCNZFON-UHFFFAOYSA-N 526.615 2.099 0 40 KEAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1ccccc1 59851757 MAUKBZDOEGKRJQ-OAQYLSRUSA-N 573.693 2.442 0 40 KEAB COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)cc1OC 100309819 IFXVDGSKMOIKID-MWTRTKDXSA-N 583.623 2.253 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 260710540 CUJOFOQWSHXTBP-QGZVFWFLSA-N 505.593 2.132 0 40 KEAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Br)c1OCC(=O)O 409142450 LLSPYMBSKFJCGA-OQLLNIDSSA-N 529.365 2.206 0 40 KEAB CC(=O)C[C@@]12CCC(C)=CC[C@]13CC[C@@]2(C)[C@@](C)(/C=C/C=C(\C)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)OC3=O 2061000749 PONQZACKSXPFBQ-CVEJVHCUSA-N 562.656 2.030 0 40 KEAB COCOc1c(OC)c([C@]2(O)C(=O)N(C)c3ccccc32)c(OCOC)c(OC)c1[C@]1(O)C(=O)N(C)c2ccccc21 1612076 SFICRIOMCLWQMH-KYJUHHDHSA-N 580.590 2.094 0 40 KEAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2cccc(OC(F)F)c2)NC(=O)N[C@H]1c1ccc(C)o1 12800007 QRWXIEMWFAYOPR-IBGZPJMESA-N 507.446 2.334 0 40 KEAB O=C(NCCN1CCOCC1)Nc1ccc(Cc2ccc(NC(=O)NCCN3CCOCC3)cc2)cc1 16401922 ZZLMNQQLYJULBE-UHFFFAOYSA-N 510.639 2.185 0 40 KEAB NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(Oc4ccccc4)cc2)CC(=O)N3)CC1 22610426 RLJBGYCVOYZWKZ-IBGZPJMESA-N 502.531 2.328 0 40 KEAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCN(C(C)C)CC2)CC1 67337947 GZQLAZCGOROAJP-UHFFFAOYSA-N 509.076 2.059 0 40 KEAB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 97994529 XCCWCCWWXHIAHH-UHFFFAOYSA-N 532.630 2.348 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 224241180 NESJFSRXJWSKPH-JOCHJYFZSA-N 537.704 2.107 0 40 KEAB CCCSc1nc(N[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@@H]3O)c2n1 306122927 OEKWJQXRCDYSHL-KFTOLIADSA-N 522.578 2.014 0 40 KEAB in-vitro COc1ccc(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl 408619517 IFZNITSFWZNMJE-UHFFFAOYSA-N 512.028 2.309 0 40 KEAB C[C@H](c1ccccc1)n1c(SC[C@@H](O)CO)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514379118 MCUBMTARZYPKME-XLIONFOSSA-N 504.634 2.021 0 40 KEAB O=C(CCCCCO)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O 725426247 QORBQKOHWGMAHY-LBPRGKRZSA-N 547.127 2.266 0 40 KEAB CCCNC(=O)N1CCC2(CCOc3cc(-c4ccccc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548890254 NTWXNARAEXOLPB-PKTZIBPZSA-N 556.685 2.330 0 40 KEAB O=C1N[C@H]2CCN(C(=O)Cn3cccn3)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1 2037885067 VXNFMLMUFQXJFI-DSNGMDLFSA-N 519.646 2.091 0 40 KEAB C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@H]2C 2061000731 HDXIQHTUNGFJIC-BZOFLKTDSA-N 722.913 2.390 0 40 KEAB Cn1c(=O)c2c(nc(SCC(=O)N3CCCCC3)n2Cc2cccc(Br)c2)n(C)c1=O 12647425 RQYOOWCBLBTNKC-UHFFFAOYSA-N 506.426 2.349 0 40 KEAB CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1cc(F)ccc1OC 20031269 CNWICYQGLCTTKS-UHFFFAOYSA-N 527.640 2.336 0 40 KEAB O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(C[C@H](O)COC[C@@H]2COc3ccccc3O2)CC1 22914701 NYZDWHKNLSAHAP-XZOQPEGZSA-N 531.609 2.271 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc2c(c1)OCO2)Cc1nnnn1C[C@@H]1CCCO1)OCO3 57642738 GAZWPVSYPIWYAE-IBGZPJMESA-N 518.530 2.353 0 40 KEAB CCOC(=O)[C@@H](C)C[C@@H](C)C(=O)N1CCOCCN(C(=O)[C@H](C)C[C@H](C)C(=O)OCC)CCOCC1 102695296 UAGMDKBSYWLEFF-CZYKHXBRSA-N 514.660 2.141 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 139035451 SFHOCQSDTXNZSL-CEMPLAKHSA-N 508.552 2.270 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223579916 FXWCIRMLMFYKPQ-LJQANCHMSA-N 503.621 2.476 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccccc1CN1CCCC1=O 225055275 YIBHXVNWJYYSJG-UHFFFAOYSA-N 515.632 2.088 0 40 KEAB CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCC(N)=O)c(=O)n21 408974041 WIRHIIDFFMTWRJ-MLJBDGAYSA-N 616.092 2.350 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCn2ccnc2)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CC(=O)N1 643572098 NFLRIEQNPHHWLC-BKHJTQGXSA-N 673.815 2.077 0 40 KEAB Cc1ccc(Cn2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc3c2c(=O)n(C)c(=O)n3C)cc1 930499 RPVOQNUGDJMCCQ-UHFFFAOYSA-N 507.572 2.292 0 40 KEAB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1C(c1ccncc1)[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 6446528 SFTHIVFUILROAK-WOJBJXKFSA-N 529.603 2.293 0 40 KEAB CC(=O)Oc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1 10042498 YSHHZMVFQVSOAZ-UHFFFAOYSA-N 502.523 2.402 0 40 KEAB CC(C)CN(C(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12909621 ZIYMRYRNWRNBSV-PKNBQFBNSA-N 520.542 2.141 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N(c3cccc(Cl)c3)S(C)(=O)=O)CC2)cc1 13671968 NNCIFXPABPRPHK-KRWDZBQOSA-N 500.042 2.336 0 40 KEAB O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NC[C@@H]3CCCO3)N2C1=O)NCc1ccc2c(c1)OCO2 102737505 NNBNGUBQKWNUDZ-GHTZIAJQSA-N 563.636 2.499 0 40 KEAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 103093611 AQUIUCVRBGXHJG-UHFFFAOYSA-N 565.645 2.092 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@H](C[C@@H]23)[C@@H]14)[C@@]5(O)[C@@H]6OC 103984274 NWBWCXBPKTTZNQ-HTDABVSQSA-N 584.710 2.222 0 40 KEAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 225051499 HUSKRNIRLPMEGF-LJQANCHMSA-N 505.637 2.456 0 40 KEAB CCOc1ccc(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 408620120 NAILARSDNJHTRE-UHFFFAOYSA-N 526.453 2.492 0 40 KEAB CO[C@@]12O[C@@]3(C)CC[C@@H](OC(=O)[C@@H]1[C@@H]1[C@@H]4[C@H](C[C@H]13)C(C(=O)O)=C[C@@H]1[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H]14)[C@@H]2C 514287938 LFQXXBVNHBMYJD-BRYLWGBSSA-N 504.576 2.157 0 40 KEAB biogenic,in-vitro C[C@H]1O[C@@H](O[C@@H]2[C@H](O)C[C@@H](O[C@@H]3[C@H](O)C[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)[C@H](O)C[C@@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@@H](O)[C@H]1O 2002125251 LKRDZKPBAOKJBT-CTYKEOLFSA-N 780.949 2.218 0 40 KEAB CCOC(=O)Cn1nnnc1CN(Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1374004 OVDYCKXFYRQBHB-UHFFFAOYSA-N 504.547 2.360 0 40 KEAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3525524 IPBNMGPFZGMRCI-UHFFFAOYSA-N 523.567 2.172 0 40 KEAB CCNC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCC)cc(C4=NCCN4)c3)cc2)cc(C2=NCCN2)c1 4975136 HJXBLFYROMYOBE-UHFFFAOYSA-N 594.676 2.390 0 40 KEAB O=C([C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 19866355 ZUBYIDYVRWJASI-HXUWFJFHSA-N 526.080 2.415 0 40 KEAB C[C@@H]1CC[C@]2(C(=O)O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]43C)[C@@H]2[C@@]1(C)O 67912982 LARPFJIXBULVPK-JYHXURQDSA-N 650.850 2.435 0 40 KEAB biogenic,in-vitro CCOC(=O)c1[nH]c(COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)O)c(C(=O)OCC)c1C 101470938 GVWRBODKSJXZGL-ORAYPTAESA-N 530.983 2.101 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(N)n(Cc2ccccc2)c1=O 103073824 BZKSXCRHIFOUJD-AWEZNQCLSA-N 564.378 2.314 0 40 KEAB CC(=O)OCC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@]4(O)C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@H]3CC[C@]12C 118933481 ZTWWQCOHUBHIGI-LPOARCMCSA-N 508.608 2.482 0 40 KEAB O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 217498256 JVLCYFZXODGWLB-JQOLTRQRSA-N 546.624 2.472 0 40 KEAB C[C@H](C(=O)NCc1ccccn1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222856938 JRNHIQSMFSUURI-OAQYLSRUSA-N 570.643 2.354 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 223432537 HXDLRQZFRKEHMX-FQEVSTJZSA-N 507.609 2.032 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1OC 260724288 YUMVKPLREBNMJZ-NRFANRHFSA-N 565.714 2.248 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)NC(=O)c2ccccc2OCCCNC1=O 643567336 CNPHOFMRUANMLU-SFTDATJTSA-N 594.635 2.417 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCC)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643913418 WSICZOIOOONYLL-ZEQRLZLVSA-N 522.646 2.450 0 40 KEAB COC(=O)C1=c2s/c(=C/c3cccc(OC)c3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(OC)c1 1788609 GNFZEPVGTQAPIK-VOGGAGISSA-N 590.679 2.436 0 40 KEAB CCOC(=O)N1CCN(C(=O)Nc2cc(NC(=O)N3CCN(C(=O)OCC)CC3)c(C)nc2C)CC1 12622953 RVAWUSHSAJTMNN-UHFFFAOYSA-N 505.576 2.310 0 40 KEAB COCCN(C(=O)COC(=O)c1cccc2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 15934889 ZLQGUEMVFRPDCJ-UHFFFAOYSA-N 502.527 2.157 0 40 KEAB CC(C)NC(=O)c1ccc2c(=O)n(Cc3ccccc3)c3nn(CC(=O)NC4CCCCC4)c(=O)n3c2c1 64581265 PMMIQNGETQTBLM-UHFFFAOYSA-N 516.602 2.446 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(=O)O)oc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 85867822 ZUKVGFWPSCEHIY-UCOXNWQPSA-N 670.576 2.391 0 40 KEAB COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 150398127 MKWWCDNXUXCHJM-IBGZPJMESA-N 638.772 2.378 0 40 KEAB O=S1(=O)C[C@@H](O)[C@H](N(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575423554 GJYKNROENDEQCD-QZTJIDSGSA-N 612.362 2.427 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NC[C@H]2CCCO2)CCC(=O)N[C@@H](CC(C)C)C1=O 643584430 AMJUJFMNXHHXRO-NHTMILBNSA-N 544.693 2.412 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N 6546650 DGWIWAGGFACCOX-GOSISDBHSA-N 519.580 2.088 0 40 KEAB COc1cc([C@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)c2snc(C(N)=O)c2N)cc(OC)c1OC 6906367 DKWSHZUPJSWIAS-HRAATJIYSA-N 561.661 2.271 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 8399806 PQKCSZJAFMCFBW-UQTDQPHJSA-N 552.653 2.160 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 30853456 GNKIMNPCOQJPDV-UHFFFAOYSA-N 524.665 2.348 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1C 59838782 XEUADYDKYPCPSP-QFIPXVFZSA-N 565.714 2.132 0 40 KEAB COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)ccc1OC(F)F 72136250 VIVQPEKZOODHKS-UHFFFAOYSA-N 527.546 2.406 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 103140651 PZSDMLWHFHWONM-UHFFFAOYSA-N 532.040 2.173 0 40 KEAB CC(C)N1CN([C@@H](C(=O)N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)O)c2ccc(O)cc2)CSC1=S 104298028 HLOVLXOMEHUUPK-WFXMFSGNSA-N 524.690 2.024 0 40 KEAB CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 170621331 RNTZZLCNXJPCLR-ZNOUKXQUSA-N 616.572 2.051 0 40 KEAB COc1ccc(-n2nnc(C(=O)N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c2N)cc1 1889252072 XCVOGDGJTFLLTH-UHFFFAOYSA-N 547.547 2.308 0 40 KEAB CC(C)NC(=O)CN1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3 2037879183 DABSORSEKADROE-ISJGIBHGSA-N 510.679 2.192 0 40 KEAB O=C1N[C@H]2CCN(CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1 2037884803 GETRMYOPHRWPOA-SSBOKUKZSA-N 631.774 2.245 0 40 KEAB CCC(=O)OC[C@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H](OC(=O)CC)[C@@H](COC(=O)CC)OC(=O)CC 5063423 JSVBFXLBJJPXRV-RIQHXCIPSA-N 518.556 2.180 0 40 KEAB Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 19940610 ZTKFDCUFDOEFFX-WMZHIEFXSA-N 503.563 2.142 0 40 KEAB COc1ccccc1CNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O 29749127 JFZAGIMPQLTWNQ-DEOSSOPVSA-N 634.740 2.100 0 40 KEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1 38140781 JKDGAWNXYZSLHK-MRXNPFEDSA-N 531.587 2.403 0 40 KEAB COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2cc(OC)c(OC)cc21 60266436 IWXKIIVEBAASNB-OPVHHSRSSA-N 563.654 2.432 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 97944509 QLLQLDHUMNJZDL-HVUZKSCUSA-N 569.636 2.254 0 40 KEAB COc1ccc(OCC(=O)c2ccc(OC[C@H]3O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc2O)cc1 104823938 OYBAMXUCHZQZPJ-ZCCUTQAASA-N 604.561 2.124 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224763103 VUQNFNITRRNEGW-LJQANCHMSA-N 503.621 2.476 0 40 KEAB CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCC(F)(F)CC4)C[C@H]3C(=O)NC[C@H]1O2 253402863 OYAILYNXYFEUQN-FEVSWUGISA-N 548.631 2.342 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1Cl 409028464 NBNZENRYLBAPJG-UHFFFAOYSA-N 522.432 2.419 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\[C@H]3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036199 AMJPOQCHPWGNQY-KWMJENSOSA-N 713.190 2.418 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643566016 UFTXJVPMJJABDY-GOTSBHOMSA-N 526.609 2.055 0 40 KEAB CSc1cccc(NC(=O)N[C@H]2CCN(C(=O)c3cccn3C)[C@@H]2C(=O)N[C@H](Cc2ccccc2)C(N)=O)c1 4200992 WIKSIMBDBWEVEZ-ZDXQCDESSA-N 548.669 2.365 0 40 KEAB biogenic,in-vitro CCOC(=O)[C@@](O)(c1ccc(OC)c(N[C@@](NC(C)=O)(C(=O)OCC)C(F)(F)F)c1)C(F)(F)F 8926471 HIEPFWWYBZYXTM-IRXDYDNUSA-N 504.380 2.378 0 40 KEAB COc1ccc(CN[C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)cc1 19911953 JSQJESSMGVPPEO-GOSISDBHSA-N 506.795 2.442 0 40 KEAB CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 22228032 HMXRITISOFKONN-UHFFFAOYSA-N 515.679 2.190 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 60028678 LUTWGHWONGPIEI-UHFFFAOYSA-N 561.642 2.176 0 40 KEAB Cn1c(=O)c(C(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(N)n(Cc2ccccc2)c1=O 102910285 NCUXKCVTLGMINZ-UHFFFAOYSA-N 545.518 2.234 0 40 KEAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 408535805 WQFWDLFFXLBICZ-UHFFFAOYSA-N 501.605 2.231 0 40 KEAB CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 472866803 SQCJGICLIMLWFB-UGJKXSETSA-N 686.854 2.065 0 40 KEAB in-vitro COc1cc([C@H](CC(=O)NCCn2ccc3c(cnc4ccnn43)c2=O)c2oc(C)cc(=O)c2O)ccc1O 524729129 FFOKWWSWHCKDAN-KRWDZBQOSA-N 531.525 2.064 0 40 KEAB biogenic Cc1c(NC(=O)CN2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)cnn1C 1615127589 SIMUVTRECPSHLU-UODIDJSMSA-N 562.715 2.348 0 40 KEAB CC(C)[C@@H](N)C(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3 2037829061 NPBZIZYYONZPLS-CXSMSNRLSA-N 510.679 2.177 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)c1cc(Cl)ccc1OC[C@H](N)CC(C)C)C(=O)O 2037879745 NJSAHYDDLDGHAG-WTFQOOOSSA-N 513.035 2.072 0 40 KEAB O=C1N[C@H]2CCN(C(=O)c3cncnc3O)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1 2037879917 XJLXOECBKDQAHU-YFNKSVMNSA-N 533.629 2.003 0 40 KEAB COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1 2037916283 PMDIOUVDKGHVFZ-NSOVKSMOSA-N 602.688 2.217 0 40 KEAB C[C@@H]1Cc2cc(O)cc(O)c2C(=O)O[C@H](C)CC(=O)O[C@H](CO)CC(=O)O[C@H](C)Cc2cc(O)cc(O)c2C(=O)O[C@H](C)CC(=O)O1 3929774 QFILNQIVBJLREP-RZOYPLJHSA-N 662.641 2.336 0 40 KEAB biogenic CCOC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2nnnc2-c2ccc3c(c2)OCCO3)c1 4259446 VZOZKFDHRZTLSB-ZHNGQKSSSA-N 523.502 2.244 0 40 KEAB biogenic,in-vitro CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 10342457 IEUITAVISZKBBL-DHIUTWEWSA-N 526.590 2.249 0 40 KEAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)cc1 13068368 XSNUBGHYBBIBDD-FZKGZDJFSA-N 517.336 2.327 0 40 KEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1S(=O)(=O)N(C)C 103067913 VPFWGRVFMXRHQY-YADARESESA-N 535.619 2.457 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2cc(Br)c(N)c(Br)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 150413200 RAQHNWWPQJUHKT-LFZDHENXSA-N 655.318 2.163 0 40 KEAB COc1ccc(S(=O)(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1N1C(=O)CCC1=O 224032045 QVMVBZDHNFFXSK-UHFFFAOYSA-N 537.616 2.333 0 40 KEAB Cc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1C 224368351 ZYEIVLJWTYAKDB-UHFFFAOYSA-N 523.677 2.439 0 40 KEAB COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(OC(F)(F)F)cc4)C[C@H]3C(=O)NC[C@H]1O2 253394212 AWCJSICVEGKGDO-SDBGCZOPSA-N 634.652 2.489 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409113095 DNDOJSVYIWOHOT-RKKARLDVSA-N 519.579 2.162 0 40 KEAB CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N[C@H](C(=O)NCCCn2ccnc2)CC(=O)N1C 643576012 CVPIJKLMGSKXHR-DTXPUJKBSA-N 673.815 2.077 0 40 KEAB O=C(O)c1cc(C(=O)Nc2ccc(C3=NCCN3)cc2)c(C(=O)O)cc1C(=O)Nc1ccc(C2=NCCN2)cc1 1695628 XYVIUACSGPJNJK-UHFFFAOYSA-N 540.536 2.287 0 40 KEAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 12588357 RCWYOFSTRHUYPH-GJZGRUSLSA-N 503.415 2.416 0 40 KEAB COc1ccc(Cn2nnnc2CN(CCCN2CCOCC2)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 12833377 AHVAKFSZTOJXGP-UHFFFAOYSA-N 533.633 2.305 0 40 KEAB CCOC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F 16682657 LCQMJMOTMRIGEZ-RRQMUBCJSA-N 516.435 2.300 0 40 KEAB COCCn1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(Cc2ccccc2)CC1 19973365 WPKNADNJCYHKRO-VWLOTQADSA-N 519.606 2.085 0 40 KEAB Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccn(-c2nc(-c3cnn(C)c3)cc(C(F)(F)F)n2)n1 22830236 NKJAVZMPYUWAQF-UHFFFAOYSA-N 506.470 2.290 0 40 KEAB CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 35454658 HUSISCNTLUEZCN-YTBMUXGUSA-N 514.656 2.297 0 40 KEAB biogenic,in-vitro COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1Cl 60018280 ZDEKTXHJRRYMSM-UHFFFAOYSA-N 525.996 2.344 0 40 KEAB CCCn1c2c(c(=O)n(CC(=O)Nc3ccccc3F)c1=O)C(=O)[C@H](C)N2CC(=O)Nc1ccccc1F 102890235 FVQYWBIDOUEUMK-HNNXBMFYSA-N 525.512 2.367 0 40 KEAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 224608030 BJNXXMPSQRINHW-OAQYLSRUSA-N 505.637 2.456 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@H]1[C@H](C[C@@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@H]4[C@]1(O)[C@H]2OC 245240017 NWBWCXBPKTTZNQ-FWKAREELSA-N 584.710 2.222 0 40 KEAB biogenic,in-vitro COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 260719669 LLUPYKJXNFIQIU-YKSBVNFPSA-N 517.648 2.169 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCn3cccn3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 585275085 VZCGOKORCIEEMR-HHHXNRCGSA-N 530.572 2.341 0 40 KEAB COC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N(C)CC(=O)N(C)[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1 643569586 KNNSGHHVVFYADG-GSLIJJQTSA-N 564.683 2.123 0 40 KEAB CCOC(=O)C1=C(C)n2c(s/c(=C3\C(=O)N(C(C)=O)c4ccccc43)c2=O)=N[C@H]1c1ccc(OC)cc1 2372401 ZFENLNWBYDIFNU-VFJWVMJUSA-N 517.563 2.179 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(OC)cc4)o3)cc2)CC1 9412721 VLBAXHVVDONEQQ-UHFFFAOYSA-N 515.548 2.460 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(=O)[nH]c1=O 38152782 OMCASUPBYBRWDU-UHFFFAOYSA-N 542.058 2.040 0 40 KEAB COCCOC(=O)c1c(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)sc(C(N)=O)c1C 103053386 YHKJMMNLKOHSCD-UHFFFAOYSA-N 550.593 2.393 0 40 KEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1OC 103128662 RCEBLKPWYFVTTH-VWLOTQADSA-N 530.603 2.284 0 40 KEAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)Oc2ccc(Cl)cc21 139732859 XKSZGSZLQVWCQY-SFHVURJKSA-N 523.980 2.097 0 40 KEAB COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1Cl 224367772 KIGSFDCTQYSXBE-UHFFFAOYSA-N 560.094 2.484 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 225452140 KVBQKSFDQXOLJM-OAHLLOKOSA-N 542.452 2.396 0 40 KEAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)NC3(CCCC3)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1 643572870 KJHAELMJPMQUKJ-ALYLKEMTSA-N 635.762 2.010 0 40 KEAB COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(=O)O)N[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1OC 2131477 FLMSSJXAFALJRO-RLLIMONSSA-N 541.988 2.494 0 40 KEAB biogenic O=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(I)cc1 3231836 LPWDZMLWFYUARX-UHFFFAOYSA-N 550.396 2.098 0 40 KEAB CCS[C@@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(=S)[nH]cnc21 5665565 WHXVJAUADCEEAT-PYQAKABTSA-N 514.582 2.099 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)NCc3ccco3)cc2)cc1 12538336 DBVJAOBZGUHEHO-UHFFFAOYSA-N 515.544 2.302 0 40 KEAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)c1 12794132 FMELRYFVZMXXMI-UHFFFAOYSA-N 503.606 2.242 0 40 KEAB COC(=O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@@H](c3ccc(OC)c(OC)c3)c3sc(=O)[nH]c3S[C@H]12 248138761 PYRQISFDANFGQF-INVBPPQYSA-N 516.597 2.100 0 40 KEAB CCCCN(C(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 514387149 JJEOYDIMUWTLRD-MRXNPFEDSA-N 526.508 2.116 0 40 KEAB O=C(N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1cc(Br)ccc1Br)C(Cl)(Cl)Cl 575421034 GFZQVUHIFVQXEC-RKDXNWHRSA-N 593.530 2.142 0 40 KEAB CO[C@@H]1CCCN(C(=O)[C@@H](NC(=O)[C@@H](C)N(C)C(=O)c2ccccc2-c2ccccc2)[C@H](C)O)[C@@H]1CCC(=O)N[C@@H](CCCCN)C(=O)O 585294081 NNLXZNIYHGMTOF-XJNHZAGHSA-N 681.831 2.164 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12633020 OMRQLLVKCXNQQH-UHFFFAOYSA-N 507.634 2.443 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20041740 NCQFWPFKXAVPPQ-UHFFFAOYSA-N 515.617 2.458 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc2c(c1)OCO2 20452909 DQXLCHIBIOLQGO-UHFFFAOYSA-N 504.546 2.016 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(C)c(C)c(=O)oc3c2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70691809 PVMMAVRPFKDKTI-DNMDETFRSA-N 534.514 2.180 0 40 KEAB biogenic CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 101264787 WDDHSGOIZWMUML-QHCPKHFHSA-N 560.577 2.142 0 40 KEAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)NC(=O)[C@@H]1COc2ccccc2O1 103047334 LPCDINCVEKQSNU-DEOSSOPVSA-N 552.561 2.086 0 40 KEAB COC(=O)COc1c(I)cc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cc1OC 106744626 IEHRIKMTRIMGSJ-SDQBBNPISA-N 521.285 2.061 0 40 KEAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OCC(=O)OC 214641594 OZHPTUVVJOMUSW-MHWRWJLKSA-N 590.392 2.137 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223061966 ZSRLGCGYFMXLKV-OAHLLOKOSA-N 540.436 2.497 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)CC2)cc1 225482525 UUNJVEZWMNTLLB-UHFFFAOYSA-N 534.704 2.279 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(C)cc43)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 409118726 NVBOMSOHWDAJFQ-JDSGXEOOSA-N 549.605 2.455 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 6601636 JXHVJWAQQCJZBA-OAQYLSRUSA-N 525.587 2.290 0 40 KEAB CCC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1CN(c3ccccc3OC)CCN21 9087344 VJECCSRSUOUJGL-QFIPXVFZSA-N 505.575 2.332 0 40 KEAB CC(=O)Oc1cc(C)cc2oc(=O)c(CC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c(C)c12 9305994 OVZALRPWRGTIBS-DEOSSOPVSA-N 520.538 2.388 0 40 KEAB C[C@@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1C(=O)c2ccccc2C1=O 12622281 XAMUSTBTPYACMI-AWEZNQCLSA-N 519.963 2.291 0 40 KEAB COCCn1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2ccccc2OC)CC1 19973277 DOCZCBUQOHJOSI-DEOSSOPVSA-N 505.579 2.090 0 40 KEAB COc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)ccc1O 100336312 QSKMWBYMXLCUEV-PBBNMVCDSA-N 613.635 2.200 0 40 KEAB O=C1COc2ccc(C(=O)COC(=O)c3cc(S(=O)(=O)N4CCOCC4)c(Cl)cc3Cl)cc2N1 103102359 FAIOJNKGUSVJNG-UHFFFAOYSA-N 529.354 2.385 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 222794693 ZZQHFBZGQXNCKE-HNNXBMFYSA-N 512.426 2.387 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 225465057 KHMVIJAUMOVGGH-OAHLLOKOSA-N 529.432 2.364 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc(C)n[nH]2)Cc2ccccc2)cc1OC 226010755 HFGIVMHTRUPGSS-UHFFFAOYSA-N 505.622 2.230 0 40 KEAB CCOc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)cc1 408574807 DIFPZIHRIRMKMU-NRFANRHFSA-N 524.618 2.294 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC(C)C)CC(=O)N[C@@H](CC(C)C)C1=O 643912931 DCZCSEDSETWUAB-VXKWHMMOSA-N 502.656 2.499 0 40 KEAB O=C(CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 3263338 PTSNQNWZIJQWCL-UHFFFAOYSA-N 539.566 2.497 0 40 KEAB COCCNC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccccc1OC)C(=O)c1snc(C(N)=O)c1N 6905055 RFXNFKJFVBLHEZ-FQEVSTJZSA-N 515.567 2.118 0 40 KEAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)ccc1OC 30852653 HEGOVSSDMKRMHY-UHFFFAOYSA-N 505.578 2.063 0 40 KEAB CO[C@H]1C[C@H]2C=C[C@H]3[C@H]4O[C@@]2(/C(C)=C\[C@@H](C)[C@@H]([C@@H](C)O)OC1=O)[C@H]3[C@H](O)[C@H](C)[C@@H]4OC(=O)c1ccc[nH]1 100403470 YEUSSARNQQYBKH-BMLILQBRSA-N 515.603 2.400 0 40 KEAB Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCN4CCOCC4)CC3=O)cc2)cc1Cl 408582753 XJCPBVGZEVNOOA-IBGZPJMESA-N 515.010 2.467 0 40 KEAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/[C@H]4C(=O)NC(=S)N(c5ccc(C)c(C)c5)C4=O)c(=O)n32)cc1OCC 408935209 MZKMLWWTQLJHSN-GQOYRFDASA-N 634.736 2.448 0 40 KEAB CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2c[nH]c3ccccc23)CCC(=O)N(C)CC(=O)N1 643571746 HLVULXRFKUVOHU-DQEYMECFSA-N 547.656 2.397 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1OC 6546847 FVBDXSBUKQBISM-LJQANCHMSA-N 531.616 2.270 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)cc1 6973725 LESWJPKDTYJUIZ-GHTZIAJQSA-N 525.587 2.222 0 40 KEAB O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)NCc1ccccc1Cl 9382045 PZBADEDJAROELB-UHFFFAOYSA-N 500.943 2.436 0 40 KEAB COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccco2)cc1 38145773 FJIKHOBPJRMCOQ-QFQXNSOFSA-N 567.620 2.498 0 40 KEAB CC(=O)OCC(=O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@@]4(O)C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@@H]3CC[C@@]12C 39942652 ZTWWQCOHUBHIGI-BGHFKRQZSA-N 508.608 2.482 0 40 KEAB CCS(=O)(=O)N(CC(=O)N1CCN(c2c(Cl)cnn(-c3ccccc3)c2=O)CC1)c1ccc(OC)cc1 98042771 WEGLVKGQHQBYGG-UHFFFAOYSA-N 546.049 2.399 0 40 KEAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OCC(=O)O 214679562 NSIZZRLBHXYSAP-OQLLNIDSSA-N 576.365 2.048 0 40 KEAB C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)C3(C)C)[C@@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 253390271 CLQAMCIMWDLXGK-CDXFCDRASA-N 911.092 2.465 0 40 KEAB biogenic,in-vitro COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3OCC(=O)N3CCOCC3)C2=O)o1 409398023 BAMASMNRVVIIJK-BOPFTXTBSA-N 503.895 2.050 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 585282024 FYOHKMNZDMCXKY-GDLZYMKVSA-N 529.653 2.375 0 40 KEAB Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCc3ccnn3C)CCO2)ccc1Cl 585286135 NDRBSQQYFQATMR-SANMLTNESA-N 518.058 2.155 0 40 KEAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1 643558944 WMDIFRHJFUZWTM-XMMPIXPASA-N 548.750 2.311 0 40 KEAB CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](O)C(C)(C)O 2332243331 HMBXWIISEWSWQK-RCLRQSDNSA-N 678.860 2.409 0 40 KEAB CCOC(=O)[C@@H](Cc1ccc(OC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 4016484 GAGZBZLMVJQLLZ-HYBUGGRVSA-N 628.679 2.138 0 40 KEAB CCOC(=O)[C@@](NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)C(F)(F)F 8445386 YGQANBCTQPYFME-SFHVURJKSA-N 505.475 2.046 0 40 KEAB CCN(CC)CCN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 13510490 XIROOYQOKZEOJL-UHFFFAOYSA-N 514.645 2.047 0 40 KEAB CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3ccccc3F)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 170621333 YKEMJYWTAXGIRJ-MASCHLQQSA-N 576.526 2.419 0 40 KEAB CCCSc1nc(N[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@H](O)[C@H]3O)c2n1 306122928 OEKWJQXRCDYSHL-MGXMICMRSA-N 522.578 2.014 0 40 KEAB in-vitro COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 408652141 FKQYKXCUFMHIOR-AWEZNQCLSA-N 509.437 2.398 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409386799 GKZYXXOXCYSBFO-NPJIAGGLSA-N 591.642 2.095 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OC[C@@H](C(C)C)NC1=O 643565456 ZNYHVOTXLYQLJG-SDHOMARFSA-N 551.688 2.383 0 40 KEAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O 643573126 LZUMGENGGMCJTG-AGVOOJLBSA-N 607.752 2.103 0 40 KEAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1OCC(F)(F)F)CS2 12896842 ZTJKSXJJBORMBI-BEFAXECRSA-N 523.555 2.041 0 40 KEAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)C2=O 13095532 APNSRDLRKVCBAA-QKKBWIMNSA-N 517.073 2.371 0 40 KEAB COc1ccc(OCc2cc(C(=O)OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(C)o2)cc1 13148522 GAOFZHSQLHGMDQ-UHFFFAOYSA-N 502.545 2.339 0 40 KEAB COc1cc2cc(CN(CCCN3CCOCC3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2cc1OC 19941023 OLIXPTGOIFOVFL-FQEVSTJZSA-N 504.653 2.123 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 20032426 QJZAVAPPOKCANQ-UHFFFAOYSA-N 517.629 2.111 0 40 KEAB COc1ccc(Br)cc1CC1(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N(C)C(=O)N(C)C1=O 70670210 KNQBJTVAWXBVRC-AEFFLSMTSA-N 557.445 2.318 0 40 KEAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 22228000 JMMBTGUFIDNQAM-UHFFFAOYSA-N 509.650 2.141 0 40 KEAB CCOC(=O)c1c(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)sc(C(=O)N(C)C)c1C 102999111 DOIXPXDPNLQWRJ-UHFFFAOYSA-N 568.674 2.015 0 40 KEAB CCCN(C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)[C@H]1CCS(=O)(=O)C1 13009927 DQTVLCZQOSFPMB-QHCPKHFHSA-N 519.689 2.232 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)cc1 14399510 ZAORRHIUGZIBDE-UHFFFAOYSA-N 511.622 2.283 0 40 KEAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 22820932 WBILUDCGKSHYNV-UHFFFAOYSA-N 511.630 2.402 0 40 KEAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 32970873 MWHYVQZWSHKMJU-JOCHJYFZSA-N 512.003 2.303 0 40 KEAB CCCCOC(=O)NC(=O)c1cn(CCCOC(=O)CCCCCCCCC(=O)OCCCn2cc(C(=O)NC(=O)OCCCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O 95551827 DZNOOUYZUXXHOE-UHFFFAOYSA-N 792.840 2.407 0 40 KEAB O=C(OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 100017233 SRPSJMLVXZRXTM-WJNCPCKPSA-N 557.515 2.137 0 40 KEAB biogenic COc1ccc(CNC(=O)[C@H](CCSC)NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1OC 135639272 SXTXXGZKRSRLSZ-ZCNNSNEGSA-N 514.648 2.432 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 226077492 UDRGNDLFYLXZIR-KRWDZBQOSA-N 500.042 2.144 0 40 KEAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OC[C@@H](C)NC1=O 643573601 RZKQXZUVDBMEHV-MOADCYBESA-N 540.636 2.446 0 40 KEAB O=C(c1ccc(O)nc1)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1 643577935 ITBHJDUQKGHWNY-BJKOFHAPSA-N 511.619 2.351 0 40 KEAB O=C(/C=C/c1cnc2ccccc2n1)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2664848 DEIBATXRGIECNS-JXMROGBWSA-N 500.964 2.373 0 40 KEAB CCS[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(=S)[nH]cnc21 5665564 WHXVJAUADCEEAT-WVSUBDOOSA-N 514.582 2.099 0 40 KEAB O=C(c1ccco1)N1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2Cc2ccccc2)CC1 6446658 ITEDKKJRNUTZAU-VWLOTQADSA-N 539.552 2.432 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1OC 6547133 DIDXIILWULSJDK-FQEVSTJZSA-N 529.575 2.110 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1Cl 59838516 DOMUXAPEKQOMGF-UHFFFAOYSA-N 530.068 2.316 0 40 KEAB CCN1C[C@]2(COC)CC[C@H](OC(C)=O)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@@](OC(C)=O)([C@H]5[C@H]6OC(C)=O)[C@@H]([C@H](OC)[C@H]23)[C@@H]14 253393405 TWHJAEKWJMCVDA-OFOQCNNCSA-N 563.688 2.214 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031549 HGYZSEKAFYERFG-VZFFITARSA-N 582.631 2.463 0 40 KEAB Cc1nc(C)n(CCC(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)n1 585287129 UEQWSVHNAIZNQN-VWLOTQADSA-N 520.030 2.172 0 40 KEAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1 13027856 WXFAQDUCRJHOHC-UHFFFAOYSA-N 513.638 2.432 0 40 KEAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1nnc(C(F)(F)F)s1 17250901 ZHRRZUKHYKQKJA-UHFFFAOYSA-N 511.935 2.462 0 40 KEAB CC[C@@H](C)N(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@H]1CCS(=O)(=O)C1 23080653 JMBOKOCQFJPQRB-CTNGQTDRSA-N 528.693 2.062 0 40 KEAB COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cc(Cl)ccc21 100876356 SFBVFRQRCMGFNX-LNVKXUELSA-N 509.993 2.291 0 40 KEAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCOCC3)cc1)O2 224477060 JAADDAUKQPXOPJ-MHZLTWQESA-N 601.703 2.167 0 40 KEAB C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224484750 BVMNPSDHIMSFOV-INIZCTEOSA-N 580.512 2.364 0 40 KEAB COc1cc(OC)cc([C@@H](CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccccc2C)c1 4475154 BUHVIAUBTBOHAG-JMFNPSSSSA-N 521.574 2.007 0 40 KEAB in-vitro Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@@H]3CCOC3=O)c2)c(=O)n(-c2ccccc2)n1C 6132043 MNLOJYFFYXOKBW-GOSISDBHSA-N 505.936 2.411 0 40 KEAB CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 6632011 ZDQWBWOFDJWWJQ-CMCISMSHSA-N 522.602 2.058 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Cl)cc4)o3)[C@H]2SC1 9201700 UZDJAUSXPPRLAJ-DYESRHJHSA-N 506.920 2.427 0 40 KEAB O=C(CN(Cc1ccccc1)C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NCc1ccccc1 12710582 CDYPHDYOGLBUCU-QNGWXLTQSA-N 521.595 2.448 0 40 KEAB COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cnn(C)c4)c(=O)n32)ccc1O 30849596 SQPKFVCZWXTBAL-KIHONOKQSA-N 501.568 2.322 0 40 KEAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59837504 ZSCLSJXYGCMWDK-UHFFFAOYSA-N 553.678 2.486 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70665288 DHEYTJVPOXJDMJ-WSGIOKLISA-N 579.580 2.044 0 40 KEAB biogenic CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224578823 MRLVHHBDCPVHTB-NRFANRHFSA-N 519.620 2.176 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCCCC2)CC(=O)N2CCC[C@@H]2C(=O)N1 643564798 GUEHWLRTPOFYOM-AYRHNUGRSA-N 569.747 2.472 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)c(=O)[nH]c1=O 38140440 BPDFXPSLPZEPGF-UHFFFAOYSA-N 549.694 2.408 0 40 KEAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(F)ccc3n2CC(=O)OC)cc1 100876516 LXZCQUOPDZTZRE-BZZOAKBMSA-N 539.607 2.040 0 40 KEAB O=C(Cn1cc(I)c(=O)c(I)c1)OCC(=O)N1CCc2ccccc2C1 102176917 FMLBGXXWWANAIM-UHFFFAOYSA-N 578.144 2.186 0 40 KEAB COc1cc(NC(=O)Cn2c(=O)c3ccccc3c(=O)n2CC(=O)Nc2cc(OC)cc(OC)c2)cc(OC)c1 102903889 YXOOLQSUJUUDOZ-UHFFFAOYSA-N 548.552 2.475 0 40 KEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O 103136957 WSJXVMJYVGXRQG-OAQYLSRUSA-N 555.632 2.162 0 40 KEAB CN(C(=O)CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1)[C@@H]1CCS(=O)(=O)C1 103137533 FJDAWJLNAAOQHD-QGZVFWFLSA-N 525.612 2.232 0 40 KEAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1C(=O)N1CCCCCC1 224224321 CJFWKAKUFZBHGF-UHFFFAOYSA-N 539.676 2.319 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2O[C@@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@]45C)C3(C)C)O[C@@H](C(=O)O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 253500565 AVJNWIDNAJCPRK-GCMUESHKSA-N 897.109 2.371 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C\[C@@H]3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036201 AMJPOQCHPWGNQY-ZVWULFIESA-N 713.190 2.418 0 40 KEAB O=C1NCCNC(=O)[C@@]2(CC=CCOc3ccccc31)CCCN(CC(=O)N1CCN(c3ccccc3)CC1)C2 2037879790 QBPLTEWUEDWMEN-HKBQPEDESA-N 545.684 2.302 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C(=O)O)[C@H](C)O 70700634 GHOKLCHUJDMSOZ-TURHPLGHSA-N 532.597 2.119 0 40 KEAB Cc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5Cl)c4n3)CC2)ccc1-n1cnnn1 100446251 OTLVDPKIYAWLNF-UHFFFAOYSA-N 567.035 2.481 0 40 KEAB O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CCCN1CCN(CCCN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)CC1 100700206 QJTUCZXIWMBYSY-YSFYHYPLSA-N 537.488 2.420 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Br)cc1 102100704 PDTBYBOLFRQENI-OAQYLSRUSA-N 532.414 2.066 0 40 KEAB COc1cc2c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c(=O)n(CC(=O)N3CCCC3)c2cc1OC 102523744 VAFJSYALVUYYCO-UHFFFAOYSA-N 546.580 2.374 0 40 KEAB CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(C)cccc1C)C(C)C 150341136 SQVWAAVGDUBSLA-NCHNNOHISA-N 938.114 2.080 0 40 KEAB COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)c1 170593553 OGRQOXXUZIKSML-QPSIXJLBSA-N 566.394 2.394 0 40 KEAB O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)NCc1ccc2c(c1)OCO2 245053558 OZXVGXPGEAVSAV-UHFFFAOYSA-N 500.555 2.099 0 40 KEAB CC(=O)OC[C@@H](O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@@]4(O)C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@@H]3CC[C@@]12C 253595911 KULCHMMNCMFNLY-CPTNURMJSA-N 510.624 2.274 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408704141 KCWVGOFLXYXUQP-MRXNPFEDSA-N 511.622 2.282 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCN(C)C)c2)C[C@@](O)(COc2ccc(F)cc2F)C1 585283174 QOIFWBLMOSRZDX-SANMLTNESA-N 507.578 2.006 0 40 KEAB COc1cccc(CCNC(=O)[C@@H]2CC(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c1 643576559 RFGFKTOVVHPZLX-CHQNGUEUSA-N 669.779 2.160 0 40 KEAB CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCCN1CCOCC1 13593539 IPCOLMRXXOCPIS-BPYKYCOYSA-N 502.681 2.404 0 40 KEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)cc2)n1 60028882 FUTLABPDLJANKT-UHFFFAOYSA-N 545.643 2.476 0 40 KEAB C[C@]12CN(CC(=O)NC3CCCCC3)C[C@H]1C(=O)N(CC(=O)NC1CCCCC1)c1ccccc1C(=O)N2 72341244 UQTPKVAZYYXYIL-IADCTJSHSA-N 523.678 2.351 0 40 KEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 97674634 ZHDZUDWKWGRQNO-FUNKKEAFSA-N 500.602 2.011 0 40 KEAB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]45)[C@H]23)ccc1O 100922655 BWSWDBNLAXXHNC-CIYYCHBZSA-N 516.597 2.489 0 40 KEAB COC(=O)[C@]12C=C[C@H](CC1)[C@H]1C(=O)N(c3cccc(N4C(=O)[C@@H]5[C@H]6C=C[C@@](C(=O)OC)(CC6)[C@@H]5C4=O)c3)C(=O)[C@@H]12 104058962 AQJQBGWZFOYOQM-AUSMGUBPSA-N 544.560 2.176 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCOCCOCCN(C(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CCOCCOCC2)C(C)C)cc1 163998549 WWMZPLDSGYIBEI-KKLWWLSJSA-N 768.996 2.347 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C(=O)NCCCOC(C)C)cc1 222935029 CBLRMFMDKQCIEV-QHCPKHFHSA-N 591.727 2.444 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225459551 IDEBTDCWOWINCE-HNNXBMFYSA-N 540.436 2.150 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 225491100 UUGPOUDGWHPHEJ-OAHLLOKOSA-N 529.432 2.364 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1 260885956 BOSKNVSCUMLZNA-FQEVSTJZSA-N 551.687 2.076 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408704140 KCWVGOFLXYXUQP-INIZCTEOSA-N 511.622 2.282 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCn3cncn3)c2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 585281822 BNBMDGILGYZDKF-NDEPHWFRSA-N 523.634 2.075 0 40 KEAB COC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CN(C(=O)c2cccnc2)CCN1C(=O)c1cccnc1 3838721 RCICZABQLVZOJP-GOTSBHOMSA-N 507.591 2.072 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(COC(=O)CCn2nc(-c3cccs3)oc2=O)NC(=O)N[C@H]1c1ccc(C)o1 12782248 QQRXKBSZNUZIDS-SFHVURJKSA-N 502.505 2.271 0 40 KEAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 13119607 DWTBKPTZOJDCME-XMMPIXPASA-N 519.023 2.339 0 40 KEAB CCOC(=O)/C=c1\s/c(=C\c2ccc3cc(OC)ccc3c2)c(=O)n1CC(=O)NCc1ccc2c(c1)OCO2 17574476 MUBLPUKJJKBVGY-OUUGJXKFSA-N 546.601 2.289 0 40 KEAB CCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 19830658 QDFSKVBEDDHOMT-UHFFFAOYSA-N 503.397 2.361 0 40 KEAB COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 22869376 IMFFALFPTNLAMM-WXVAWEFUSA-N 559.627 2.338 0 40 KEAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Cl 49597230 DAVQRGLDNMGNJQ-CLAROIROSA-N 513.944 2.400 0 40 KEAB biogenic,in-vitro Cc1c(NS(=O)(=O)c2cc(Cl)cc(C(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)c2)c(=O)n(-c2ccccc2)n1C 102993190 UQZPERPIKMNDEV-UHFFFAOYSA-N 583.026 2.389 0 40 KEAB CCOC(=O)[C@@H](C)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](N)Cc1ccc(OCc2ccccc2)cc1 150381548 PKSYUSBHIMIUJC-XCQPVXNCSA-N 646.741 2.326 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 225524074 YIWADXCXEWOHFM-LJQANCHMSA-N 537.660 2.064 0 40 KEAB COc1ccc(/C=C/C(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(C)=O)C[C@@H]2CC(C)C)cc1OC 643551450 KQDWLPGBYXJBQN-NAGACRGYSA-N 550.693 2.356 0 40 KEAB CC(=O)OC[C@H]1[C@@H](OC(C)=O)[C@H]2[C@H](OC(C)=O)[C@]34O[C@]2(C)COC(=O)c2cccnc2CC[C@](C)(OC(=O)c2ccccc2)C(=O)O[C@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]13)[C@@]4(C)O 2061000613 XZWMTGINSOVMEJ-QXEFQNKVSA-N 867.854 2.157 0 40 KEAB CCOC(=O)[C@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1cccc2ccccc12 2071241 QGBWDGWFKQAHDP-LPHOPBHVSA-N 512.588 2.450 0 40 KEAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 11867019 NRWWDWSXURLFSF-KCWXNJEJSA-N 541.645 2.209 0 40 KEAB COc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1S(=O)(=O)N1CCCCC1 20493584 BCSMHLCXPFEMDB-UHFFFAOYSA-N 528.628 2.260 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cc1 101510845 HAGPZKOWAVRCJU-UHFFFAOYSA-N 542.618 2.422 0 40 KEAB CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(I)cc3)cc2)CC1 105318738 SQOXUBJHNIPVLS-UHFFFAOYSA-N 544.440 2.500 0 40 KEAB CC(=O)OCC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@]4(O)C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@H]3CC[C@]12C 118933482 ZTWWQCOHUBHIGI-CYCCMRHDSA-N 508.608 2.482 0 40 KEAB CCOC(=O)CC[C@H](NC(=O)CCCCCCC(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC 216759903 KGURLBRIRXSQRB-PMACEKPBSA-N 544.642 2.109 0 40 KEAB C[C@H](C(=O)NCCO)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 222811122 CVTCYXLZJCWILY-QGZVFWFLSA-N 508.040 2.239 0 40 KEAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O 245380168 SKCBOHGILGKGJY-MBDNFAEBSA-N 553.745 2.464 0 40 KEAB O=C(O)COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1I 408553063 WNQDSFHBCZKAAD-RIYZIHGNSA-N 516.313 2.413 0 40 KEAB CC(C)OC[C@@H](O)CNC(=O)CN1CCCCCCOc2ccccc2N(CC(=O)NC[C@@H](O)COC(C)C)c2cncc(c2)C1=O 643585227 TWPRSDMFHYJIIH-URLMMPGGSA-N 657.809 2.419 0 40 KEAB CC[C@H](C)[C@]1(C)NC(=O)[C@]2(C)CCCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O 1774020809 XMKZYWLIQUJHIT-NSIJXKKGSA-N 621.820 2.096 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3ccc4c(c3)OCCO4)n2)cc1OC 12480861 PNJFIVUWRDBTTN-UHFFFAOYSA-N 522.562 2.221 0 40 KEAB COc1ccc(OCCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 12921599 CIXVJGNRVTZMGX-UHFFFAOYSA-N 524.574 2.177 0 40 KEAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 20032779 SHGRTAJDTZDJGM-UHFFFAOYSA-N 509.650 2.115 0 40 KEAB CCN(c1cc(OC)c(OC)cc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)S(C)(=O)=O 22252182 KVOYVAXUKBXAHG-UHFFFAOYSA-N 505.593 2.176 0 40 KEAB COc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)NCCc1ccccc1 222928725 NWISCUDNFKDEMO-UHFFFAOYSA-N 531.656 2.233 0 40 KEAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 224608082 BJNXXMPSQRINHW-NRFANRHFSA-N 505.637 2.456 0 40 KEAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N([C@H](C)C(=O)O)C(=O)[C@H]54)[C@H]23)cc1OC 249701281 YIGVFLRPDVBPHC-AOSSMOFDSA-N 516.597 2.400 0 40 KEAB Cc1nnsc1CNC(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)COc2ccccc2C(=O)N1 643584529 PQERQFHDWSMBKQ-ILWGZMRPSA-N 572.732 2.448 0 40 KEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O 14128557 VBHNMKYRRNTFKC-HSZRJFAPSA-N 519.480 2.358 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c1 102996252 HWEXVYMHMCWMPZ-UHFFFAOYSA-N 538.692 2.088 0 40 KEAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1Cl 224342328 MPSSOHULLLCTJZ-UHFFFAOYSA-N 502.998 2.268 0 40 KEAB Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncc(CCS(=O)(=O)c3ccccc3)cc12 263620469 GNATXMRYUGEZME-UHFFFAOYSA-N 514.510 2.441 0 40 KEAB in-vitro CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCC(=O)O)c(OC)c3)c2=O)=N1 409029885 BWIHUGYVKPGOOX-JPFXZVHCSA-N 508.552 2.270 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccc(C)cc1 409077510 FRSVQRJKHYFASD-LJJBLSSYSA-N 502.596 2.297 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 409171261 ZRORHJCNAWZIQB-GKKFRVOYSA-N 607.685 2.053 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 8399842 MLYBGHPZIBZTNA-YHHBSCGTSA-N 552.653 2.160 0 40 KEAB O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 15219968 HAFGWGXZZKZHTG-VWLOTQADSA-N 525.652 2.335 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)CC2)cc1 20034914 NAEFZABBVSMZMW-UHFFFAOYSA-N 505.662 2.070 0 40 KEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 59838383 RQVHYTUOILBDEE-RUZDIDTESA-N 561.657 2.053 0 40 KEAB COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)cc1 103677759 CJIALWJKWYIUOU-YDPKVKSESA-N 566.394 2.394 0 40 KEAB CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1NC(=O)C(C)C 224497975 HDTBHXIMDAAKCD-UHFFFAOYSA-N 557.716 2.381 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)CCCOc2ccc(Cl)cc2C)[C@H](OC(C)=O)[C@H]1OC(C)=O 245237496 LBSRZJUTWXANAX-JQZXIOIQSA-N 557.980 2.007 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)CCCOc2ccc(Cl)cc2C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 245237497 LBSRZJUTWXANAX-LSYLRQOFSA-N 557.980 2.007 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2C[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC[C@]6(C)[C@@H](C7=CC(=O)OC7)[C@@H](O)C[C@]6(O)[C@@H]5CC[C@@H]4C3)O[C@H](C)[C@H]2O[C@H]2C[C@H](O)[C@H](O)[C@@H](C)O2)C[C@H](O)[C@@H]1O 253407086 VOZHMAAEBAYRLK-CNPIRKNPSA-N 780.949 2.218 0 40 KEAB biogenic,in-vitro C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704246 LFPWWWRPYMYDNG-MRXNPFEDSA-N 509.606 2.036 0 40 KEAB COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C(=O)NC4CCCCC4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1 1534612854 NXEOQFPSHPNAQP-FBILRYNDSA-N 558.701 2.421 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 224251372 QGKUQCBARZIPDF-UHFFFAOYSA-N 509.650 2.061 0 40 KEAB COc1ccc(C)cc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O 224367383 UYUJNWOBPQRDOK-UHFFFAOYSA-N 539.676 2.139 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)c(F)c1 224379578 XSWACYJJOMZNRO-UHFFFAOYSA-N 531.603 2.101 0 40 KEAB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1 408921683 UVTKLUASLSAYSJ-DEOSSOPVSA-N 557.650 2.484 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2F)CC1)OCO3 6445591 XATHPEPYFMACGT-IQGLISFBSA-N 533.564 2.473 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 8401172 YNJBFRQVLBEXKL-VFUPINBGSA-N 699.790 2.457 0 40 KEAB CN(C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 16043825 GNFAFBFGQBMBJV-SFHVURJKSA-N 500.602 2.460 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1Cl 59838524 NUSUPSUOVOMUDV-UHFFFAOYSA-N 572.105 2.087 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](n2cnc3c(Sc4ccc(C)cc4)nc(N)nc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 65734262 VJKAWCGXGIQVPS-ZBPHCFQXSA-N 515.548 2.192 0 40 KEAB COC(=O)C1=c2s/c(=C\c3ccccc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 1822348 DQKSRVVLQSCGGB-FQEQIMQSSA-N 530.627 2.418 0 40 KEAB O=C(COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 6094774 RXIBCPPLJYJGLV-UHFFFAOYSA-N 526.493 2.258 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 6601369 IMPWOENQKYDQGC-QFIPXVFZSA-N 555.613 2.299 0 40 KEAB CCOC(=O)/C=c1\s/c(=C\c2ccc(-c3ccccc3Cl)o2)c(=O)n1CC(=O)NC[C@H]1CCCO1 12543044 XIPYJNYTPXSBHE-YPBRSTNCSA-N 517.003 2.291 0 40 KEAB C[C@H]1C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)N1c1ccc(Cl)cc1 14108589 PGBNDYGJCZHDHJ-HNNXBMFYSA-N 506.968 2.157 0 40 KEAB COc1ccc(CCNC(=O)COC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)cc1OC 17466001 FGKGAGCSVJHSOI-UHFFFAOYSA-N 528.583 2.404 0 40 KEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 59838566 XHJVZNYFOQXSGS-IBGZPJMESA-N 586.530 2.187 0 40 KEAB COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)cc2O)cc1 70672339 OSPUWYWJNWIARF-UCWKTGAJSA-N 604.561 2.124 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2C)CCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70691642 LIVSBWIOFFHOTO-VRCQNKPTSA-N 546.525 2.052 0 40 KEAB biogenic O=C(Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2oc3ccccc3c21)NCc1ccc2c(c1)OCO2 72332065 YOOKXLOKBLNQOH-UHFFFAOYSA-N 518.526 2.013 0 40 KEAB CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@@]4(C)O 256016141 ZOCKGJZEUVPPPI-SHKMUBMSSA-N 867.854 2.157 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)cc3)c(=O)n2[C@@H]1c1ccccc1OCC 408738607 MLOSRABQPWAUED-OBVMJLIASA-N 521.595 2.061 0 40 KEAB O=C1C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1 643567195 ULHJGPCVTFVWBO-GHPAMLPFSA-N 653.780 2.435 0 40 KEAB COCCN(C(=O)CSc1nc2ccccc2c(=O)n1CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3411634 JZDQRMLMENJPIR-UHFFFAOYSA-N 564.668 2.305 0 40 KEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)C1 12932822 JONWYNZMOVWZQX-KRWDZBQOSA-N 527.690 2.371 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc(F)c(Cl)c3)S(C)(=O)=O)CC2)cc1 13670981 LKGGEKFYLVURJF-UHFFFAOYSA-N 504.005 2.087 0 40 KEAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)C2=O)cc1 14185126 MXTORIUDDLQSHS-XMMPIXPASA-N 518.661 2.346 0 40 KEAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 15913539 TXBHNFMYJCXQJL-AREMUKBSSA-N 522.583 2.266 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 20483736 BGSXSIKPUKIYSS-UHFFFAOYSA-N 527.621 2.296 0 40 KEAB O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N2CCN(c3ccccc3F)CC2)c1=O)NC1CCCC1 101354063 ZNMJMBRUVGRNPA-UHFFFAOYSA-N 547.587 2.456 0 40 KEAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 223402875 WXBBDLQYDHEHKT-HXUWFJFHSA-N 505.593 2.133 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 224457158 PBKNIWJJWQJHTC-UHFFFAOYSA-N 572.105 2.344 0 40 KEAB CCc1nc2ccccc2n1CCC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cc(F)c(O)nc1=O)CO2 257284501 PCXSFWYPCOAVSA-CJFMBICVSA-N 513.570 2.164 0 40 KEAB O=C1C[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1 643566395 DGCITRQASUASHS-STXQHDJLSA-N 569.662 2.040 0 40 KEAB COc1ccccc1-c1nc(SCC(=O)Nc2ccc(NC(C)=O)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 8900156 BQNMDADNZBAHAU-UHFFFAOYSA-N 520.571 2.392 0 40 KEAB CCCCN(C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O 24752253 PEQVAKRZPPOVQU-IBGZPJMESA-N 529.638 2.160 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 60028560 LOROVJVKMCZXNM-JOCHJYFZSA-N 535.688 2.321 0 40 KEAB O=C(c1ccccc1)N1CCN(C[C@H](O)COc2ccc(OC[C@@H](O)CN3CCN(C(=O)c4ccccc4)CC3)cc2)CC1 98050595 RBYBEOWVHIHZLA-KYJUHHDHSA-N 602.732 2.082 0 40 KEAB CC(=O)O[C@H](C(=O)Nc1ccc(F)cc1)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccc(F)cc1 102565020 HYVFXXNGZULTPQ-NEWJYFPISA-N 564.494 2.269 0 40 KEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CC1 103022250 XBIQENMZKNPLHL-UHFFFAOYSA-N 563.698 2.024 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 225405211 YKFVTNLCDZEOKS-UHFFFAOYSA-N 567.686 2.081 0 40 KEAB CC(C)CS(=O)(=O)N1CC(C)(C)CC2(CCN(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)C1 257331966 XVDIHNRAKDVWFK-UHFFFAOYSA-N 584.805 2.446 0 40 KEAB COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1Cl 260888501 OZELDXAZUVAFIL-QGZVFWFLSA-N 560.094 2.483 0 40 KEAB COc1cc([C@H](CC(=O)NCCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2oc(C)cc(=O)c2O)ccc1O 524732169 ZZXPIQVQUQPHFF-GIVPXCGWSA-N 563.607 2.204 0 40 KEAB biogenic CCOc1cc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)ccc1OCCN1CCOCC1 585274397 VXWFBJIUOPXDAK-SVBPBHIXSA-N 510.679 2.164 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)CCCCN)CCCCOC[C@@H](O)[C@H]1O 643551337 CNLRVBVIWSFYSQ-RGSZASNESA-N 539.689 2.189 0 40 KEAB COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CCN(C(C)=O)C2 3007258 FQYRACCDNZWYIO-HUUCEWRRSA-N 535.644 2.490 0 40 KEAB COc1cccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCCC4)c1 3356041 AYVZIFQGADLNKJ-UHFFFAOYSA-N 539.639 2.289 0 40 KEAB CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 3379765 YHTZXXJUOJHXBJ-GOSISDBHSA-N 528.583 2.074 0 40 KEAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 6196996 YGILVSXDJCFLJU-HYBUGGRVSA-N 533.589 2.233 0 40 KEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)ccc1C 13139835 KZWYULNKFJCAAD-UHFFFAOYSA-N 525.649 2.307 0 40 KEAB Cc1ccc([C@H](C(=O)NCc2ccco2)N(CCN2CCOCC2)C(=O)CNC(=O)c2ccco2)cc1 20150305 MHXUGRJLEWAXKE-RUZDIDTESA-N 508.575 2.129 0 40 KEAB CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 59838012 KZIRCSQPLDAUJJ-UHFFFAOYSA-N 550.486 2.341 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(=O)O)oc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 85867825 ZUKVGFWPSCEHIY-WMGDANRSSA-N 670.576 2.391 0 40 KEAB O=C(NC[C@H]1CCCO1)[C@@H](c1ccco1)N(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 100341402 NFPIMTLVORSVDH-NIYFSFCBSA-N 581.603 2.218 0 40 KEAB CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O 123353010 SOPZOCCINHAAOP-KJMYTHCSSA-N 550.689 2.081 0 40 KEAB COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc(C(=O)OC)c1 408584661 SQXIXMGYJCLNBF-UHFFFAOYSA-N 520.560 2.316 0 40 KEAB CC(=O)Oc1ccc2c(C)c(CC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c(=O)oc2c1C 9410717 GVJXRBKIUOBWIV-DEOSSOPVSA-N 520.538 2.388 0 40 KEAB CCN(C(=O)COC(=O)COc1ccc(Cl)c(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32666497 CQOHOSUUDSEXLI-UHFFFAOYSA-N 500.939 2.104 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[C@@H]2SC1 97945786 QMEVPPCITPMHCH-ACJLOTCBSA-N 536.916 2.125 0 40 KEAB O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 97980060 KAVVSXJHQHHAQT-FPYGCLRLSA-N 581.594 2.341 0 40 KEAB Cc1nn(-c2ncnc3nc[nH]c23)c2c1[C@]1(CC(O)=N2)C(=O)N(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c2ccccc21 101363596 SRJHDJSIWCMJSQ-RBSBEOHCSA-N 617.692 2.143 0 40 KEAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)C1 102920318 WZVOYEOYSQULTA-GOSISDBHSA-N 538.070 2.483 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222699610 IBRKUYWYGKIFIK-FQEVSTJZSA-N 503.621 2.030 0 40 KEAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224617693 RIZALTSLJLZKEA-NRFANRHFSA-N 503.621 2.210 0 40 KEAB COc1ccccc1N(CCCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1)S(C)(=O)=O 225839218 OZGRGKYNOVWBEK-UHFFFAOYSA-N 538.692 2.125 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O 643567337 CORRVZDMLISLBX-UIOOFZCWSA-N 609.079 2.308 0 40 KEAB N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3 2037829073 YSOFKBPOCFHDNJ-RDPOUHODSA-N 574.722 2.470 0 40 KEAB CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)[C@]12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12 9076262 SVPAPNDATQNETG-MHZLTWQESA-N 506.511 2.225 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cc1 41077469 LPOQRWMZRWJISX-UHFFFAOYSA-N 515.592 2.472 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222484915 SUAVFMLPMIFPON-IBGZPJMESA-N 503.621 2.476 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2)cc1OC 224215833 RAPJYUIITKSURT-UHFFFAOYSA-N 577.681 2.345 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 253587955 AGOYDEPGAOXOCK-BQDSRUJPSA-N 747.964 2.440 0 40 KEAB in-vitro COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)CC1=O 408667769 KQTXWBLADATVCO-GOSISDBHSA-N 511.531 2.183 0 40 KEAB O=C(CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O)Nc1ccc(N2CCOCC2)cc1 409141460 OCIUNISWHHRHQU-JJIBRWJFSA-N 566.636 2.436 0 40 KEAB COC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OC 409230563 FMCZQNPDQTXZKY-CXUHLZMHSA-N 503.895 2.440 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 2049472 QDRSIQDHEDWBCQ-NYIUWGNGSA-N 538.578 2.279 0 40 KEAB COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H]1CN(C(=O)NC(C)C)CCN1C(=O)NC1CCCCC1 4277813 SDSNBUMBEPBKOC-GOTSBHOMSA-N 531.654 2.042 0 40 KEAB biogenic,in-vitro CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)COc1ccccc1C 12540795 AYECCUBBQCWSDW-UHFFFAOYSA-N 519.620 2.423 0 40 KEAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 20483764 QGRMWJPIMMZGOJ-UHFFFAOYSA-N 505.662 2.070 0 40 KEAB COc1ccc([C@H](CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)N2CCOCC2)cc1 25764294 XBKFENNYPADPRD-FQEVSTJZSA-N 502.618 2.110 0 40 KEAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1 38140333 WSYWNOVAOBJIST-ZEQRLZLVSA-N 561.726 2.446 0 40 KEAB biogenic COc1nccnc1NS(=O)(=O)c1ccc(NC(=S)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 101188517 IHIAANBBPXSEGT-HZPDHXFCSA-N 512.617 2.264 0 40 KEAB biogenic O=C(COC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 103054595 UPITWSRLTZPRRI-UHFFFAOYSA-N 563.588 2.299 0 40 KEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCCSc1nc(-c2ccccc2)n[nH]1 222831275 RIVIKVPZLSAUED-UHFFFAOYSA-N 538.051 2.433 0 40 KEAB C[C@H](C(=O)NCCO)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222874430 XVWLMYXBLCPCNK-LJQANCHMSA-N 505.612 2.069 0 40 KEAB C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 222891651 AHVXICMMLJSCOD-NRFANRHFSA-N 560.692 2.065 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 225451804 OHPCAMUMYFKTEI-HNNXBMFYSA-N 512.426 2.387 0 40 KEAB O=S1(=O)C[C@@H]2[C@@H](C1)N(S(=O)(=O)c1ccc3ccccc3c1)[C@H]1CS(=O)(=O)C[C@H]1N2S(=O)(=O)c1ccc2ccccc2c1 575424303 UPTHABTXESAVGW-HPQIJTKRSA-N 646.790 2.019 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CCC(=O)N(Cc2ccccc2)CC(=O)N(C)CC(=O)N1 643571755 HWPFHSWRDCDUIM-JDXGNMNLSA-N 671.799 2.125 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 6089369 YUNGXRZJVIMWHW-QFIPXVFZSA-N 532.582 2.440 0 40 KEAB CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 6135075 XNJISPIGUVSARX-VABKMULXSA-N 522.602 2.058 0 40 KEAB COC(=O)c1ccc2c(=O)n(CCCCCC(=O)N3CCN(c4ccccc4OC)CC3)c(=O)[nH]c2c1 9529813 LOAIMLWXTWKTRP-UHFFFAOYSA-N 508.575 2.394 0 40 KEAB CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(Cl)cccc2Cl)CC1 20517461 AQTILDOAMYRUFT-UHFFFAOYSA-N 509.394 2.063 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O 40164319 XSOLDPYUICCHJX-JMKVYJMDSA-N 515.713 2.368 0 40 KEAB endogenous,in-man CCCn1cc(C(=O)N2CCC(=O)CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1 67337060 MJDVSGSGRVQUGM-UHFFFAOYSA-N 503.625 2.008 0 40 KEAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2c(OC)cccc2OC)C1 139062615 UUCUOEAITOJXNX-ZDUSSCGKSA-N 505.911 2.041 0 40 KEAB COC(=O)COc1ccc([C@@H](CC(=O)OC)c2oc(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1OC 257198998 OMNSNIJQRUIFAM-CZTZKLFOSA-N 594.617 2.382 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3cccc(C)c3)CC2)C[C@@](O)(COc2cccc(F)c2)C1 585284365 XICPUEZBJUUBRC-NDEPHWFRSA-N 515.626 2.066 0 40 KEAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(NS(C)(=O)=O)cc2)n1-c1ccccc1OC 6088632 JFVBIINNWQDDAP-UHFFFAOYSA-N 519.605 2.086 0 40 KEAB CCOC(=O)c1ccc(N2C(=O)C=C(NC3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)C2=O)cc1 8771779 WEYRJDHPWMYGAT-UHFFFAOYSA-N 513.572 2.072 0 40 KEAB COc1cc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)C[C@@H]2CCCO2)ccc1-n1cnnn1 12635230 QPRNUHWGVKXIGQ-SFHVURJKSA-N 500.581 2.096 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20083419 RZVLVEFZXZXPTJ-AREMUKBSSA-N 531.617 2.414 0 40 KEAB Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 20638745 NSUHZOSRVWATPF-QFIPXVFZSA-N 517.552 2.492 0 40 KEAB CCn1cc(C(=O)N2CCCN(C)CC2)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1 67338049 OZINAVLCDFRRES-UHFFFAOYSA-N 509.076 2.153 0 40 KEAB CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@H]2ON=C([C@@]3(C)NC(=O)N(c4ccccc4)N3)[C@H]2C1=O 100333425 IACLZCGNMWEOQR-YRVVQQKDSA-N 523.859 2.295 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@H](C)n4cc(Br)c(C)n4)[C@H]3SC2)s1 100991937 IZZUBCBIORHPDT-FUEZOXIYSA-N 559.493 2.206 0 40 KEAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCCN(C[C@@H](O)COc2ccc(C(C)=O)cc2OC)CC1 101104664 XQBHOCOOEORSOP-PLQXJYEYSA-N 544.645 2.296 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2)cc1OC 222574289 MWNUDZQEODSQDY-QGZVFWFLSA-N 525.649 2.302 0 40 KEAB Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 224365426 SNYNRBUSQNXKSC-UHFFFAOYSA-N 509.650 2.131 0 40 KEAB O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C(=O)c1cnccn1)CC2=O)NCCN1CCCC1 253401921 NSFWDQKJXZFOMW-VJQMVFROSA-N 546.672 2.134 0 40 KEAB CC(C)[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)CCN2CCCC2=O)CC(=O)N1 643556063 DYGQLTYQAWGMDO-HXUWFJFHSA-N 507.031 2.224 0 40 KEAB CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCN(C)C1=O 643565945 MJSBTDDSRUIKNC-CHZKFRDHSA-N 522.646 2.306 0 40 KEAB CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)CN(C)Cc2ccccc2Cl)CCCCOC[C@@H](O)[C@H]1O 643586735 ZZISVVDMZQKXED-GTVIQNQPSA-N 556.144 2.411 0 40 KEAB NC(=O)CC[C@H](NC(=O)c1cc(Cl)ccc1OC[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 2037879727 MORUGDBJYHJGTK-VJTSUQJLSA-N 581.069 2.465 0 40 KEAB COCCCNC(=O)Cn1c(=O)n(CC2CCC(C(=O)NCCc3ccccc3)CC2)c(=O)c2ccccc21 9617226 ZECPTFLWINKSNK-UHFFFAOYSA-N 534.657 2.481 0 40 KEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)ccc1C 13000484 NGWAITGJUHKEFT-UHFFFAOYSA-N 512.588 2.426 0 40 KEAB CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70705625 YVVVWZQDFLNPLG-VABKMULXSA-N 554.669 2.327 0 40 KEAB biogenic O=C(NCCN1CCOCC1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 102938363 BXOKIIDTFCESMH-UHFFFAOYSA-N 556.713 2.473 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 225461641 ZBTPGZWEZGVRPZ-OAHLLOKOSA-N 529.432 2.364 0 40 KEAB O=C1CN(Cc2cccnc2)Cc2ccccc2OC/C=C\[C@H]2CN1CC[C@H]2CC(=O)N1CC[C@@H](O)C1 253398694 HIKHHWJIOPAUFL-RDIZGEPBSA-N 504.631 2.480 0 40 KEAB COc1ccccc1OCC(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 585284377 KOBTVFROGJIJHA-SANMLTNESA-N 502.539 2.139 0 40 KEAB CCn1c(N)c(C(=O)COC(=O)/C=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c(=O)[nH]c1=O 13063092 OITVWKOAMZULOE-CMDGGOBGSA-N 506.346 2.438 0 40 KEAB Cc1cc2cc(CN(CCN3CCOCC3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2cc1Cl 19823358 HFBSWTCNAISHNG-UHFFFAOYSA-N 522.115 2.221 0 40 KEAB CCOC(=O)CN1C(=O)[C@@]2(N[C@@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c2ccccc21 100166544 XWLRTNZHBAPKED-HWRXOPEZSA-N 507.612 2.318 0 40 KEAB CCOC(=O)C1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1 102920341 LFPZYRXRPWFWRG-UHFFFAOYSA-N 538.070 2.483 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)C2)cc1OC 408557239 FVKSLPZYDOCRBB-IBGZPJMESA-N 503.621 2.462 0 40 KEAB COc1cc([C@H](CC(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)c2oc(C)cc(=O)c2O)ccc1O 524730147 XEZHBYABOQBERB-SFHVURJKSA-N 508.593 2.209 0 40 KEAB biogenic COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CNCCc2ccccn2)c1 643550553 OKGXESYZCZAXKO-FWLJPKAVSA-N 628.811 2.460 0 40 KEAB COCC(=O)N1CCCN(C2CCOCC2)CCN(C(=O)CS(=O)(=O)c2ccc(OC)cc2)Cc2ccccc21 643565529 IUZCLQSRDOKYLJ-UHFFFAOYSA-N 573.712 2.362 0 40 KEAB CC(C)[C@H]1NC(=O)C[C@@H](C(=O)N(C)CCOc2ccccc2)NC(=O)c2ccccc2OC[C@@H]2CCCN2C1=O 643578060 APYWGIIBEMZTTO-RCSBWOJUSA-N 550.656 2.237 0 40 KEAB Cc1cnc(C(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cn1 643579227 WWTACMSUZMKREX-LOSJGSFVSA-N 510.635 2.349 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 17654513 WBWWGRHZICKQGZ-HGVCTONRSA-N 515.713 2.368 0 40 KEAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 32910975 SXMFGUUXFLZSQZ-KOEQRZSOSA-N 521.595 2.393 0 40 KEAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59852148 YKPYKXTXDPBWAU-UHFFFAOYSA-N 572.105 2.231 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(=O)O)oc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 85867831 ZUKVGFWPSCEHIY-PWNAAUBDSA-N 670.576 2.391 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2OC)cc1 224447883 NMOXQKSEWPGJPQ-UHFFFAOYSA-N 619.718 2.115 0 40 KEAB COc1ccc(-c2noc(CN(C)C(=O)CCc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)n2)cc1 224531849 KEZKJRKTZSSASU-UHFFFAOYSA-N 530.603 2.366 0 40 KEAB CN1CCC(N2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1 514287384 QMRWDPHKUADPCD-JGDRUYDSSA-N 583.774 2.275 0 40 KEAB CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OCCNC1=O 643567936 FICQAQJXRXEIAS-GMCHKSTQSA-N 688.826 2.082 0 40 KEAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C 13001999 PSXIXBLSNVWFNR-UHFFFAOYSA-N 509.563 2.161 0 40 KEAB CCOC(=O)[C@H]1C(c2ccc(OC)cc2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F 13408071 VHFJTWKDAGBIQF-VSWQYFQMSA-N 503.392 2.242 0 40 KEAB CCOc1ccc(OCCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 32972041 IRODMQDHVMJWIS-UHFFFAOYSA-N 517.627 2.090 0 40 KEAB O=C(CCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 97948586 BGLWVNMQAOMFIE-UHFFFAOYSA-N 582.624 2.226 0 40 KEAB O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)N1CCN(c2ccccc2)CC1 103082219 CFJHRQVFXOMLTQ-UHFFFAOYSA-N 529.644 2.198 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](n2cnc3c(Sc4ccc(C)cc4)nc(N)nc32)[C@H](OC(C)=O)[C@H]1OC(C)=O 248042674 VJKAWCGXGIQVPS-UYZIEWPDSA-N 515.548 2.192 0 40 KEAB CC(=O)N1CCC(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCN(C)CC3)C2)CC1 257293347 QPCKNNPWNDJEON-URXFXBBRSA-N 549.510 2.468 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)/C=C/CN(C)C)CCCCOC[C@@H](O)[C@H]1O 643586447 CYMLLMXCIQWBHD-IZZGUEBESA-N 551.700 2.178 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC 2177038 YJRVQDXLVIHSPY-GLSAMTQTSA-N 581.647 2.078 0 40 KEAB COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)N3CCOCC3)c2)cc1Cl 3264663 DAVLSZRFNVRPHZ-UHFFFAOYSA-N 512.968 2.198 0 40 KEAB COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N 6905004 WTDQUAUIVFQHLL-GOSISDBHSA-N 503.606 2.041 0 40 KEAB COc1cc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OC 102914140 NEVIQTGADBDCDW-AWQFTUOYSA-N 543.554 2.024 0 40 KEAB C[C@H]1O[C@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)[C@@H](O)C[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253498693 LKRDZKPBAOKJBT-AQRBJOSXSA-N 780.949 2.218 0 40 KEAB biogenic CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](O[C@H](C)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253535125 OWMZHUQIGVVXJE-MXBYKBGJSA-N 959.904 2.003 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCN(C)C)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 585281132 WNPKDYHZGKEZEF-SANMLTNESA-N 507.578 2.006 0 40 KEAB CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC1=O 643566246 VULZXOARAWCMNK-WIOPSUGQSA-N 540.636 2.448 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCN(C)C1=O 643569410 UGGZULGSYOAFRX-SVBPBHIXSA-N 605.736 2.386 0 40 KEAB CC(C)NC(=O)N1CCC2(CCOc3cc(-c4ccccc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548890227 NJIKGNOLKKXBKB-PKTZIBPZSA-N 556.685 2.329 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 2063867 FVHQYDTXFYXEAA-VFJWVMJUSA-N 517.563 2.070 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19972836 ZAVZASSMYTXLNH-RUZDIDTESA-N 517.590 2.105 0 40 KEAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)c1 103067771 WXIKHAIHENXSPU-UHFFFAOYSA-N 540.019 2.204 0 40 KEAB COc1ccc(C(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1S(=O)(=O)N1CCOCC1 222919544 LZYUIQBVRMCHNK-AREMUKBSSA-N 565.648 2.483 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@H](O)C[C@@H](O[C@@H]3[C@H](O)C[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)[C@H](O)C[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@@H](O)[C@H]1O 253629639 LKRDZKPBAOKJBT-PCARUOMQSA-N 780.949 2.218 0 40 KEAB COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1OC 260888473 ORGCDMGDOYXZAJ-LJQANCHMSA-N 569.702 2.228 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)Cc2ccccc2)cc1 59837507 XJOLTVJNTKVTOM-UHFFFAOYSA-N 531.656 2.453 0 40 KEAB COc1ccc(/C=c2/sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)cc1O 96913804 YVKZVUFVGGVZBU-YDLLTVCASA-N 527.606 2.333 0 40 KEAB CCOC(=O)C1=C(COC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)NC(=O)N[C@H]1C 103135733 ANZYFZMKSXNTQN-ZDUSSCGKSA-N 528.543 2.216 0 40 KEAB COc1cc(N(C(C)=O)[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c(OC)c2c(C)cc(C)nc12 103403253 WUWCIEXADCZGCN-LEZVGZISSA-N 604.609 2.305 0 40 KEAB biogenic,in-vitro CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222776504 XNSZEQCOSIQHRH-SFHVURJKSA-N 524.039 2.293 0 40 KEAB Cc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1C 224458018 NZLBODKKXDAEDH-UHFFFAOYSA-N 553.703 2.066 0 40 KEAB CN(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccncc1)S(C)(=O)=O 260719821 NCMRSRWCSXLKEE-XMMPIXPASA-N 512.607 2.368 0 40 KEAB O=C1NC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccncc1F)CC2 1548890547 SGYYWJGSNVRRMV-NOZRDPDXSA-N 588.702 2.172 0 40 KEAB N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3 2037829072 YSOFKBPOCFHDNJ-QOEIGGFQSA-N 574.722 2.470 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](C)n4cc(Cl)c(C)n4)[C@@H]3SC2)s1 12406510 OMERHHWMZXXOBP-CVKUXFQVSA-N 515.042 2.097 0 40 KEAB O=C(CN(Cc1ccco1)C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NCc1ccccc1 12710594 FCZMQCOMMJHVHD-BHVANESWSA-N 511.556 2.041 0 40 KEAB COC(=O)c1ccc2c(=O)n(CC(=O)NCCCN3CCN(c4cc(C)ccc4C)CC3)c(S)nc2c1 32959227 LNOATTIBRFMIEL-UHFFFAOYSA-N 523.659 2.417 0 40 KEAB CC(C)(C)OC(=O)NC1CCN(C(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)CC1 72329723 NRGVVNMGWCEACE-UHFFFAOYSA-N 526.550 2.308 0 40 KEAB O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2 100294550 OOHRHZKKFIFDBW-LDLOPFEMSA-N 557.625 2.356 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1 225478000 FXXOIFIZEGZCNE-UHFFFAOYSA-N 505.662 2.237 0 40 KEAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)CC1=O 408652222 FXMNYJVKBGKUGG-AWEZNQCLSA-N 504.337 2.441 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1 585279101 CNSNVEYPZFGRIA-WJOKGBTCSA-N 582.698 2.195 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643568783 FWRZKDRLELZZMQ-ZEQRLZLVSA-N 556.635 2.281 0 40 KEAB CC(C)[C@H]1NC(=O)C2(CCCC2)NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643572415 BNWNQMCUCBVYTP-RSRUXJMGSA-N 619.763 2.391 0 40 KEAB CCOc1ccc(-n2c(S)c(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)[n+]3cc(C(N)=O)ccc23)cc1 3342797 COORZFOJHWACCQ-UHFFFAOYSA-O 582.684 2.276 0 40 KEAB CC(=O)N[C@@H](Cc1cccn1C)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 13564863 VMXMEGQLKLGNGP-FQEVSTJZSA-N 500.543 2.061 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 95669889 WBWWGRHZICKQGZ-ZSJLBNHVSA-N 515.713 2.368 0 40 KEAB in-vitro COC(=O)Cn1c(=O)c(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)c(N)n(Cc2ccccc2)c1=O 103110412 BHEOCFICNITGMS-UHFFFAOYSA-N 541.560 2.372 0 40 KEAB O=C(COC(=O)Cc1c(F)cccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 103111273 GUMNSBINCKMLRJ-UHFFFAOYSA-N 556.012 2.061 0 40 KEAB CNCC(=O)Nc1ccc(Cl)cc1OCCc1cc([C@@H]2CCN(C(=O)c3ccc(N)nc3)C2)nn1C 257250805 JOBRATOZYYZGTH-QGZVFWFLSA-N 512.014 2.460 0 40 KEAB Cc1cn(C[C@]2(O)CC[C@H](N(C)C(=O)CCCn3c(C(F)(F)F)nc4ccccc43)C[C@H]2O)c(=O)nc1O 257252757 JWAWYPZZFQLSOA-LSRZYVKLSA-N 537.539 2.209 0 40 KEAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCC(N)=O 409200875 SPZKXYQMIMQYOS-HMAPJEAMSA-N 540.598 2.461 0 40 KEAB CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)CCCCNC1=O 643569091 LFAGSMGJLHKTKU-UBJFJLHQSA-N 692.858 2.038 0 40 KEAB Cn1cc(CN2CCC3(CCOc4cc(-c5ccccc5)ccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)cn1 1548890631 UONWZZCJJJFKJE-RPBOFIJWSA-N 565.696 2.145 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCOCCOCCN(S(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1 4256617 HONQQHMURQJAOM-UHFFFAOYSA-N 526.677 2.048 0 40 KEAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)c1 12563465 UUJCBVKRUNQNOE-UHFFFAOYSA-N 502.574 2.089 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)c(=O)[nH]c1=O 12889419 CDLOGWFLQQPFGE-UHFFFAOYSA-N 519.558 2.008 0 40 KEAB COc1ccc(-c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c(S(=O)(=O)NC[C@H]2CCCO2)c1 95946466 DWRAQOQYXWUFMX-WOJBJXKFSA-N 510.634 2.277 0 40 KEAB CO[C@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H]1O 118923235 MABTYQWWFMMYTE-PCJAFQOTSA-N 550.689 2.225 0 40 KEAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCO)Cc1ccccc1 260714172 BBJCPWLPPSCJKH-AREMUKBSSA-N 541.645 2.336 0 40 KEAB COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)c1 408655137 KXRKIIGXSKVVMU-AWEZNQCLSA-N 520.336 2.142 0 40 KEAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)cn(CC(=O)NCCCOC)c12 409146364 SHZJKVHDUOKFSZ-STZFKDTASA-N 528.631 2.252 0 40 KEAB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3c(I)cnn3C)c2C(N)=O)C1 2745636 NVLUHBUDSSFHCZ-SSDOTTSWSA-N 503.391 2.437 0 40 KEAB COc1cccc(N2CCN([C@H](c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C[C@@H]3CCCO3)CC2)c1 6176953 KTLCUOHYNOTDNP-HFZDXXHNSA-N 545.600 2.343 0 40 KEAB Cn1c(=O)c2c(ncn2CC(=O)O[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n(C)c1=O 15181739 KLMSCPWVNGQVFO-LJQANCHMSA-N 515.448 2.376 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 64704937 QDRSIQDHEDWBCQ-YXFINDDBSA-N 538.578 2.279 0 40 KEAB CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)N1CCN(c2ccc(F)cc2)CC1 64775071 HWNDJEQNRNPWIW-UHFFFAOYSA-N 504.566 2.224 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 216128396 KYTPVSRVCRHYCI-UHFFFAOYSA-N 555.650 2.036 0 40 KEAB COc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1 224435986 SLCNHHILMQWKDV-UHFFFAOYSA-N 589.692 2.107 0 40 KEAB Cc1ccccc1N(CCCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1)S(C)(=O)=O 224936096 LNGFWUPPDQHNNC-UHFFFAOYSA-N 522.693 2.424 0 40 KEAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225059565 XBLXFXAIBBSKCD-IBGZPJMESA-N 503.621 2.210 0 40 KEAB COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1OC 408663503 YLXCERLRZALUDS-AWEZNQCLSA-N 509.437 2.398 0 40 KEAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(N([C@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cc(C)ccc2OC)cc1 575421592 KCWJNAJLYRCMFK-VXKWHMMOSA-N 610.732 2.475 0 40 KEAB CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)O1 1615526452 OSDSZHQNFBBDRR-ZVSLEVDHSA-N 623.836 2.342 0 40 KEAB biogenic O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(Cl)c1 19818632 AYXKYDJWGGNLGQ-NRFANRHFSA-N 504.418 2.471 0 40 KEAB Cc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2cc1C 19940840 ZCKPGLCLCSMFIA-GBXCKJPGSA-N 517.590 2.451 0 40 KEAB CCCN(C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38139409 YTZPUEVOMMMXOX-UHFFFAOYSA-N 543.580 2.037 0 40 KEAB COc1cc(/C=c2/sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)ccc1O 96913837 QEUQPXVRXITPMN-CTFVLHKCSA-N 527.606 2.333 0 40 KEAB COc1cc(OC)nc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCc3ccc4c(c3)OCO4)cc2)n1 199419126 YUVLGBFMHWMLNE-UHFFFAOYSA-N 543.558 2.058 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 222608897 MEGQCYTUGBHCRJ-CQSZACIVSA-N 547.390 2.360 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222853874 WKBQSPSUWUJIMF-IBGZPJMESA-N 521.611 2.169 0 40 KEAB Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1N(C)S(C)(=O)=O 224414151 CRRHOPLCTIVRIV-UHFFFAOYSA-N 509.650 2.374 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1 225518336 YTBWAJVLNMILAD-LJQANCHMSA-N 507.634 2.055 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCC(=O)O)C(=O)[C@@H]54)[C@H]23)cc(OC)c1O 245225829 ROLCDTGTILUQPA-GKMRSWGSSA-N 532.596 2.107 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408837782 NLNCKPRXPJUURN-MTCPJELPSA-N 508.552 2.270 0 40 KEAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)OC)c(OC)c4)c(=O)n32)cc1OCC 408936709 PQIFQNTUCWSHIO-ZFWDJNJRSA-N 582.631 2.376 0 40 KEAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCCNC1=O 643565075 ANRQGBAPHDJRBP-IGKIAQTJSA-N 582.673 2.218 0 40 KEAB COc1cccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1 643579739 CMWICLLBPWWMGI-WUFINQPMSA-N 602.688 2.347 0 40 KEAB COC(=O)[C@@H]1Cc2c[nH]c3cccc(c23)N=CC(=O)N[C@H](C(=O)OC)Cc2c[nH]c3cccc(c23)N=CC(=O)N1 1076482240 NYMSKNZKHDUWBE-VXKWHMMOSA-N 542.552 2.168 0 40 KEAB CC1=NNC(=O)[C@@H]1CCC(=O)N1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3 2037879506 AHKIYCWSQJYCPJ-BKKFENPESA-N 563.699 2.096 0 40 KEAB CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 13165215 SLZRTXIVFIGRNX-UHFFFAOYSA-N 502.637 2.340 0 40 KEAB O=C([C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 19866358 ZUBYIDYVRWJASI-FQEVSTJZSA-N 526.080 2.415 0 40 KEAB NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2Cl)cc1 20032883 CAVFFMBGMKPCAU-UHFFFAOYSA-N 509.993 2.483 0 40 KEAB COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)cc1 20609929 BQGBCXKIRZVIBC-IGKIAQTJSA-N 516.598 2.362 0 40 KEAB biogenic Cc1nnc(SCC2=C(C(=O)NCC(C)C)N3C(=O)[C@H](NC(=O)c4nn(C)c(C)c4Br)[C@@H]3SC2)s1 97948736 FERIOYUHJMCVNV-YWZLYKJASA-N 600.590 2.483 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 100955104 GAXSDVMYRKMXAR-MMFLVBLUSA-N 544.509 2.085 0 40 KEAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@H]23)cc(OC)c1O 101175175 QCROTELSISKDDD-AJOYJEEPSA-N 546.623 2.497 0 40 KEAB CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O 169358495 ZOCKGJZEUVPPPI-QSNSFFMXSA-N 867.854 2.157 0 40 KEAB biogenic,in-vitro CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 223388997 CAKWMVBORUNBJD-HXUWFJFHSA-N 507.609 2.032 0 40 KEAB CC1=C[C@H]2O[C@H]3C[C@H]4OC(=O)C=CC=C[C@H]([C@H](C)O)OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@@]4(C)[C@@]31CO1 299888540 NSFWWJIQIKBZMJ-VHMOXBJLSA-N 532.630 2.393 0 40 KEAB Cc1nnc(SCCn2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1 9392043 PPRWYQCXMSGLMQ-UHFFFAOYSA-N 519.056 2.356 0 40 KEAB CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)COc2ccc(F)cc2Cl)CC1 12545324 HBXIERPNCKYWHN-UHFFFAOYSA-N 527.018 2.269 0 40 KEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O 14675668 YWXQPAWWQYHJPU-HSZRJFAPSA-N 522.986 2.169 0 40 KEAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 19941307 IBMHLTYGHNAFLR-WMZHIEFXSA-N 503.563 2.142 0 40 KEAB CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)c1 20105231 DMMHWCXKEQHOPE-UHFFFAOYSA-N 517.589 2.193 0 40 KEAB Cc1ccc(Cn2c(=O)c3ccc(C(=O)NCC(C)C)cc3n3c(=O)n(CC(=O)NC(C)C)nc23)cc1 64581291 KTFBODFCPNGYGZ-UHFFFAOYSA-N 504.591 2.078 0 40 KEAB CCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)CC1 67338388 VWMXXROYIRCLEL-UHFFFAOYSA-N 502.685 2.199 0 40 KEAB CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CC(=O)O)C(=O)[C@H]45)[C@H]23)ccc1O 100922665 HUJWUIISPQBVIH-DMHJHBPNSA-N 502.570 2.099 0 40 KEAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1S(=O)(=O)N1CCOCC1 140022732 QYTRUKBGLXSDEN-UHFFFAOYSA-N 551.687 2.205 0 40 KEAB Cc1cc(C)cc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1 224365676 RKQYFBUXCAJXFK-UHFFFAOYSA-N 523.677 2.439 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(OC(C)=O)cc2)CC3=O)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 248053134 XTFVLYRMZHVXMC-BVJZTHAHSA-N 874.798 2.479 0 40 KEAB biogenic,in-vitro COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3C)CC2=O)cc1OC 408650029 AFXKDQUDTUSEMM-HNNXBMFYSA-N 534.363 2.450 0 40 KEAB COc1c2c(c(S(=O)(=O)N3CCN(C(=O)COc4ccc(OC(F)(F)F)cc4)CC3)c3c1OCO3)CCN(C)C2 524734907 UQJZATSWBKOKMI-UHFFFAOYSA-N 587.573 2.222 0 40 KEAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 2152606 WYVWTHZRFCANJT-VXSCBNMQSA-N 508.619 2.435 0 40 KEAB biogenic O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)NCCN1C(=O)CSC1=O 3309126 ITJOPPPLQOYOID-UHFFFAOYSA-N 512.617 2.164 0 40 KEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C(C)C)cc1 3331604 FNBWJWKCPSZYTG-SFHVURJKSA-N 521.539 2.472 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC 6546926 WGYBLJUNFBWSQS-QFIPXVFZSA-N 550.597 2.382 0 40 KEAB O=C(Cn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccccc1Cl 9598876 RQPZBMNMYRJXRQ-UHFFFAOYSA-N 507.959 2.251 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 12877218 QARONGWDQTZCCJ-MRXNPFEDSA-N 503.577 2.489 0 40 KEAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)CC1 13009755 LQFKCYHQOFJDDS-UHFFFAOYSA-N 527.690 2.371 0 40 KEAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 20032381 WVMDHNHOWWLEKK-UHFFFAOYSA-N 521.661 2.341 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 225086135 VDFWVBMFAUWRAE-UHFFFAOYSA-N 504.030 2.436 0 40 KEAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 408603567 KYAYXGDXFXSCJP-IBGZPJMESA-N 503.621 2.461 0 40 KEAB CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 605851694 MDPXIRWVLJUABC-NXNUSHSSSA-N 652.866 2.261 0 40 KEAB CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NC[C@@H](O)c2ccccc2)NC(=O)c2ccccc2OC[C@H](C(C)C)NC1=O 643565435 ZEROKHNZGRTCSL-BKKFENPESA-N 566.699 2.479 0 40 KEAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCN(C)C1=O 643565983 SZQXUMDUXCSJEV-IGKIAQTJSA-N 582.673 2.170 0 40 KEAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(C)cc2OC)CC(=O)N[C@@H](CC(C)C)C1=O 643578624 AVBQZIXOWCEYES-ZEQRLZLVSA-N 582.698 2.459 0 40 KEAB CCN(CC)CCS(=O)(=O)[C@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@@H](O)C=C(C)C=CCNC(=O)C=C[C@H](C)[C@H](C(C)C)OC(=O)[C@H]12 1529051587 SUYRLXYYZQTJHF-QNFQAIFYSA-N 690.860 2.269 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 12364403 HRCJALSTULENBQ-LJQANCHMSA-N 502.446 2.116 0 40 KEAB COc1cc(C(=O)N2CCC(NC(=O)[C@H](Cc3ccc(F)cc3)NC(C)=O)CC2)cc(OC)c1OC 13084847 OOAYWPWRGZUAAS-NRFANRHFSA-N 501.555 2.320 0 40 KEAB COC(=O)c1cc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[nH]c(=O)c32)cc(C(=O)OC)c1 40399853 OKZJBXJJLLTIDT-KRWDZBQOSA-N 521.486 2.160 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 60028498 DWZHVTCIQASSFI-UHFFFAOYSA-N 537.660 2.284 0 40 KEAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C(=O)O)[C@H](C)O 70699983 QVWRFGLEXKHDDK-XOLBSIGLSA-N 532.597 2.119 0 40 KEAB biogenic COc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5c(F)cccc5Cl)c4n3)CC2)ccc1-n1cnnn1 100471776 WIPFLFUABMPQGJ-UHFFFAOYSA-N 601.024 2.320 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2cccc3ccccc23)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 101462274 QMXHRZRGBPKKEW-VHJOFQCFSA-N 532.571 2.209 0 40 KEAB CCOC(=O)C1=C(COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)NC(=O)N[C@@H]1c1ccco1 102220296 RAGWQUBRCQJUTR-OAQYLSRUSA-N 533.559 2.101 0 40 KEAB CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@@H]3C2)[C@H]1O 118917652 SOPZOCCINHAAOP-JDBJUUJBSA-N 550.689 2.081 0 40 KEAB COC[C@@H]1CCCN1CC(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)c2ccccc2F)C[C@H]1CC(C)C 643586679 NBJLSIQDZLDKBF-HBFBXYEUSA-N 595.753 2.169 0 40 KEAB CCS[C@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(=S)[nH]cnc21 5665561 IUQZNKFOBHQCTI-SLWLNILOSA-N 586.645 2.030 0 40 KEAB COCCn1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccccc2OC)CC1 6136280 HHUCXEIUWPSCDD-VWLOTQADSA-N 535.605 2.098 0 40 KEAB COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)c1 12790224 FVMBSVXAXUGVBU-AWEZNQCLSA-N 512.009 2.074 0 40 KEAB O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 20110247 KXEIMFHGWGGVDI-UHFFFAOYSA-N 526.080 2.415 0 40 KEAB COCCN(C(=O)COC(=O)/C=C/c1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23080534 CWYBGYJFRNQMSG-VAWYXSNFSA-N 512.950 2.057 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](CCSC)C(=O)O 70705311 RAFSARHBQPWJQX-DWJNZPNVSA-N 554.669 2.327 0 40 KEAB biogenic CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 224249488 IFARFJHCLCXNMA-UHFFFAOYSA-N 518.057 2.332 0 40 KEAB CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 253389241 CJHYKSSBQRABTM-TWMKHBPISA-N 650.850 2.435 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 409014057 DTYHJJGCJOIWNS-DBLMTGOPSA-N 591.686 2.353 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409199604 PKJQMWFGZFEKCY-RJFKIUDMSA-N 565.648 2.460 0 40 KEAB COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc3ccccc3)COc3ccccc3C(=O)N2)cc1 643565510 HJPGGNKYDUMSOS-HPJWIMSGSA-N 602.688 2.346 0 40 KEAB C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)O)CC[C@@]45C)C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 2037521807 OHJWWOZXCKEOGK-ONABFCSRSA-N 897.109 2.373 0 40 KEAB COC(=O)C[C@H](NC(=O)[C@@H](Cc1cncn1C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 4879528 OMRMPOFWTDYPRJ-YADHBBJMSA-N 552.540 2.038 0 40 KEAB COc1cc(C(=O)N2CCC(NC(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)CC2)cc(OC)c1OC 13085095 XONCNYMEXAGUPX-OAQYLSRUSA-N 501.555 2.320 0 40 KEAB COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c(C)cc(C)cc21 100910603 MMHVVKCBIXBDNO-VHXPQNKSSA-N 503.602 2.255 0 40 KEAB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N([C@@H](C)C(=O)O)C(=O)[C@H]45)[C@H]23)ccc1O 100922643 XUUMTQZOYYLJEH-ZEDYTSHSSA-N 516.597 2.487 0 40 KEAB NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1 101978082 HUPKRGCZIDHLAH-NDENLUEZSA-N 613.475 2.188 0 40 KEAB Nn1c(COc2cccc(Br)c2)nnc1SCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 102900134 VQPFUYRJAGJBEM-INIZCTEOSA-N 544.497 2.384 0 40 KEAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)cc1 103048548 XZZXYIVHRKIDGL-UHFFFAOYSA-N 568.718 2.260 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222438188 HRGLGFZUOSWDGS-LJQANCHMSA-N 503.621 2.476 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1I 224434693 AOMPWBLQZRSYBI-UHFFFAOYSA-N 516.357 2.121 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 225452166 KVBQKSFDQXOLJM-HNNXBMFYSA-N 542.452 2.396 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2[C@H](O)C[C@@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253618035 LTMHDMANZUZIPE-NODQXDDXSA-N 780.949 2.218 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 260757609 RLMDUKAKMBZMHY-GOSISDBHSA-N 521.636 2.420 0 40 KEAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408725919 QWALCLKKLNRDSD-DHNNRRLOSA-N 503.646 2.055 0 40 KEAB CC(C)c1nccn1CCC(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 585283801 HVBJNFDPQZODRG-AREMUKBSSA-N 502.587 2.461 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCCC2(CCN(Cc4cccs4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 1548891211 YPOIZLAOTACVAF-GGAORHGYSA-N 571.725 2.206 0 40 KEAB O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCN(C(=O)c3ccco3)CC2)n1)c1ccccc1F 13562124 SMMPHOJDGOVAQR-UHFFFAOYSA-N 503.494 2.309 0 40 KEAB CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)sc(C(=O)N(C)C)c1C 14129451 BOFPORRMHNXQMI-XMMPIXPASA-N 514.560 2.103 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1Cl 59838829 XAIIWOVAURQUIS-UHFFFAOYSA-N 586.132 2.477 0 40 KEAB Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc12 85432363 RRHPIUJOSIJECH-SDHOMARFSA-N 672.828 2.341 0 40 KEAB COCCn1/c(=N/C(=O)c2ccccc2I)sc2cc(S(N)(=O)=O)ccc21 100873029 GHCZBILSLVTKBE-JZJYNLBNSA-N 517.370 2.342 0 40 KEAB CCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1OCC 103044570 IFYLURCOLVRGPA-UHFFFAOYSA-N 546.646 2.048 0 40 KEAB CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c12 106098773 XAKSFGPHKQCSPF-XFQHIXSQSA-N 541.645 2.207 0 40 KEAB biogenic Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCOCCOCCOCCOCCOCC2)cc1 141919481 RJLGGLYEZASIQB-LJAQVGFWSA-N 603.738 2.291 0 40 KEAB C[C@@]1(O)CN(C(=O)CCCn2c(C(F)(F)F)nc3ccccc32)CC[C@H]1n1cnc2c(N)nc(N)nc21 257339241 ZAWVKUKWDIHYPT-IVZQSRNASA-N 517.516 2.364 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2cccc3ccccc23)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 257346733 QMXHRZRGBPKKEW-LSDVVMKASA-N 532.571 2.209 0 40 KEAB Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N1 643566682 WTPLCTOGZVWISL-FRDKBHKLSA-N 639.757 2.477 0 40 KEAB O=C1N[C@@H]2CCN(CC(=O)N3CCCC3)C[C@@H]2CC=CCC2(CCOCC2)C(=O)N[C@H]1Cc1ccccc1 1615128678 UWOICDOHQQSEQG-NXCFDTQHSA-N 522.690 2.290 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 680795 QOQUGXZAJWKAFH-HVUZKSCUSA-N 539.610 2.245 0 40 KEAB COC(=O)c1ccc2c(=O)n(CCCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(S)nc2c1 32959248 DGUDSDAOQKBKBQ-UHFFFAOYSA-N 524.599 2.325 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 64704925 KQIAHMAJIDFFKJ-QTUJNPFGSA-N 568.604 2.288 0 40 KEAB CC1(C)C[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@](C)(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 150480163 CUHVRZXBQZGONF-IEWVHIKDSA-N 676.858 2.473 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 222556313 VNBLJPLAXRNAHX-UHFFFAOYSA-N 547.602 2.179 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3C[C@@H](O)[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@H]1O 256103888 JFSXBMIFXZFKHD-DPJUKZCISA-N 520.663 2.456 0 40 KEAB biogenic,in-vitro CCC(=O)O[C@H]1[C@H](O[C@H]2[C@H](C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O)[C@H](C)O3)[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)C(=O)[C@@H](C)C[C@]2(C)O)O[C@H](C)C[C@@H]1N(C)C 257198900 LDPQBQHLRNRTEU-WCPYQUBESA-N 775.974 2.356 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(Cc3ccc(F)cc3)CC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643582559 LEAFWGPTCHHMHE-VMPREFPWSA-N 615.706 2.237 0 40 KEAB Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)n(-c2ccccc2)n1C 3229125 NBESAFNKIWKMQS-SFHVURJKSA-N 512.588 2.453 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 6546623 WUCPBIVNSJLWDR-OAQYLSRUSA-N 559.576 2.048 0 40 KEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1=O 14086223 OXJKQRFDWQCJAH-RUZDIDTESA-N 516.595 2.133 0 40 KEAB CSCC[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)O 38144910 ZRPCKLCAFOLTCA-DAYUXSDNSA-N 591.723 2.211 0 40 KEAB biogenic COc1cc2c(=O)n(Cc3ccc(C(=O)N4CCCC4)cc3)c(=O)n(CC(=O)NCc3ccco3)c2cc1OC 102524153 CXSRWSFPUPRINP-UHFFFAOYSA-N 546.580 2.374 0 40 KEAB COCCN(C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 102956826 NSCIDJXPSCLSGE-UHFFFAOYSA-N 543.580 2.040 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 103048494 YIQNPAHGTWRAPZ-UHFFFAOYSA-N 594.756 2.146 0 40 KEAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCOCC3)cc1)O2 260888175 JAADDAUKQPXOPJ-HHHXNRCGSA-N 601.703 2.167 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 409166393 DORLHYURLODPOO-JGAIACPSSA-N 681.764 2.460 0 40 KEAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O 409379038 UORBTUFCUPFUTR-MHWRWJLKSA-N 513.366 2.286 0 40 KEAB CC(C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)CN(C)C1=O 643569226 OKFOZRWLPXGFNP-LOMAHXHCSA-N 625.742 2.295 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC(OC)CC2)CC(=O)N[C@@H](CC(C)C)C1=O 643584452 AVZRCJOYLMWWGG-ZEQRLZLVSA-N 544.693 2.365 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)c1cc(Cl)ccc1OC[C@H](N)Cc1ccccc1)C(=O)O 2037879863 UYDNTMXCLPKSAD-JLDOIHCFSA-N 547.052 2.268 0 40 KEAB CCCCN(C(=O)COC(=O)c1ccc(NC(C)=O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 15980113 FWSZNUUPFVHYFU-UHFFFAOYSA-N 507.547 2.116 0 40 KEAB COCCn1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20082808 FYQYWHQPBPZWMK-SANMLTNESA-N 531.617 2.414 0 40 KEAB CN(C(=O)COC(=O)COc1ccc(Cl)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23076473 SZNGCDYYOKCIDB-UHFFFAOYSA-N 507.330 2.059 0 40 KEAB O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1 59885384 JHLILQKVXPFSRZ-SANMLTNESA-N 572.684 2.238 0 40 KEAB CCCCN1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1 67337217 WVZREJWNTDHGPB-UHFFFAOYSA-N 509.076 2.142 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 89847730 KCOZIGYOSJDNEL-HXUWFJFHSA-N 501.590 2.459 0 40 KEAB COc1cccc(CN2C(=O)N[C@@](NC(=O)c3ccc(OC)c(OC)c3OC)(C(F)(F)F)C2=O)c1OC 97955236 OBFDFOJTGLLVHW-JOCHJYFZSA-N 527.452 2.470 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)c(OC)c1 100274931 QLYZSKSWVJFALG-YCRPNKLZSA-N 543.602 2.426 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 223777856 ZJPCCQRJUGMBQE-UHFFFAOYSA-N 581.713 2.471 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3[C@H]3C(=O)N(c4cccc(S(=O)(=O)N(CC)CC)c4)C(=O)[C@@H]23)c1 245265389 GSHXHFGOLJGKKB-JZFZMOLRSA-N 668.794 2.475 0 40 KEAB CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 101264784 AVIHJXHFJHJLDS-HSZRJFAPSA-N 545.562 2.386 0 40 KEAB CC(C)C(=O)O[C@H]1[C@@H](O)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C 101898252 POYLUMRXMKSMJK-FCHSSTLOSA-N 530.611 2.200 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC 409151545 HQSPPDOQJMGKKS-ZHGFHMGHSA-N 634.755 2.358 0 40 KEAB Cc1cncc(C(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)CN(C(=O)c3ccccc3F)CC2)n1 643913241 MPSDNLQQKRTGGU-ZONZVBGPSA-N 560.667 2.472 0 40 KEAB CO[C@@]12c3c(C)cc(O)c4c3C(=C(O)[C@@H]1[C@]13COC(=O)c5c(O)cc(C)c(c51)C(=O)[C@H]2[C@@H]3OC(C)=O)COC4=O 2048391318 WJYWUSOPXUCHIW-FKKRYKJISA-N 548.500 2.492 0 40 KEAB biogenic CO[C@@H]1[C@H](O)[C@@H](O[C@H]2C[C@@H](O)[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)O[C@H](C)[C@@H]1O 43328169 DKYDBQQIQAPGMH-CSGWGNODSA-N 550.689 2.081 0 40 KEAB biogenic,in-vitro NC(=S)c1ccc2c(c1)OCCOCCOCCOc1ccc(C(N)=S)cc1OCCOCCOCCO2 104120455 IIYKKCYNNQIUKY-UHFFFAOYSA-N 566.698 2.250 0 40 KEAB O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(Cc4ccc(F)c(F)c4)C[C@@H]13)CC[C@@H]2O 253400744 LQUUKJBNWCNXGF-ZDKQOFBKSA-N 515.557 2.099 0 40 KEAB COCCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2sc3c(c2c1=O)CCCC3 3379254 LEOVPVRXKBMCBJ-UHFFFAOYSA-N 508.647 2.361 0 40 KEAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C 20008999 USZGBOMNQFDNEW-OAQYLSRUSA-N 503.602 2.179 0 40 KEAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCC(=O)N[C@H](C(=O)NC[C@@H]4CCCO4)C(C)C)ccc23)cc1 70712355 DWLPWAMBAGMZAI-ZTOMLWHTSA-N 565.623 2.400 0 40 KEAB biogenic CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 94303157 SFCZXSUFIPUMPQ-UJEXSXRDSA-N 729.732 2.015 0 40 KEAB in-vitro CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[C@@H]2SC1 97945790 QMEVPPCITPMHCH-UGSOOPFHSA-N 536.916 2.125 0 40 KEAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 97963819 WJZGNPQPASBNFB-UHFFFAOYSA-N 550.590 2.298 0 40 KEAB Cc1nn(-c2ncnc3nc[nH]c23)c2c1[C@]1(CC(O)=N2)C(=O)N(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c2ccccc21 101363591 SRJHDJSIWCMJSQ-LDLUVENISA-N 617.692 2.143 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224378696 JPXKVLHRRJAKFH-FQEVSTJZSA-N 507.584 2.306 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 409262777 HBRKIDNWZIMACW-SANMLTNESA-N 620.775 2.420 0 40 KEAB CN1CC(=O)N(CCCOc2ccc(CN3CCOC[C@](O)(COc4cccc(F)c4)C3)cc2)C1=O 585280943 UGMUTXWXJCFDGA-SANMLTNESA-N 501.555 2.131 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)c2cnn(C)c2)CCCCOC[C@@H](O)[C@H]1O 643912726 AKPCFOQHILKKOQ-TWJOJJKGSA-N 548.656 2.107 0 40 KEAB CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 669370013 WPTAROWBMZVECB-CQJMVLFOSA-N 655.749 2.360 0 40 KEAB CC(C)Cn1c(SCn2nnc3ccccc3c2=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 3244825 SYGVSLWMNXHKGY-UHFFFAOYSA-N 541.659 2.477 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)c(OC)c3)C2=O)cc1 12939684 YEICSEGONYWDBE-DEOSSOPVSA-N 518.592 2.140 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 20032665 CMBSHFADLGDWER-UHFFFAOYSA-N 509.650 2.197 0 40 KEAB COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20083709 CYBVWVMURSUSFD-SANMLTNESA-N 531.617 2.414 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 64634967 MNPBIQHOPFNEHF-GXPYYPFNSA-N 538.578 2.279 0 40 KEAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 96018730 AKWOULSEQUQCTK-AREMUKBSSA-N 542.614 2.428 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)CCCOc2ccc(Cl)cc2C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 97983230 LBSRZJUTWXANAX-PFDHNPLJSA-N 557.980 2.007 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 216371964 DSVRNURBJIOYII-UHFFFAOYSA-N 551.687 2.205 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Br)cc1 224288435 STFGXTBRIBYYGW-UHFFFAOYSA-N 560.492 2.195 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224307275 AIBZFDFZHKLVDJ-UHFFFAOYSA-N 537.660 2.073 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCn3ccnc3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 585275025 UEIUUQAVRHWVCJ-MHZLTWQESA-N 530.572 2.341 0 40 KEAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(I)cc2)cc1S(=O)(=O)N1CCOCC1 3219463 SKVPEFJSPDXHOQ-UHFFFAOYSA-N 544.367 2.416 0 40 KEAB CC(C)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 6190500 XNJISPIGUVSARX-ZRBLBEILSA-N 522.602 2.058 0 40 KEAB CCOC(=O)CN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 6546294 GQIMSYNKVIBIQB-LJQANCHMSA-N 505.572 2.159 0 40 KEAB CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)[C@@H]1CCS(=O)(=O)C1 13527248 VNTISDIOZWRTSL-FXAWDEMLSA-N 520.629 2.019 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 19961913 LRLGVIYGHCVHBY-NRFANRHFSA-N 504.418 2.471 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)O 70699067 KRKPXFNVOIIJMC-SZOBAZRNSA-N 522.602 2.230 0 40 KEAB biogenic CC(=O)N[C@H]1[C@H](Sc2nnc(-c3ccccc3)n2CC(C)C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70712148 KPCRYRRUYSHRNL-GAQRMDFMSA-N 562.645 2.349 0 40 KEAB biogenic Cc1c(C)n2c3c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n(C)c3nc2n1CCN1CCOCC1 96306508 FBNPRXLRICONGV-UHFFFAOYSA-N 505.406 2.454 0 40 KEAB O=C(Cn1c(=O)n(CCC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2ccccc21)NCc1ccco1 101304882 JMFSSFUNZNFVKQ-UHFFFAOYSA-N 543.624 2.244 0 40 KEAB CCOC(=O)C1=C(COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)NC(=O)N[C@@H]1c1ccco1 102220432 SBTOKECGSIJXIY-OAQYLSRUSA-N 529.527 2.379 0 40 KEAB CCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 102920527 SGNZRUPYWXHIAP-UHFFFAOYSA-N 544.081 2.425 0 40 KEAB CO[C@]12c3c(C)cc(O)c4c(=O)occ(c34)C(=O)[C@@H]1[C@@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@H]3OC(C)=O 103884465 WBQDAYWQELBEPU-IIDQQGLMSA-N 546.484 2.341 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224184773 ZDWZXFMRHZXFDS-UHFFFAOYSA-N 541.648 2.338 0 40 KEAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 224412842 UBYXVDKWKONTBN-UHFFFAOYSA-N 581.713 2.374 0 40 KEAB CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n12 226376929 NXXZUVBMMIOJQO-YQDCQOQZSA-N 510.369 2.360 0 40 KEAB O=C(COc1ccc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)cc1)Nc1ccc(Br)cc1 408580539 REZBGQYUAMZALR-SFHVURJKSA-N 545.434 2.268 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccccc3C)CC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 585283741 UKMXEXXHPMJNMV-MUUNZHRXSA-N 533.616 2.205 0 40 KEAB CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCC2CC2)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O 643564397 LXBASUQUQCDPPB-PMSBSAKUSA-N 500.640 2.156 0 40 KEAB Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643578722 GYQUOGRFIREVBS-ZEQRLZLVSA-N 538.645 2.060 0 40 KEAB CN(C)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCOCC3)n2-c2ccc(F)cc2)c1 3304240 XMUIDWKFTODWEL-UHFFFAOYSA-N 505.597 2.275 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCN(C(C)C)C4)cc2)CC1 4177804 XZNIZCMGWNJDIL-UHFFFAOYSA-N 563.702 2.329 0 40 KEAB COc1cc(OC)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 59722856 FEVBHIOUDRSZLI-UHFFFAOYSA-N 564.594 2.118 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](C)n4nc(C)c(Cl)c4C)[C@H]3SC2)s1 97945479 GJSFKTMPTNFHKN-HXEOFFAUSA-N 529.069 2.405 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 216331309 HMJXIPGOAXJGCK-UHFFFAOYSA-N 501.590 2.455 0 40 KEAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 226050058 KWBNDEYGWPQEDZ-HXUWFJFHSA-N 553.678 2.378 0 40 KEAB CC(C)c1noc(CCC(=O)N2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)n1 585283723 GZCCDQOQMAMBAB-VWLOTQADSA-N 504.559 2.190 0 40 KEAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3nn(C)cc3I)cc2)s1 2096276 YDPKYEQEUCOJKL-UHFFFAOYSA-N 577.455 2.366 0 40 KEAB CN(C)C(=O)COc1nc([C@H]2CCCCN2CC(=O)N(C)C)nc2c1CN(C(=O)C1CCCCC1)CC2 72341283 GYNZCODGERBOIP-JOCHJYFZSA-N 514.671 2.024 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(NC(=S)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 102929331 FACASOWOFCUJTQ-UHFFFAOYSA-N 554.716 2.173 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccc(F)cc1 408860930 IWAXONCUEYOFJO-IMEWXKHHSA-N 506.559 2.128 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 409164885 PDJULZCWPXQEBS-UNRSNATKSA-N 667.737 2.070 0 40 KEAB CCOC(=O)c1c(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C(OC(C)=O)OC(C)=O)C=C[C@H]3O2)sc2c1CCCC2 409307071 QWDLUKUOMDHNGO-RHWKAXAFSA-N 503.529 2.069 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]45)[C@@H]32)ccc1O 100872276 YAIVYBNOQIIQME-YBNHPJFCSA-N 502.570 2.099 0 40 KEAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1=O 102988156 MHIMCMGCKRJHBY-QGZVFWFLSA-N 523.995 2.431 0 40 KEAB C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224302897 PHZGLHVZJIULCL-KRWDZBQOSA-N 530.068 2.474 0 40 KEAB CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Br)cc1 409025683 YJUDUALIQFYYCO-UHFFFAOYSA-N 510.410 2.288 0 40 KEAB CO[C@H]1C[C@H]2C=C[C@@H]3[C@H]4[C@H](O)[C@@H](C)[C@@H](OC(=O)c5ccc[nH]5)[C@@H]3O[C@@]24C(C)=C[C@@H](C)[C@@H]([C@@H](C)O)OC1=O 1079896520 YEUSSARNQQYBKH-DAQFFLSOSA-N 515.603 2.400 0 40 KEAB biogenic O=C(NCCSc1ccccn1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 6473910 SFHXBKJLWOLRSM-QFIPXVFZSA-N 546.696 2.054 0 40 KEAB O=C(NC[C@@H]1CCCO1)[C@@H](c1ccncc1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 8690340 JIOIQYCASBDDMD-BKMJKUGQSA-N 566.611 2.431 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)cc3oc(=O)c4c(c23)CCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 70691607 BRCZNBQDTXWHFH-NYZPJPFGSA-N 546.525 2.052 0 40 KEAB biogenic C[C@H](Cn1cccn1)N(CC(=O)N(C)C[C@@H]1COc2ccccc2O1)CC(=O)N(C)C[C@@H]1COc2ccccc2O1 102758073 BFCRPOMEGTXNOB-WXFUMESZSA-N 563.655 2.170 0 40 KEAB CCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nnc1-c1ccccc1 103129586 KQASTWDZXNBHLR-UHFFFAOYSA-N 534.598 2.067 0 40 KEAB COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1OC 225321648 YCOLLUDSRLEATA-UHFFFAOYSA-N 505.578 2.287 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225829334 AKCBFWQCGSSKKP-UHFFFAOYSA-N 525.649 2.209 0 40 KEAB C[C@@]1(O)CC2(CCN(C(=O)CCc3nc4ccc(Cl)cc4[nH]3)CC2)OC[C@H]1n1cc(F)c(O)nc1=O 257283547 OYUQGXBHPOCQRY-WZONZLPQSA-N 519.961 2.324 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(OC)c3OCC(=O)N3CCOCC3)C2=O)o1 409399254 HCMGYMZVEGVMIT-YVLHZVERSA-N 533.921 2.059 0 40 KEAB Cc1ccc(S(=O)(=O)NCCN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2C)c(C)c1 575425777 WIWBJCPPVXMKAJ-FQEVSTJZSA-N 514.691 2.077 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3)c(OC)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 585273715 DNSKUNTVNQBTCP-MUUNZHRXSA-N 560.598 2.350 0 40 KEAB O=C(CN1CCC[C@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)NCc1cccc(F)c1 2037879668 KNJKEYNWICWQEW-MUUNZHRXSA-N 508.594 2.409 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6546628 LENBMXDZCXKZLU-OAQYLSRUSA-N 559.576 2.048 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C)C(=O)NC[C@@H]3CCCO3)n2)cc1OC 12716709 BWDITNJBTXJWMV-WMZOPIPTSA-N 514.608 2.131 0 40 KEAB Cc1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 20239167 OAHKOZZREUGBKO-XMMPIXPASA-N 513.641 2.375 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Br)c3C3CC3)[C@H]2SC1 97948565 CPXOKHOGWXQWHX-ZPEWRENVSA-N 581.367 2.405 0 40 KEAB CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1Cl 103007092 RVAVFWVHDQBQPK-UHFFFAOYSA-N 535.475 2.189 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223710215 CSYYGQQRFOXJOS-INIZCTEOSA-N 510.012 2.431 0 40 KEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224421473 GFNLFTWEODKADO-UHFFFAOYSA-N 553.703 2.248 0 40 KEAB CN(c1ccccc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 224449638 KVWFIRXUBMHESH-UHFFFAOYSA-N 559.666 2.341 0 40 KEAB C[C@H](O)[C@H](CCCCCCCCCCCCCCCC[C@@H](O)[C@@H](C)NCC(=O)O)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253529491 BFJZLVDYMQIIMI-WOXVHMQLSA-N 593.799 2.218 0 40 KEAB biogenic,in-vitro CN1CCN(C(=O)C[C@H]2CN(C(=O)CN3CCCC3)CC[C@@H]2Oc2cccc(Br)c2)CC1 257277194 NWVCOCFJYKHLED-UGKGYDQZSA-N 507.473 2.305 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CCO)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1OC 12704143 GGBDPCSGENCCCH-QFIPXVFZSA-N 514.608 2.040 0 40 KEAB CCN(C(=O)COC(=O)CCc1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32666493 YLEUKCHWNGKMKX-UHFFFAOYSA-N 507.572 2.306 0 40 KEAB COc1cc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccc(Cl)cc2)cc(OC)c1OC 100164919 XQLSHABSFQRLSB-JOCHJYFZSA-N 554.865 2.345 0 40 KEAB COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)c2ccccc2O1 222572670 DHUPCVOTUCUNPF-OPAMFIHVSA-N 504.561 2.072 0 40 KEAB COc1cccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 224448361 GCBKDXQWOSXVDN-GOSISDBHSA-N 501.605 2.419 0 40 KEAB O=C(COc1ccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)cc1)Nc1ccc(Cl)cc1 408577634 IUSDAPSJCCZFAX-GOSISDBHSA-N 500.983 2.159 0 40 KEAB O=S1(=O)C[C@@H](N(c2cccc(O)c2)S(=O)(=O)c2cc(Br)ccc2Br)[C@@H](O)C1 575424937 WFMKFTQAMAETMR-CABCVRRESA-N 541.239 2.270 0 40 KEAB Cn1cc(CN2CCC3(CCOc4cc(-c5ccc(F)cc5F)ccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)cn1 1548890199 NDVDKXPWUHYEKP-RDGATRHJSA-N 601.676 2.423 0 40 KEAB CC[C@]12C=CCN3CC[C@@]4(c5cc(Br)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 64454525 OTYOQSWRKXGMLS-NKWXPJCESA-N 535.435 2.404 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70672377 OPQDOPWWBGEPER-JZVHMONDSA-N 630.599 2.441 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(=O)O)oc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 85867836 ZUKVGFWPSCEHIY-JGCBHRGDSA-N 670.576 2.391 0 40 KEAB COc1ccc(/C=c2/sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)cc1O 96913803 YVKZVUFVGGVZBU-CTFVLHKCSA-N 527.606 2.333 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)COc3ccc(F)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 100072522 FHAFYTMDIMBRQD-RKFAPSRVSA-N 592.525 2.255 0 40 KEAB CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccn4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 170621353 TUJBDTAESXDYIX-NWWWPDLMSA-N 569.519 2.317 0 40 KEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1=O 195528612 HMHBLMRKQGJXAA-TZPNTHKFSA-N 532.594 2.419 0 40 KEAB CCOc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1 224436204 CYZDSKHLCUQYPO-UHFFFAOYSA-N 603.719 2.497 0 40 KEAB CC[C@H](CCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1 2060990583 PWKRIVHAEAYCHH-UUHWOVMZSA-N 561.749 2.235 0 40 KEAB CCOC(=O)[C@@H](C)C[C@H](C)C(=O)N1CCOCCN(C(=O)[C@@H](C)C[C@@H](C)C(=O)OCC)CCOCC1 6547543 UAGMDKBSYWLEFF-MYGLTJDJSA-N 514.660 2.141 0 40 KEAB COCCn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OC)ccc2[nH]c1=O 13033284 RIIQWFIXQAOJOX-UHFFFAOYSA-N 508.579 2.432 0 40 KEAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59852280 WGEVDPSRNMDOEN-UHFFFAOYSA-N 535.688 2.131 0 40 KEAB Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCN(Cc2ccccc2)CC1 79189630 YDASJPGPQGHZEP-RPWUZVMVSA-N 515.658 2.190 0 40 KEAB biogenic COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2)cc1 224211443 AFHHFVLTJXRYQK-UHFFFAOYSA-N 547.655 2.336 0 40 KEAB CCOc1ccc(C)cc1S(=O)(=O)NCCN1CCN(S(=O)(=O)c2cc(C)ccc2OCC)CC1 231430437 KUHNNCJACBNZEZ-UHFFFAOYSA-N 525.693 2.386 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 253587956 AGOYDEPGAOXOCK-QYFAFBBXSA-N 747.964 2.440 0 40 KEAB in-vitro O=C(CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1)N1CCC[C@@H](N2CCOCC2)C1 643558353 JJZNEOSVQUXKIJ-RUZDIDTESA-N 512.695 2.313 0 40 KEAB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2C(N)=O)C1 3007307 YVFXHNDZJWFCPS-UHFFFAOYSA-N 504.634 2.425 0 40 KEAB COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)NCc4ccc5c(c4)OCO5)nn23)cc1 9578624 XTRLJUXFNSVHEU-UHFFFAOYSA-N 520.571 2.243 0 40 KEAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C(=O)O)[C@H](C)O 70701054 QVWRFGLEXKHDDK-YEOXESLPSA-N 532.597 2.119 0 40 KEAB biogenic COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)CCc2ccccc2)(C(F)(F)F)C(=O)N3)cc1OC 100147347 RSAIYCJRPJAJTF-VWLOTQADSA-N 546.502 2.255 0 40 KEAB CCOC(=O)CC[C@@H](NC(=O)CCCCCCC(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC 216759945 KGURLBRIRXSQRB-WOJBJXKFSA-N 544.642 2.109 0 40 KEAB COc1cccc(OCCNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1 223773528 TUFZARONBIJOOG-UHFFFAOYSA-N 504.346 2.261 0 40 KEAB CCN(CC(=O)NCCNS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 226054863 TWNDWJLYKGXJPR-UHFFFAOYSA-N 508.449 2.407 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O 643568900 OCVQRCRSPSHCTF-ZEQRLZLVSA-N 644.651 2.271 0 40 KEAB CC(C)C[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CC(=O)N1C 643571744 SXAMPGSMVSGZLS-DCAGSKGISA-N 706.885 2.235 0 40 KEAB COc1ccc(CCCNC(=O)[C@@H]2CC(=O)NC(C)(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)cc1OC 643576455 JSNNFXDCUBOULI-VMPREFPWSA-N 701.821 2.462 0 40 KEAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)CC2)c1 3422147 QXTVMIAROOZZBA-UHFFFAOYSA-N 522.630 2.186 0 40 KEAB O=C(OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 38152158 SRPSJMLVXZRXTM-DDKRZIBASA-N 557.515 2.137 0 40 KEAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 38152221 NTVYLTPXGGREIC-INIZCTEOSA-N 531.587 2.387 0 40 KEAB O=C([C@@H]1[C@@H]2C(=O)N([C@@H](c3ccccc3)c3nnnn3-c3ccc(Cl)cc3)C[C@]23C=C[C@H]1O3)N1CCOCC1 97957122 JNPYAGCBKTZUTP-FZXMMJFKSA-N 532.988 2.046 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@]5(O)[C@](O)(C[C@H]6OC)[C@@H](C[C@@H]23)[C@@H]14 245240015 NWBWCXBPKTTZNQ-DBJZOWTLSA-N 584.710 2.222 0 40 KEAB biogenic,in-vitro CCOC(=O)[C@H](C)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 252394533 PKSYUSBHIMIUJC-XCUDZRBYSA-N 646.741 2.326 0 40 KEAB O=C1CC[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)N1 643566338 CLRUPEFJFBNTJK-CONSDPRKSA-N 641.769 2.340 0 40 KEAB Cc1nn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=O 6142271 GWMZKXRYVUGEPF-UHCVVMIDSA-N 571.542 2.446 0 40 KEAB C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1C[C@@H](C)O[C@H](C)C1 12546619 ZCGOVPVDYILWKH-ZACQAIPSSA-N 504.561 2.440 0 40 KEAB CCC(=O)N(c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1)C1CC1 12820558 YJYZKEQRLAXPQJ-UHFFFAOYSA-N 509.679 2.377 0 40 KEAB CCn1c(COc2ccccc2Cl)nnc1S[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O 103506794 CBDVADVIHJPHMA-QJRASEFVSA-N 599.062 2.279 0 40 KEAB O=C(NCCS(=O)(=O)N1CCCCC1)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584502 OSYUQKZLINQCJV-UHFFFAOYSA-N 501.649 2.322 0 40 KEAB NC(=O)[C@@H](Cc1cc(I)c(O)c(I)c1)NC(=O)c1ccccc1 8618535 QJPXSFLBPXVGFN-CYBMUJFWSA-N 536.107 2.428 0 40 KEAB NS(=O)(=O)c1ccc(CCNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)cc1 9152473 WRKKUSZQROTAOV-UHFFFAOYSA-N 508.585 2.412 0 40 KEAB COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 13496949 MZACUDQNBVJYSK-UHFFFAOYSA-N 509.650 2.383 0 40 KEAB COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2cc(C)ccc2C)CC1 20084266 VJHOMCKGKPFWJY-VWLOTQADSA-N 517.590 2.418 0 40 KEAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 59816477 UGCZQQYHSZFKTE-QHCPKHFHSA-N 575.588 2.360 0 40 KEAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1S(=O)(=O)N1CCOCC1 72139805 XHRJJQZWTSCPOT-UHFFFAOYSA-N 537.660 2.451 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccco2)cc1OC 100290910 BEGQWNCQARNKFS-JLTOFOAXSA-N 529.575 2.118 0 40 KEAB COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(C(=O)OC)ccc21 100876210 FCTIGASNNVJAAQ-VHXPQNKSSA-N 517.585 2.188 0 40 KEAB COc1cccc(CNC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)c1OC 101354066 XKZUDZHDUZUZKN-UHFFFAOYSA-N 534.569 2.302 0 40 KEAB COc1cccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 224448308 GCBKDXQWOSXVDN-SFHVURJKSA-N 501.605 2.419 0 40 KEAB COc1cccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1 643568742 FIEBRADEDVNESU-RPLLCQBOSA-N 552.672 2.314 0 40 KEAB CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 2060999642 VOWJAFYNABYJKY-ODAPJYLQSA-N 785.025 2.149 0 40 KEAB COC(=O)C1=c2s/c(=C/c3cccc(OC)c3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1cccc(OC)c1 1788612 GNFZEPVGTQAPIK-DFOZZHOTSA-N 590.679 2.436 0 40 KEAB CC(C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(=O)N(C)[C@H](C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(C)C 6001852 XSAKVDNHFRWJKS-RLXMVLCYSA-N 640.870 2.495 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccccc3F)c2=O)=C(C(=O)OCC)[C@@H]1c1ccccc1F 8448673 DQZNEQWVJYJMBH-HJDVLLJCSA-N 512.534 2.218 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 40164317 XSOLDPYUICCHJX-JQOWUBFDSA-N 515.713 2.368 0 40 KEAB endogenous,in-man COc1ccc(-c2cc(C(=O)N3CCN(CCc4ccccn4)CC3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 96125581 WHRUVMHLIRNTJT-QFIPXVFZSA-N 509.632 2.314 0 40 KEAB Cc1nnc(SCCn2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c2c(=O)n(C)c(=O)n3C)s1 97957514 PYOHUEHTZXOONZ-UHFFFAOYSA-N 533.083 2.366 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)cc1 222766098 JMPQBOAQNKPDNU-UHFFFAOYSA-N 523.677 2.388 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223133770 GSROHUFEHUNPCE-IBGZPJMESA-N 510.012 2.431 0 40 KEAB CC(C)c1nc2ccccc2n1CC(=O)N1CCC2(CC1)C[C@H](n1cnc3c(N)nc(N)nc31)[C@@](C)(O)CO2 257210282 BTYSVJXLNCIMIY-SIBVEZHUSA-N 533.637 2.238 0 40 KEAB O=C1NC2(CCOc3cc(-c4ccccc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1csnn1)CC2 1548890237 NKANUOKRCDRWNW-PKTZIBPZSA-N 569.709 2.263 0 40 KEAB CC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 6075177 VILZZARSFHEEPO-IBGZPJMESA-N 510.576 2.293 0 40 KEAB CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)CC1 20483547 DQWXDCFJSSXRKW-UHFFFAOYSA-N 502.431 2.292 0 40 KEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1ccc(O)c(OCC)c1 20674875 ANIKGQGDZAUMTM-DNQXCXABSA-N 524.574 2.044 0 40 KEAB CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](CCC(N)=O)C(=O)O 101381419 SBTVARAFWGZKFC-SFTDATJTSA-N 546.665 2.321 0 40 KEAB COc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1S(=O)(=O)N1CCOCC1 103041661 CSVVSOKIUTZVEJ-UHFFFAOYSA-N 540.436 2.118 0 40 KEAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 103048619 NSRJWLPOIXRGRB-UHFFFAOYSA-N 599.131 2.234 0 40 KEAB COC(=O)CSc1nnc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)s1 225280995 JHCXSZZFFAOMND-UHFFFAOYSA-N 536.613 2.408 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409050691 YOKLUCIMOJULQN-DNQIBQKISA-N 537.594 2.144 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(C)cc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409115939 JXDZJSPVJVEGRL-VFJWVMJUSA-N 519.579 2.446 0 40 KEAB Cc1nn(CCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c(C)c1C 643580836 UZSVRDPWRCUKRI-AFEGWXKPSA-N 737.858 2.173 0 40 KEAB CC(C)NCCCNCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CNCCCNC(C)C)cc2)cc1 4783174 YSYVCYYSMXMHQH-UHFFFAOYSA-N 560.765 2.352 0 40 KEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 5762933 WVIROHQCACRCMC-ZNZIZOMTSA-N 600.632 2.147 0 40 KEAB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1C(c1ccncc1)[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 6446532 SFTHIVFUILROAK-PMACEKPBSA-N 529.603 2.293 0 40 KEAB C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1=O 14086057 NWSBNUIQSIONHD-OAQYLSRUSA-N 505.394 2.262 0 40 KEAB COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)cc2O)cc1 70672336 OSPUWYWJNWIARF-MJXUZWQSSA-N 604.561 2.124 0 40 KEAB COc1cccc(CN2C(=O)N[C@](NC(=O)c3ccc(OC)c(OC)c3OC)(C(F)(F)F)C2=O)c1OC 97955237 OBFDFOJTGLLVHW-QFIPXVFZSA-N 527.452 2.470 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cc(OC)c(OC)c(OC)c4)o3)cc2)CC1 97963818 CJEDWWSFMLGCMO-UHFFFAOYSA-N 575.600 2.478 0 40 KEAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222914951 LFFVREMVVYVQDF-IBGZPJMESA-N 503.621 2.210 0 40 KEAB COC(=O)C[C@@H](c1cccc(OCc2ccccn2)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O 524733690 FWZSTTXPISFIHA-QHCPKHFHSA-N 507.543 2.288 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1cc(Cl)ccc1OCCNCc1ccccc1)C(=O)O 2037879547 CTFKHEASHLIBGL-GRWTVWFQSA-N 533.025 2.098 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1ccccc1OC 2049508 IJOMFFGZFKANAJ-BXDIUNCMSA-N 508.552 2.270 0 40 KEAB CCOCCCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC(C)(C)C)c1ccc(OC)c(OC)c1 6600100 IBRQUYGSNKSUMD-LJQANCHMSA-N 521.640 2.366 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(F)cc4F)o3)[C@@H]2SC1 9431605 DOFPZHNBLIUWEV-UWJYYQICSA-N 508.455 2.052 0 40 KEAB O=C(CCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O)NC1CCN(Cc2ccccc2)CC1 20152718 QWBPLSDQXJJICL-UHFFFAOYSA-N 531.657 2.393 0 40 KEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)C1=O 38139655 QCIQWBHAVSWBEV-AREMUKBSSA-N 544.630 2.291 0 40 KEAB CCOC(=O)c1ccccc1NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 38140439 AITIMDAHVQFCEK-UHFFFAOYSA-N 532.571 2.233 0 40 KEAB COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)c1 59781021 CXXLMHDRZYUSJB-QFIPXVFZSA-N 534.444 2.480 0 40 KEAB CCCN(C(=O)COC(=O)COc1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 62577432 JKXDXJGURSOMLJ-UHFFFAOYSA-N 500.939 2.186 0 40 KEAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc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biogenic,in-vitro CC(C)=C[C@H]1OC[C@@H]([C@@H]2CC[C@]3(C)[C@H]4CC[C@H]5C(C)(C)[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]23C)[C@@H]1O 514287982 WVUZNNSUOXFJDU-KFIQZTSESA-N 783.009 2.023 0 40 KEAB biogenic,in-vitro Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)CCn4nc(C(F)(F)F)cc4C)[C@@H]3SC2)s1 2809731 PSPRBEWXKFTTPP-BBRMVZONSA-N 548.594 2.291 0 40 KEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)cc2)nc(C)n1 12536196 XCAHLOHAGFCBKR-XMMPIXPASA-N 508.560 2.300 0 40 KEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 13038519 ZHDZUDWKWGRQNO-SCWSXOCZSA-N 500.602 2.011 0 40 KEAB CNC(=O)c1c(I)c(N)c(I)c(C(=O)O)c1I 97972156 AKXKBAWZIVNNJR-UHFFFAOYSA-N 571.878 2.140 0 40 KEAB in-vitro COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)C[C@@H]2C(=O)c3ccccc3S2(=O)=O)c1 100455881 LPZPQBUXWMSZRN-CGEPWOFHSA-N 570.664 2.468 0 40 KEAB Cn1c(N)c(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc4c(c2)OCO4)CC3)c(=O)n(C)c1=O 103081623 BOCAVRAZOZAJIT-WJDWOHSUSA-N 540.532 2.470 0 40 KEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1OC 224256591 JGFMXBCDFZLCMF-UHFFFAOYSA-N 541.648 2.146 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 224349671 QQLXVJHLICSZAW-FQEVSTJZSA-N 521.661 2.067 0 40 KEAB CCOc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 224366638 SZOCEFVQLIOYRT-UHFFFAOYSA-N 539.676 2.221 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccccc2OCc2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 245267381 LLLNTXZITKTKCA-IDFBPUONSA-N 557.552 2.079 0 40 KEAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccccc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O 643574790 RCCVAWCVFXOJGO-ZFQPXVTNSA-N 641.769 2.253 0 40 KEAB CCN(CCO)C(=O)CN1CCCCCCOc2ccccc2N(CC(=O)N(CC)CCO)c2cncc(c2)C1=O 643585133 QMKQFOCQFUVTJS-UHFFFAOYSA-N 569.703 2.296 0 40 KEAB CCCCN(C(=O)CSc1nnc(-c2ccc(C)cc2)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3450947 SXMMPYLUYWPNPU-UHFFFAOYSA-N 534.646 2.373 0 40 KEAB Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@H](C)C(=O)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C 6144533 SVZLCNWXVYKVOS-QGZVFWFLSA-N 563.032 2.343 0 40 KEAB CCOC(=O)/C=c1\s/c(=C/c2ccc(OC)c(OCC)c2)c(=O)n1CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 33496895 RWDMKFHQXCSUST-BLNPPOFISA-N 516.660 2.430 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N/[C@H](C)[C@@H](O)[C@]1(C)O)O2 85867003 BPENQAXMHXRNMD-UPTJTGNFSA-N 730.937 2.405 0 40 KEAB CCOC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC 214689134 JJIWOTGPKDBHOH-MHWRWJLKSA-N 543.392 2.295 0 40 KEAB O=C(NCCCO)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223293455 PXYQBUIKSFNFGM-GDLZYMKVSA-N 581.691 2.355 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 225227121 WAZZHXXSZNSLTE-HXUWFJFHSA-N 531.631 2.196 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 408701947 HTCMCDYCWJBKGQ-UHFFFAOYSA-N 507.634 2.443 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 409152314 JPADAGPDWHTHDR-WWFXOLRUSA-N 577.659 2.045 0 40 KEAB Cc1ccccc1OCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(C)CC1 36393180 HHAVMHKJOCYCGD-UHFFFAOYSA-N 502.637 2.175 0 40 KEAB C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC1)CS2 38152351 ITAQRCMMKIJEOP-KSSFIOAISA-N 522.874 2.389 0 40 KEAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 96019929 VPWIVZZFZBTLIL-VWLOTQADSA-N 528.587 2.038 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(I)cc1 100409112 HEOVRNFGFNZWAX-UHFFFAOYSA-N 563.439 2.480 0 40 KEAB O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 102988073 RXGAGHVGXZJVRX-SFHVURJKSA-N 526.398 2.403 0 40 KEAB Cn1ccnc1CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2OC[C@]2(C[C@H](O)[C@H](O)C2)C1 253394204 ASOYXVOSYCWJDT-TZKYFUQOSA-N 610.655 2.142 0 40 KEAB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@H]([C@@H]23)[C@H]2C(=O)N(CC(=O)O)C(=O)[C@H]42)ccc1O 256055461 HUJWUIISPQBVIH-FFJWDXSPSA-N 502.570 2.099 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409386294 DUDWAFINDXVIIX-AYWGPLOBSA-N 531.590 2.078 0 40 KEAB Cc1ccccc1CN1CCC2(CCOc3cc(-c4cnn(C)c4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548891138 XTVJYDRIFSGHSL-FTJBHMTQSA-N 579.723 2.453 0 40 KEAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 6196976 YGILVSXDJCFLJU-GBXCKJPGSA-N 533.589 2.233 0 40 KEAB CC1(C)CN=C(N2CCN(C[C@@H](O)COc3ccc(OC[C@H](O)CN4CCN(C5=NCC(C)(C)S5)CC4)cc3)CC2)S1 6232506 KPTLJHVHNWSGKQ-DNQXCXABSA-N 620.886 2.164 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N3CCCCC3)cc2)cc1 12533695 KZXSJMYPLKWMBP-UHFFFAOYSA-N 503.577 2.405 0 40 KEAB CN1CCN(Cn2nc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n(C3CCCC3)c2=S)CC1 22922104 LYMQDTSXLXSQTP-UHFFFAOYSA-N 506.698 2.422 0 40 KEAB CSc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C(=O)N1CCOCC1 26117436 CCBPPOQHZVZBPA-UHFFFAOYSA-N 519.645 2.116 0 40 KEAB CCN1C(=O)/C(=c2\sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)c2ccccc21 97970767 RPGAIMGPAHMXGE-STRKAMBQSA-N 550.644 2.355 0 40 KEAB COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)c1 100626444 UGFDSKRIBKKXLI-IADCTJSHSA-N 597.636 2.494 0 40 KEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 409390933 MHGQLWKTFQTAJP-OAQYLSRUSA-N 515.632 2.477 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCN3CCCC3)cc2)C[C@](O)(COc2ccc(F)cc2)C1 585271499 ICACVNIMDPXCNF-MUUNZHRXSA-N 515.626 2.401 0 40 KEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCc1nc(CS(=O)(=O)c2ccccc2)no1 604419287 JWWDCSMXFWUYDU-PZGSVQSZSA-N 510.572 2.202 0 40 KEAB COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](CC(C)C)C(=O)NCCCOc3ccccc3C(=O)N2)cc1 643567469 GWMJDYRUDCLBDO-DQEYMECFSA-N 568.671 2.199 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 2061001040 WBWWGRHZICKQGZ-HKCJKQQASA-N 515.713 2.368 0 40 KEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)n2CCC 6153588 LMEPHBVUCMMGOU-UHFFFAOYSA-N 526.015 2.114 0 40 KEAB COCCCNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O 9616599 ZZSPCKCJNYEKQZ-UHFFFAOYSA-N 516.982 2.397 0 40 KEAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4cc(C(N)=O)cc(C(N)=O)c4)cc3C2=O)c1 13128908 SKVDNGOHPCAPEV-UHFFFAOYSA-N 514.494 2.097 0 40 KEAB CCN(c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)S(C)(=O)=O 20033681 GEFPRHULBPRJBA-UHFFFAOYSA-N 509.650 2.342 0 40 KEAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)N2CCOCC2)C1 97963572 GRTWQWRYNYSUNH-UHFFFAOYSA-N 592.696 2.008 0 40 KEAB COC(=O)C12CCC(CC1)[C@H]1C(=O)N(CCCCCCN3C(=O)[C@@H]4C5CCC(C(=O)OC)(CC5)[C@@H]4C3=O)C(=O)[C@@H]12 103553115 ADLRANCHRAKKIO-LNDFFQPTSA-N 556.656 2.476 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@@H]1[C@H](C[C@@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@H]4[C@]1(O)[C@H]2OC 249693496 NWBWCXBPKTTZNQ-AABSBLLUSA-N 584.710 2.222 0 40 KEAB biogenic,in-vitro COC(=O)c1ccc(C)c(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1 408921684 UVTKLUASLSAYSJ-XMMPIXPASA-N 557.650 2.484 0 40 KEAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCC(=O)N1CCOCC1 409196771 XPVCYAIZCXUXRD-BWAHOGKJSA-N 580.663 2.318 0 40 KEAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC[C@H]2COC)CC(=O)N(Cc2ccccc2)CC1=O 643570610 KZGYHWFPESKCPC-ZCYQVOJMSA-N 550.656 2.082 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](n2c(Cl)nc3c(Cl)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4285495 XKGOYPNCJQYUDK-LHNVCGPYSA-N 553.739 2.042 0 40 KEAB CCOc1ccc(NC(=O)COC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 12697818 HIVQXNICATYEFP-LJQANCHMSA-N 524.617 2.438 0 40 KEAB O=C(COC(=O)c1cccc(OC(F)F)c1)NCCNC(=O)COC(=O)c1cccc(OC(F)F)c1 13019789 ALEMRDLAEOEFAH-UHFFFAOYSA-N 516.400 2.136 0 40 KEAB COC(=O)c1cc(-c2ccc(OC)cc2)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)n1 36390460 LFGZJNKUQWTDGH-UHFFFAOYSA-N 514.542 2.324 0 40 KEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1C(=O)N1CCCC1 38756895 UAUPXUVHZWBSDS-UHFFFAOYSA-N 517.589 2.323 0 40 KEAB COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCN4CCN(c5ccccc5)CC4)ccc3c2=O)cc1 63439872 ORLLPGGNPFEIKC-UHFFFAOYSA-N 513.598 2.299 0 40 KEAB O=C(O)C1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)CC1 70701269 JVLCYFZXODGWLB-WXESENMXSA-N 546.624 2.472 0 40 KEAB biogenic CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@@H]23)[C@@H]14)[C@@]5(O)[C@H]6OC 101659473 NWBWCXBPKTTZNQ-SYHBLHGVSA-N 584.710 2.222 0 40 KEAB biogenic,in-vitro CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1 222637158 CPFHGLFALUAJRY-UHFFFAOYSA-N 517.629 2.442 0 40 KEAB Cc1cc(C)c2[nH]c(CCC(=O)N3CCC4(CC3)C[C@H](n3cnc5c(N)nc(N)nc53)[C@@](C)(O)CO4)nc2c1 257219017 DFGOAVHGMKUNJD-QYBDOPJKSA-N 533.637 2.190 0 40 KEAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408705096 YBQFOTMEMSQKGR-QGZVFWFLSA-N 523.633 2.426 0 40 KEAB COC(=O)COc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N2CC(=O)OC)cc1OC 409060046 RUKYUFYARNJXQT-WQRHYEAKSA-N 500.529 2.403 0 40 KEAB CN(CCCC[C@H]1C(=O)N(C)CCCCc2ccccc2OCC(=O)N1C)C(=O)CCCn1cncn1 643560108 ZNEPFWPYGZEZQY-QHCPKHFHSA-N 512.655 2.388 0 40 KEAB Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)n1 643565426 GGADDSDCWAKWDN-ZJOUEHCJSA-N 543.690 2.117 0 40 KEAB Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(C(=O)Nc3cccc(Cl)c3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O 1548889687 JYMZHHIWUMCYMF-YADHBBJMSA-N 630.127 2.225 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OCC)cc3)c2=O)=C(C(=O)OC)[C@H]1c1ccc(OCC)cc1 989084 MXMSOJOZGOZYRL-DYEBDLIZSA-N 550.633 2.348 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F 6547026 YOUJTRMPVLVTPZ-IBGZPJMESA-N 517.514 2.170 0 40 KEAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[nH]c(=O)c32)cc(C(=O)OC)c1 40400047 TXCGMUZVPCWMBE-OAHLLOKOSA-N 521.486 2.160 0 40 KEAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(Cl)c2)cc1 59852190 SXGBLCQRZHJPGO-UHFFFAOYSA-N 540.019 2.492 0 40 KEAB CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)n2CC(=O)OC 100876149 DDQUPLUTUOAFRZ-FCQUAONHSA-N 505.574 2.044 0 40 KEAB C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)C3(C)C)[C@@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 253390272 CLQAMCIMWDLXGK-KBHXBTKISA-N 911.092 2.465 0 40 KEAB biogenic,in-vitro O=C(NCCSCc1ccco1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408926949 RTMBVCZWLYHAFK-QHCPKHFHSA-N 549.696 2.393 0 40 KEAB COc1ccccc1CCCC(=O)N1CCC2(CC1)CNC(=O)COc1ccccc1C[C@H](O)[C@H](O)C2 643566851 YEUDIFYVMBNEOJ-BJKOFHAPSA-N 510.631 2.490 0 40 KEAB C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)C[C@](C)(O)CC(=O)O)O[C@H]2O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@]3(C)C(=O)C[C@]3(C)[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@@]43C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 1534688782 QHNUTPIUYCONRY-NJZMIRIFSA-N 925.119 2.442 0 40 KEAB CN(C)CCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCCCCCOc2ccccc2C(=O)N1 1615116349 BIYYAVUVJKGMMA-SVBPBHIXSA-N 579.742 2.382 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 635005 WSJAIEZQEMUPBE-DKOMQPSQSA-N 538.578 2.359 0 40 KEAB Nn1c(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccc(OC(F)F)cc1 13098248 AWPLZBLXUWRLKM-HNNXBMFYSA-N 501.581 2.311 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224496409 DDXJSALGOGUAOR-UHFFFAOYSA-N 595.740 2.019 0 40 KEAB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](c3ccccc3)N3CSC(=S)N(C(C)C)C3)[C@@H]2SC1 5837703 AXUHBKPZJHTHPF-MDYRTPRTSA-N 506.675 2.445 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OCC 6631483 PXFUKWNOCTVMMT-HXUWFJFHSA-N 529.575 2.192 0 40 KEAB COc1cc(C(=O)N2CCC(NC(=O)[C@@H](Cc3ccc(F)cc3)NC(C)=O)CC2)cc(OC)c1OC 13084846 OOAYWPWRGZUAAS-OAQYLSRUSA-N 501.555 2.320 0 40 KEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)cc1 25436268 NBEHYWATFSGKKW-UHFFFAOYSA-N 515.661 2.072 0 40 KEAB COCCCn1c(=O)/c(=C/c2ccc(Br)cc2)s/c1=C(\C#N)C(=O)NCc1ccco1 89410422 STVDHUNQWXOOMC-CAUCYFLRSA-N 502.390 2.121 0 40 KEAB Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)o1 100274963 AXUSWUCYFWVKBF-QVKFZJNVSA-N 541.586 2.180 0 40 KEAB CC(=O)OC[C@H](CN(C)C(=O)c1c(I)c(N)c(I)c(C(=O)N(C)C[C@H](COC(C)=O)OC(C)=O)c1I)OC(C)=O 150342729 SOIDLTXGVBBTRF-IYBDPMFKSA-N 901.227 2.216 0 40 KEAB in-vitro CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(O)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@]21C)C3(C)C 245190546 PHONQDOSFAMLPP-GNKUTZIISA-N 823.889 2.375 0 40 KEAB Cc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 260771673 WXFLALQUUWDJFF-LJQANCHMSA-N 503.621 2.474 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(C)cc43)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409120340 ZAZCAHYFKHWDMM-RKKARLDVSA-N 519.579 2.446 0 40 KEAB Cc1ccc(C)c(S(=O)(=O)NCCN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(C)ccc2C)c1 575425457 ZCRGSMRJRWHHNI-FQEVSTJZSA-N 514.691 2.077 0 40 KEAB CC(=O)Nc1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)c1 930503 YPJSRFDOQDJVJG-UHFFFAOYSA-N 506.588 2.480 0 40 KEAB CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCCSc1nnnn1-c1ccccc1 9110544 CYTPAAYTSHRAMK-UHFFFAOYSA-N 503.592 2.218 0 40 KEAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 12587796 RTABHZDPZJTEJT-UHFFFAOYSA-N 506.920 2.263 0 40 KEAB O=C(NC[C@H]1CCCO1)[C@H](c1ccncc1)N(Cc1cccs1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 17414107 WOWILPFOCUFWOT-DVECYGJZSA-N 554.650 2.353 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 59418623 ZRDUOEBWACSIHE-JUTHHCEFSA-N 506.536 2.452 0 40 KEAB CCCN1CN([C@@H](C(=O)N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)O)c2ccccc2)CSC1=S 104297979 DXSWMQGENGTFMW-WFXMFSGNSA-N 508.691 2.320 0 40 KEAB CC(=O)[C@@]1(O)CC[C@@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)c3ccc(O)cc3)[C@@]21C 118930098 IMRGSWAJVVVYOW-NMMXZEAMSA-N 500.588 2.401 0 40 KEAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409037282 MQCIHQVWSTXJHM-RLFCKUQXSA-N 582.631 2.463 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409388505 LWUKOBXBNFHPKH-JBCNATCCSA-N 537.619 2.140 0 40 KEAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(I)c1OCC(=O)N1CCOCC1 409398339 DADCLUDWLHDQHK-WQRHYEAKSA-N 639.399 2.400 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCCn3cccn3)c2)C[C@](O)(COc2ccccc2)C1 585279616 DRXXGHKRADTZDY-MUUNZHRXSA-N 508.619 2.453 0 40 KEAB O=C(/C=C/c1cccc(Br)c1)N1CCCCOC[C@@H](O)[C@H](O)[C@@H](O)CN(C(=O)c2ccc(F)cc2)CC1 643551660 AMVCZJNWIIMCGU-DUTKVHNRSA-N 579.463 2.466 0 40 KEAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 20032481 DRIIKLAXEXZTBV-SFHVURJKSA-N 509.650 2.243 0 40 KEAB COCCCN(C(=O)CSCC(=O)Nc1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23080087 OGIOFHCHSMJEMF-UHFFFAOYSA-N 525.631 2.217 0 40 KEAB CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70707341 WYRCEMYEJANPMA-FKBYEOEOSA-N 572.709 2.034 0 40 KEAB biogenic O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(Cc4ccccc4)C[C@@H]13)CC[C@H]2n1cc(CN2CCOCC2)nn1 253399069 IEKGXTKTIWOCQD-AUXUOOQGSA-N 629.762 2.125 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408945231 NGUGUHFYSNUNCT-QUYTYNJFSA-N 530.002 2.500 0 40 KEAB CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCC2CC2)CCC(=O)NC2(CCCCC2)C(=O)N1 643578800 SMOFPGUUKSIYIA-FCHUYYIVSA-N 512.651 2.444 0 40 KEAB O=C1NC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1cccnc1)CC2 1548890975 VFQZFYAPHNEICO-RPBOFIJWSA-N 570.712 2.033 0 40 KEAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 6878405 RDRPXVJZQOCXNU-UHFFFAOYSA-N 544.659 2.361 0 40 KEAB COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCN2CCOCC2)cc1 12469600 GLWWOKLSGFQIMR-QFIPXVFZSA-N 526.615 2.145 0 40 KEAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 12588350 RCWYOFSTRHUYPH-GASCZTMLSA-N 503.415 2.416 0 40 KEAB CSc1nc(N(CCO)CCO)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CC(C)(C)OC4 20477944 NFNTWKOMXSVHIM-UHFFFAOYSA-N 505.666 2.440 0 40 KEAB COCCN(C(=O)CSc1nnc(-c2ccc(C)c(C)c2)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 23076449 WRAGTBYZGDYEBP-UHFFFAOYSA-N 502.597 2.213 0 40 KEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1 100409432 CVFILFFOKDWOOB-UHFFFAOYSA-N 546.339 2.269 0 40 KEAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@]4(CCS(=O)(=O)c5ccc(F)cc54)C3=O)cc2)C1 195531197 YAWHBVAIIYFWAS-KRXBEKAOSA-N 592.671 2.056 0 40 KEAB C[C@H](C(=O)NCc1ccncc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222857197 YPDRDVGUTKRWLO-OAQYLSRUSA-N 570.643 2.354 0 40 KEAB COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 224203085 QXOKGGSBPYZUDX-UHFFFAOYSA-N 547.655 2.336 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C 584567071 AGBCLJAHARWNLA-LSLFAQIYSA-N 785.025 2.147 0 40 KEAB CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)/C=C/c2ccc3c(c2)OCO3)CCCCOC[C@@H](O)[C@H]1O 643551431 KIYXVVHUCOJMTD-IVTQSYFKSA-N 534.650 2.068 0 40 KEAB C[C@H]1COCCCCC2(CCN(C(=O)CCCc3nc(-c4ccccn4)no3)CC2)C(=O)N[C@@H](C)C(=O)N1 643564172 RHHKBSRHQUUSHY-PMACEKPBSA-N 526.638 2.273 0 40 KEAB COc1ccc(N2C(=O)[C@@H](C(c3ccncc3)[C@H]3C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)C(=O)NC2=S)cc1 6136622 DLWNEXGLNHNXHX-VXKWHMMOSA-N 589.655 2.311 0 40 KEAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 8684385 LXDRZULSZMFJQL-UHFFFAOYSA-N 505.568 2.171 0 40 KEAB O=C(Cc1cccs1)Nc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1 13562095 DRSDKRKVVYRTRS-UHFFFAOYSA-N 505.560 2.160 0 40 KEAB O=c1nc2n(c(O)c1[C@H](c1ccc(Br)cc1)c1c(O)nc3n(c1=O)CCS3)CCS2 13635518 NZPYQGKTXWDDFW-LLVKDONJSA-N 507.391 2.365 0 40 KEAB O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)N1c1ccc2ccccc2c1 25703451 IDDCKVRTYNIQQV-QFIPXVFZSA-N 507.568 2.249 0 40 KEAB COc1ccccc1CNC(=O)C[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O 29749130 JFZAGIMPQLTWNQ-XMMPIXPASA-N 634.740 2.100 0 40 KEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)C1=O 38139653 QCIQWBHAVSWBEV-SANMLTNESA-N 544.630 2.291 0 40 KEAB COc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 95117009 OTRJUVJKXXAZTN-UHFFFAOYSA-N 516.041 2.465 0 40 KEAB Cc1nn(C)cc1[C@@H](C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 100323420 VJXLDYJYHFPYJN-CPJSRVTESA-N 557.673 2.071 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCC(=O)O)C(=O)[C@@H]54)[C@@H]23)cc(OC)c1O 245225830 ROLCDTGTILUQPA-LKYXGTCVSA-N 532.596 2.107 0 40 KEAB CCOC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F 248042287 LCQMJMOTMRIGEZ-BCCBVXTOSA-N 516.435 2.300 0 40 KEAB CC(=O)Oc1ccc(-c2coc3cc(O[C@H]4O[C@@H](CO[C@@H]5OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]5OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 257198420 PWNURKDPPRSGQU-WMCFSMDUSA-N 900.792 2.377 0 40 KEAB CC(=O)O[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@]3(C)[C@@H](O)[C@H](OC(C)=O)C(=C1C)C2(C)C 257609496 WPPPFZJNKLMYBW-FLRCPEAFSA-N 630.687 2.015 0 40 KEAB biogenic CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(I)c1OCC(=O)O 409132013 OEERNXAVOHHKCV-VZUCSPMQSA-N 507.258 2.274 0 40 KEAB CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 605851693 MDPXIRWVLJUABC-MQHSWIPYSA-N 652.866 2.261 0 40 KEAB OC[C@@H](O)[C@H]1OCCCCCCOc2cccc(c2)N(Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H](O)[C@H]1O 2037972581 CPMKRTLBVANERC-BIYDSLDMSA-N 529.609 2.431 0 40 KEAB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)NC(=O)NCc1ccco1 12524854 YFCHFYKSYIQFLR-UHFFFAOYSA-N 515.500 2.034 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 223994995 VAIXNPBDLGQBRA-KRWDZBQOSA-N 505.593 2.133 0 40 KEAB CCc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1 224258262 VQKDPLLDDLIALX-UHFFFAOYSA-N 511.666 2.241 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)cc1C 260737238 KOIDZYFHXDVOBZ-FQEVSTJZSA-N 523.677 2.198 0 40 KEAB CC(C)[C@@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)CCCn2cncn2)CC(=O)N1 643559186 PLEXJLQPBGUUPU-FQEVSTJZSA-N 505.019 2.284 0 40 KEAB CN(C)CCCOc1cccc(C(=O)N2CCC3(CC2)CNC(=O)COc2ccccc2C[C@H](O)[C@H](O)C3)c1 643565309 CDQIRVBUDMTLGG-IZZNHLLZSA-N 539.673 2.103 0 40 KEAB COC(=O)C1=C(N)C(C(=O)OC)=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 20459067 OAZHBBFBSZYWAP-PRDNPTHXSA-N 517.390 2.358 0 40 KEAB CCC[C@H](NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 28387968 BBAWEDCPNXPBQM-ZFZUWWOQSA-N 679.863 2.446 0 40 KEAB biogenic O=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 97982584 DGAPFQIARZGRAW-UHFFFAOYSA-N 568.662 2.399 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 225480007 VIVMPLFTZORVEK-OAHLLOKOSA-N 542.452 2.396 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409043486 MMGFDSPXJCXKMX-WNOSOOIWSA-N 537.594 2.144 0 40 KEAB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)N5CCOCC5)cc4)c(=O)n32)cc1 409168898 OFKMNVHVLIGWIX-GKKFRVOYSA-N 591.686 2.433 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409170516 WCUUSFXHYUUBJD-RBXKPUFLSA-N 607.685 2.053 0 40 KEAB CCc1ccc(S(=O)(=O)NCCN([C@]2(C)CCS(=O)(=O)C2)S(=O)(=O)c2ccc(CC)cc2)cc1 575422668 VUXBDNFEZBUSFD-HSZRJFAPSA-N 528.718 2.358 0 40 KEAB CC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@@](O)(COc2ccccc2)C1 585281163 WWHWOOUANPSUDO-LJAQVGFWSA-N 538.645 2.260 0 40 KEAB COc1ccc(CN2CCCN(C(=O)[C@@H]3CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N4CCC[C@@H]4COc4ccccc4C(=O)N3)CC2)cc1 643575254 MWCIJUOYNBMNLR-XNAGGRMISA-N 761.965 2.446 0 40 KEAB CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(F)cc2)CCC(=O)N(C)CC(=O)N1 643578759 PKKGYOQCIQAZCS-XZOQPEGZSA-N 526.609 2.055 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@H]3CC[C@@]12C 2060999626 RWXIFXNRCLMQCD-ZVDBLQAASA-N 785.025 2.149 0 40 KEAB COCCNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1OC)C(=O)c1snc(C(N)=O)c1N 6904939 RFXNFKJFVBLHEZ-HXUWFJFHSA-N 515.567 2.118 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1C 32996105 AWZKVCAIQJIOIY-UHFFFAOYSA-N 521.661 2.364 0 40 KEAB CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)O)C(C)C 37319613 CEDTWGRUDCMCSJ-YTFSRNRJSA-N 522.602 2.230 0 40 KEAB biogenic O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(Oc2ccccc2)cc1 101264805 AWIWBUQSBYIZMN-DEOSSOPVSA-N 545.596 2.186 0 40 KEAB O=c1cc(CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)nc2sc(-c3ccccc3F)nn12 102350233 NGYQFLMKIDTVJY-UHFFFAOYSA-N 543.631 2.468 0 40 KEAB CCCN1CN([C@H](C(=O)N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)O)c2ccccc2)CSC1=S 104297974 DXSWMQGENGTFMW-YIOZNXECSA-N 508.691 2.320 0 40 KEAB Cc1ccc(C)c(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1 224229976 UPDAZSVAXKNYSS-UHFFFAOYSA-N 511.666 2.295 0 40 KEAB CCN1CC(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(F)cc2)CC1=O 643574897 ZHPLYPGJPGVTKX-PXJZQJOASA-N 645.732 2.100 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)c2ccnnc2)CCCCOC[C@@H](O)[C@H]1O 643586562 QLDMJBVXRJOYHD-TWJOJJKGSA-N 546.640 2.164 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(=O)[nH]c1=O 23078199 AJEGCBBHLHWIBN-UHFFFAOYSA-N 506.003 2.104 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)c(=O)[nH]c1=O 38139419 IEWMADCIIXIHDD-UHFFFAOYSA-N 543.646 2.346 0 40 KEAB CC(=O)O[C@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C(=C1C)C2(C)C 70666087 WPPPFZJNKLMYBW-AHMYHPRYSA-N 630.687 2.015 0 40 KEAB biogenic CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(C)c(C)c(=O)oc3c2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 70691608 PVMMAVRPFKDKTI-WLPYWIPGSA-N 534.514 2.180 0 40 KEAB biogenic CCCn1nnc(NC(=S)NC(=O)c2cc(I)ccc2I)n1 100340258 NLBMLASTZNXQSI-UHFFFAOYSA-N 542.144 2.419 0 40 KEAB CCOC(=O)c1c(NC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)sc2c1CCCC2 101170402 VBXTZRIJUOTCTN-IOMROCGXSA-N 541.575 2.100 0 40 KEAB CON(C)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)ccc1Cl 102900000 NNVQWXUSBPFONF-UHFFFAOYSA-N 547.771 2.250 0 40 KEAB CC1(C)C[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@](C)(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 150480157 CUHVRZXBQZGONF-HVIPQOSHSA-N 676.858 2.473 0 40 KEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 223752466 ZALJYQNPHHLXPE-UHFFFAOYSA-N 506.533 2.216 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409388572 MPBPLVKPGMMGDY-NPJIAGGLSA-N 591.642 2.095 0 40 KEAB Cn1ccnc1CN1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](CNC(=O)[C@@H]2C1)O3 514287377 MYBOLXHLBZZYEJ-GEMTWJNPSA-N 580.730 2.114 0 40 KEAB Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643578717 GYQUOGRFIREVBS-BJKOFHAPSA-N 538.645 2.060 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(Cl)c1 19818636 KWOGLKKDVZRRNS-OAQYLSRUSA-N 504.418 2.471 0 40 KEAB COc1ccc(/C=C/C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1OC 32744877 SDWYYWMFQMIJCF-JXMROGBWSA-N 502.589 2.410 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@]1(C)O 85867257 KYTWXIARANQMCA-JJAVVXTISA-N 748.952 2.047 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408861912 GSCRKYMSOUXRSD-JGTYQCAFSA-N 548.621 2.006 0 40 KEAB O=C(CN1C(=O)N/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O)Nc1ccccc1F 409370001 JCRWBOLWVGUPRV-UNOMPAQXSA-N 561.364 2.357 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O 643573549 QTBBFVFXUBFWSW-HRYCJUHNSA-N 625.742 2.242 0 40 KEAB CCCCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=C(C(=O)OC)[C@H]1c1ccc(OC)cc1 1886314 HPKQRWXTRWYHCJ-DYEBDLIZSA-N 550.633 2.348 0 40 KEAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)N1CCOCC1 12561720 NDSNNULQSQJDSO-UHFFFAOYSA-N 507.634 2.443 0 40 KEAB O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 13129839 HZHPOBJRADMCEQ-FQEVSTJZSA-N 507.620 2.252 0 40 KEAB C[C@H](NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 59981353 YNGSQCZPCOLUSX-ZDUSSCGKSA-N 536.413 2.338 0 40 KEAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 72137990 CMNWWKDTPUBRTE-QFIPXVFZSA-N 538.022 2.297 0 40 KEAB CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CC(=O)O)C(=O)[C@H]45)[C@@H]32)ccc1O 100922659 HUJWUIISPQBVIH-YBNHPJFCSA-N 502.570 2.099 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 257362202 LTMHDMANZUZIPE-WAMRPPHCSA-N 780.949 2.218 0 40 KEAB world O=C(CN1CCC[C@@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)NCCOc1ccccc1 2037879848 UGDQDCCWISFTFH-LJAQVGFWSA-N 520.630 2.149 0 40 KEAB COCCOCC(=O)Oc1ccc(-c2coc3cc(OC(=O)COCCOC)c(OC(=O)COCCOC)cc3c2=O)cc1 2061000463 VJZXLBXDHPHVRW-UHFFFAOYSA-N 618.588 2.165 0 40 KEAB Fc1ccc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc(-n5ccnc5)cc4)CO[C@H]23)cc1 4147886 QWOQMTCLZSOAHF-UWHLTILDSA-N 508.539 2.484 0 40 KEAB biogenic,in-vitro CCOc1cccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2NC(=O)CCCNC(C)=O)c1 9763615 FKPTYVDANPWIMW-QFIPXVFZSA-N 525.631 2.359 0 40 KEAB O=C(NCCCN1CCOCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 35100613 ZUDPFSAWAVGQFZ-NRFANRHFSA-N 510.454 2.177 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N 38144978 GYSZYIBYDQNLEG-HTAPYJJXSA-N 555.588 2.418 0 40 KEAB Nc1c(N(Cc2ccccc2)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)[nH]c(=O)n1Cc1ccccc1 103032888 FLBKKZHABASDHZ-UHFFFAOYSA-N 575.647 2.035 0 40 KEAB O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 103128058 YTKFBXOAKBFJQM-LJQANCHMSA-N 540.019 2.346 0 40 KEAB C[C@@H](CC(=O)[C@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@](C)(C(=O)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@@H](O)C[C@@H](O)[C@@]4(C)[C@@H]3CC[C@@]12C 253623430 NIINJHJECORGKU-NZHNOSISSA-N 666.849 2.099 0 40 KEAB biogenic,in-vitro CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CCC(=O)N2CCC[C@H]2C1=O 643569020 JLHOWUKFWWVRJF-UIOOFZCWSA-N 594.684 2.411 0 40 KEAB NC(=O)c1ccc(NC(=O)CSc2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)s2)cc1 3246184 DYWLQDSZWXZUHL-UHFFFAOYSA-N 502.603 2.198 0 40 KEAB COCCN(C(=O)CSc1nnc2cc(C)c3ccccc3n12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3332362 CWROWDSZJKDQMW-UHFFFAOYSA-N 545.625 2.443 0 40 KEAB COC(=O)[C@H](NC(=O)[C@@H]1C[C@H](NC(=O)Nc2cccc(SC)c2)CN1C(=O)c1cccn1C)C(C)C 4200879 PJUMLGPZGPDERK-DZFGPLHGSA-N 515.636 2.466 0 40 KEAB biogenic,in-vitro CC(=O)Nc1c(I)c(NC(=O)CO)c(I)c(C(=O)O)c1I 4216617 KISFRFNQZTVXGT-UHFFFAOYSA-N 629.914 2.088 0 40 KEAB in-man COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)c1 100626445 UGFDSKRIBKKXLI-MUAVYFROSA-N 597.636 2.494 0 40 KEAB COC(=O)c1ccc(NC(=O)CNC(=O)C[C@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)cc1 524729934 OUEZWHBWDLHMQZ-GOSISDBHSA-N 510.499 2.432 0 40 KEAB biogenic COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cccn3)c2)C[C@](O)(COc2ccccc2)C1 585274184 XGVCKQMRMWIJCE-MUUNZHRXSA-N 524.618 2.071 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 1245668 WHMLGJCAGLJBGY-VVOOWDFBSA-N 508.552 2.351 0 40 KEAB NS(=O)(=O)c1ccc(NC(=O)C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C23CC4CC(CC(C4)C2)C3)cc1 11024091 KIKABDDBQOJOQR-UHFFFAOYSA-N 546.671 2.391 0 40 KEAB C[C@H]1CN(C(=O)[C@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 12546620 ZCGOVPVDYILWKH-BBWFWOEESA-N 504.561 2.440 0 40 KEAB O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCCC1)Cc1ccco1)Nc1ccc2c(c1)OCO2 12710041 DKYMUTRJEHENMS-DHUJRADRSA-N 503.577 2.173 0 40 KEAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 13758042 VEUNLDFQNOXKHA-UHFFFAOYSA-N 515.611 2.106 0 40 KEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 20031482 PASIWWSOBPFSKU-GOSISDBHSA-N 509.650 2.243 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1 20676578 CEEYVPPHSZNQRY-OAQYLSRUSA-N 504.418 2.471 0 40 KEAB CCOc1ccc(OCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 23080148 ZWARULBWAGZZSF-UHFFFAOYSA-N 524.574 2.177 0 40 KEAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1 103019192 RNSNBHFEHBGPBG-UHFFFAOYSA-N 543.646 2.283 0 40 KEAB CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](O)C[C@@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O 118916791 CPFNIKYEDJFRAT-CCHKQRPSSA-N 550.689 2.081 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222917385 RBILMDUNOHBWOX-MRXNPFEDSA-N 510.012 2.431 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 224233298 WXWKFPZTNXQRAH-VWLOTQADSA-N 559.666 2.230 0 40 KEAB Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1C 224287869 VBTYQYSJNGELQH-UHFFFAOYSA-N 509.650 2.049 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 224581747 DHSXIRNEQILPFR-QFIPXVFZSA-N 508.616 2.391 0 40 KEAB COC(=O)CSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3ccccc3O2)s1 225840836 ZFJFVZWMOLMKQR-KRWDZBQOSA-N 536.613 2.407 0 40 KEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 226035428 REMUPNYPBDPUBD-VWLOTQADSA-N 523.611 2.469 0 40 KEAB CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCCCC4)C[C@H]3C(=O)NC[C@H]1O2 253400132 KTTQZUBWUMBYCB-GEMTWJNPSA-N 512.651 2.097 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCN(C)C)cc2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 585280446 NQAOFOMTRBCUPE-SANMLTNESA-N 507.578 2.006 0 40 KEAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13133796 XIQMNPDVCBYRBR-JOCHJYFZSA-N 523.036 2.018 0 40 KEAB CSCC[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)O 38144952 GWTWKCFMOHSIFY-ZEQRLZLVSA-N 561.726 2.446 0 40 KEAB biogenic CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)O 70701383 AMOOGUCKQWDTFG-VJBWXMMDSA-N 522.602 2.230 0 40 KEAB biogenic CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222703432 SJEOWJIFNOJRAM-QHCPKHFHSA-N 561.701 2.435 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 224316117 LDDFBUUZSPDINX-JOCHJYFZSA-N 509.650 2.211 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)o1 245229684 CYYNJBDXZLPTFX-MSYCTHLASA-N 512.567 2.187 0 40 KEAB COc1ccc(N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408589507 ICJHQMPKYFCRDB-UHFFFAOYSA-N 519.601 2.494 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3cccc(C)c3)CC2)C[C@](O)(COc2cccc(F)c2F)C1 585285871 DLFWTGUQNOWPNA-MUUNZHRXSA-N 533.616 2.205 0 40 KEAB COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CNCC2CC2)c1 643584708 IBFHAZVYRCZLGU-UYGYGLPYSA-N 577.763 2.232 0 40 KEAB CCOC(=O)CN(C(=O)Cn1nnc(-c2ccccc2)n1)[C@H](C(=O)NC1CCCCC1)c1ccccn1 6089287 AJXKMFSTANJOLK-DEOSSOPVSA-N 505.579 2.317 0 40 KEAB COc1cc(OC)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1OC 32909995 DDVISXAWAVJOGR-UHFFFAOYSA-N 506.577 2.019 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 100955101 GAXSDVMYRKMXAR-VUDMOXGKSA-N 544.509 2.085 0 40 KEAB COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C[C@H]2CCCO2)C(=O)C[C@H]2C(=O)c3ccccc3S2(=O)=O)c1 245230101 LPZPQBUXWMSZRN-MZAVPQGISA-N 570.664 2.468 0 40 KEAB COc1ccccc1N1CCN(C(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)CC1 409027850 UEYFJTRHZBRPID-UHFFFAOYSA-N 529.400 2.415 0 40 KEAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 6196831 YGILVSXDJCFLJU-RDPSFJRHSA-N 533.589 2.233 0 40 KEAB CCN(C(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32666482 YCVOLFPVELGOFR-UHFFFAOYSA-N 512.950 2.380 0 40 KEAB O=C(N[C@H](Cc1ccccc1)C(=O)O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 70704770 KSILDCMGZRRWHH-ZNZIZOMTSA-N 554.603 2.277 0 40 KEAB biogenic O=C(NC[C@@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(CCN1CCCCC1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 100341538 GMVFPWNFFVTYGC-WNCULLNHSA-N 586.686 2.321 0 40 KEAB COc1cccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 260754563 QQUQCMYVPJCKEV-GOSISDBHSA-N 521.636 2.420 0 40 KEAB O=C(O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408827584 KYRVGCDOWMVBIG-QFIPXVFZSA-N 529.596 2.087 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 408843159 RPEOJNGURBKQHT-MVQVQHCTSA-N 538.578 2.279 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)[C@@H]2CCCCN2)CCCCOC[C@@H](O)[C@H]1O 643551598 YMBTZUCBNXWENF-FICKONGGSA-N 551.700 2.202 0 40 KEAB CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O 643576160 QOYBPJUQGDSTDD-VLSLJKOQSA-N 726.875 2.091 0 40 KEAB O=C1NC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)NCc1ccccc1)CC2 1548888916 CNPOKXIXBVLQGU-FTJBHMTQSA-N 612.749 2.348 0 40 KEAB COc1cccc(NC(=O)N2CCC3(CCOc4cc(-c5cnn(C)c5)ccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)c1 1548890194 NDRBZEWYCRZKAL-NOZRDPDXSA-N 624.720 2.185 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](C)n4cc(Cl)c(C)n4)[C@H]3SC2)s1 2732846 OMERHHWMZXXOBP-JVAXNHSRSA-N 515.042 2.097 0 40 KEAB Cc1c(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(=O)n(-c2ccccc2)n1C 3244988 BVPDNXLCZPVZJH-UHFFFAOYSA-N 518.617 2.129 0 40 KEAB NCCCC[C@@H](C(=O)N[C@@H](CO)C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5706719 ZIAMVTKDQAADQN-SFTDATJTSA-N 501.536 2.021 0 40 KEAB C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc2Cl)C1 13148660 RQQMQFIAGMRLOV-OAHLLOKOSA-N 500.042 2.381 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 19932130 NFBUPBLCSPYLNX-UHFFFAOYSA-N 507.634 2.276 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(Cc2ccccc2)CC1 19973366 WPKNADNJCYHKRO-RUZDIDTESA-N 519.606 2.085 0 40 KEAB CC/C(C)=C/CC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@H]3C[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@H]12 263637961 QOVKKEKBURQILF-BUFJYVDQSA-N 785.025 2.147 0 40 KEAB O=C(COc1ccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)cc1)Nc1cccc(Cl)c1 408581402 SWVNUTGNVJUWAG-GOSISDBHSA-N 500.983 2.159 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409391057 XQFUMJPXKDXREG-NPJIAGGLSA-N 591.642 2.095 0 40 KEAB CSc1cccc(NC(=O)N[C@H]2CCN(C(=O)c3cccn3C)[C@@H]2C(=O)N[C@@H](Cc2cccs2)C(N)=O)c1 4200969 UQNIDKXKOZFMHR-ONTIZHBOSA-N 554.698 2.426 0 40 KEAB biogenic,in-vitro COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 6136204 PHJZQTTXOFOAPO-HSZRJFAPSA-N 562.608 2.294 0 40 KEAB CCSc1nnc(NC(=O)CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)s1 11758321 CEUHCFXDOQQKRK-UHFFFAOYSA-N 507.648 2.450 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 100288915 WNXJSNKGBUIQKJ-AREMUKBSSA-N 551.648 2.298 0 40 KEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 260830729 REMUPNYPBDPUBD-RUZDIDTESA-N 523.611 2.469 0 40 KEAB C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@]3(C)C(=O)C[C@]3(C)[C@H]([C@](C)(O)C/C=C/C(C)(C)O)CC[C@@]43C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 1534688763 NSUQGQVHWQJWMJ-FHUUVKSISA-N 780.993 2.276 0 40 KEAB O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)Nc1cccc(Cl)c1)CC2 1548890360 OQDOCQLGKUISHR-RPWUZVMVSA-N 634.155 2.266 0 40 KEAB COc1ccc(C(=O)OCC(=O)NC(=O)[C@H]2COc3ccccc3O2)cc1S(=O)(=O)N(C)Cc1ccccc1 2626524 HXDQIPNBLMRGNE-HSZRJFAPSA-N 554.577 2.156 0 40 KEAB Cc1nn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=O 6142272 GWMZKXRYVUGEPF-CONSUNNSSA-N 571.542 2.446 0 40 KEAB CCCC(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 9764212 KKLYRJWXCSPLBW-XMMPIXPASA-N 501.605 2.004 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 20460063 REZRNVQJRJUVEP-UHFFFAOYSA-N 503.549 2.163 0 40 KEAB CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC(C(=O)O)CC1 38140000 LWAZYQRMPVPLEJ-ZEQRLZLVSA-N 534.613 2.328 0 40 KEAB biogenic CS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)n1 98046979 JVZGIRRJGLQDFW-CYBMUJFWSA-N 522.830 2.126 0 40 KEAB COc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)N1CCCCCC1 222926455 BOVZNKMFCRGXAK-UHFFFAOYSA-N 509.650 2.277 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 224023378 HLMDHJDCLIMSSS-QGZVFWFLSA-N 507.609 2.032 0 40 KEAB COc1ccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 224478198 MPBGBMNCEVLSJA-GOSISDBHSA-N 501.605 2.419 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 224569088 CJEJJYVYDTYVOF-NRFANRHFSA-N 521.636 2.422 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3c(C(N)=O)oc4ccccc34)cc2)CC1 4177346 XCXDUDFHQKFBNL-UHFFFAOYSA-N 500.533 2.247 0 40 KEAB CCOC(=O)CN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 6546210 GQIMSYNKVIBIQB-IBGZPJMESA-N 505.572 2.159 0 40 KEAB CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 12640541 IDOIFDKKYYSYDJ-OAQYLSRUSA-N 507.056 2.096 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c(=O)[nH]c1=O 23079616 BHBWMYALYVIUOM-QZTJIDSGSA-N 535.667 2.020 0 40 KEAB COc1ccc(CNC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)cc1OC 101354056 PCHRLGWAIXTXIV-UHFFFAOYSA-N 534.569 2.302 0 40 KEAB O=C(Cn1cc(I)c(=O)c(I)c1)N1CCN(c2ccc(O)cc2)CC1 102210384 SFGMJPJVDQRQGV-UHFFFAOYSA-N 565.149 2.112 0 40 KEAB CN(c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)S(=O)(=O)c1ccccc1 224445661 FXMIXQLKPGWIIX-UHFFFAOYSA-N 559.666 2.341 0 40 KEAB C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224456572 GHBZBQMJQDOTLS-MRXNPFEDSA-N 580.512 2.364 0 40 KEAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)ccc21 225731523 BYGHPRDEMZFQGL-UHFFFAOYSA-N 527.646 2.303 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccc(C)cc3)CC2)C[C@@](O)(COc2cccc(F)c2)C1 585283156 QJZFNQUGCWELPB-NDEPHWFRSA-N 515.626 2.066 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 642883055 VOWJAFYNABYJKY-DZXOENKOSA-N 785.025 2.149 0 40 KEAB C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)C[C@](C)(O)CC(=O)O)O[C@H]2O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@]3(C)C(=O)C[C@]3(C)[C@H]([C@](C)(O)C/C=C/C(C)(C)O)CC[C@]43C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 1534688788 QHNUTPIUYCONRY-ZPIGNRQSSA-N 925.119 2.442 0 40 KEAB CSCC(=O)N1CC[C@H](NC(=O)Nc2cccc(SC)c2)[C@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O 4200991 NBADJLMDNHFSOA-VWPQPMDRSA-N 529.688 2.075 0 40 KEAB biogenic,in-vitro CC[C@H](C)N(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@H]1CCS(=O)(=O)C1 23080655 JMBOKOCQFJPQRB-FPOVZHCZSA-N 528.693 2.062 0 40 KEAB CN1CC[C@@]23c4c5cc(-c6cc7c8c(c6O)O[C@H]6[C@@H](O)C=C[C@H]9[C@H](C7)N(C)CC[C@]896)c(O)c4O[C@@H]2[C@H](O)C=C[C@@H]3[C@@H]1C5 85531689 FOJYFDFNGPRXDR-NPVYHFNRSA-N 568.670 2.377 0 40 KEAB biogenic,in-man CN1C(=O)N(C)C(=O)C(Cc2cn(C)c3ccccc23)(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O 100745425 IYOUFVAUJIPHDU-OALUTQOASA-N 501.587 2.039 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2cc(Br)c(N)c(Br)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 150413215 RAQHNWWPQJUHKT-FAJAVTLNSA-N 655.318 2.163 0 40 KEAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 216363740 YHBLPXSMURUYGO-QGZVFWFLSA-N 510.638 2.261 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(N2CCN(C)CC2)cc1 225868629 JHEUPPIQSHKRNH-UHFFFAOYSA-N 502.637 2.039 0 40 KEAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 226086729 YWZKPVPCXVEQJN-IBGZPJMESA-N 523.677 2.286 0 40 KEAB Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCCn3ccnc3)CCO2)ccc1Cl 585287529 YMNHMXLFDRMUNX-SANMLTNESA-N 518.058 2.466 0 40 KEAB Cn1c(=O)oc2cc(NC(=O)CN3CCC[C@]4(CC=CCOc5ccccc5C(=O)NCCNC4=O)C3)ccc21 2037879761 OQTONSWVMHMHHZ-GDLZYMKVSA-N 547.612 2.037 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 26111184 WHJJQINLDDAYDI-HXUWFJFHSA-N 501.605 2.169 0 40 KEAB CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)O 70700933 HDRNVJCXWPFIKE-HJOGWXRNSA-N 547.612 2.321 0 40 KEAB biogenic Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](C)Cn4nc(C)c(Cl)c4C)[C@H]3SC2)s1 97947832 AOCKKLGPVFUIDD-JVNDIYRMSA-N 543.096 2.480 0 40 KEAB COC(=O)C1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 113632256 ARFOHGNISUNAON-UHFFFAOYSA-N 536.603 2.328 0 40 KEAB CCOC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@]4(O)C[C@@H](OC(C)=O)C[C@H]5OC(C)(C)OC[C@]54[C@H]3[C@H](O)C[C@]12C 119224688 LGDAHNTXQYCQII-BTNWEDANSA-N 510.624 2.082 0 40 KEAB C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O 224409519 VZYOUAYWOBJHLH-GOSISDBHSA-N 527.640 2.350 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 225452001 WVIWGVZDUYLSBN-HNNXBMFYSA-N 542.452 2.396 0 40 KEAB C[C@H](Cn1cccn1)N(CC(=O)N(C)C[C@H]1COc2ccccc2O1)CC(=O)N(C)C[C@H]1COc2ccccc2O1 245224672 BFCRPOMEGTXNOB-SGNDLWITSA-N 563.655 2.170 0 40 KEAB CCN1C[C@@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@@]1(O)[C@H]2OC 247943032 NWBWCXBPKTTZNQ-FNQYLKCKSA-N 584.710 2.222 0 40 KEAB biogenic Cc1c([C@H](C)[C@@H]2NC[C@@H](C)C[C@@H]2O)ccc2c1C[C@@H]1[C@H]2CC=C2C[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@]21C 253594647 WXQHVBNTINGJJR-XFOZJINDSA-N 571.755 2.419 0 40 KEAB biogenic,in-vitro CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](C(=O)NCCc2ccccc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643572580 FAUQVDIMJUSKSP-ARFQCTDUSA-N 641.769 2.299 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C 6546633 PBVGYLJOVSVCDO-JOCHJYFZSA-N 555.613 2.217 0 40 KEAB COc1ccc(CNC(=O)Cn2c(=O)n(-c3ccc(CC(=O)NC4CC4)cc3)c(=O)c3ccccc32)cc1 35377836 WLIOPYSSRJOHIV-UHFFFAOYSA-N 512.566 2.299 0 40 KEAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CC1 70700082 AKEBDWOVXLNCKY-LQGLAIQGSA-N 559.685 2.444 0 40 KEAB biogenic CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70707202 FTDFZNRHHKQKDE-SDHOMARFSA-N 574.659 2.134 0 40 KEAB biogenic COc1cc(C(=O)NC[C@H]2OCCc3ccccc32)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 79183237 MDJQNVLLOYHRIM-QNLYJVETSA-N 643.642 2.201 0 40 KEAB biogenic CCC(=O)O[C@H]1[C@H](O[C@H]2[C@H](C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O)[C@@H](C)O3)[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)C(=O)[C@@H](C)C[C@]2(C)O)O[C@@H](C)C[C@H]1N(C)C 85911535 LDPQBQHLRNRTEU-JAANFJMDSA-N 775.974 2.356 0 40 KEAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl 100096420 WBGCGPHMWUOEMF-OAHLLOKOSA-N 532.040 2.163 0 40 KEAB O=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 101093649 CRRZNWXROVAHOH-UHFFFAOYSA-N 529.391 2.306 0 40 KEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)n1 140137342 BJKGWRMCFCHHEX-KRWDZBQOSA-N 561.642 2.459 0 40 KEAB COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)c2ccccc2O1 222568551 BULQIBSBGBUALU-IERDGZPVSA-N 504.561 2.072 0 40 KEAB C[C@@H](C(=O)NCc1ccncc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222857145 YPDRDVGUTKRWLO-NRFANRHFSA-N 570.643 2.354 0 40 KEAB Cc1ccc2[nH]c(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c(N)ncnc53)CO4)nc2c1 257203265 APGXMTNDDLDYFF-KBMIEXCESA-N 504.595 2.300 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)C(C)(C)[C@H]3CC[C@@]12C 2060999624 RWXIFXNRCLMQCD-XKAKOUFHSA-N 785.025 2.149 0 40 KEAB COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)ccc1OCC(=O)N1CCOCC1 95570617 QSOTULWFJAOVOG-UHFFFAOYSA-N 545.658 2.203 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)c(OC)c1 100274938 QLYZSKSWVJFALG-QVKFZJNVSA-N 543.602 2.426 0 40 KEAB CCOC(=O)C1=C(COC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(OC)cc2)NC(=O)N[C@H]1c1ccco1 102220467 QIUYPJULCGOZEK-UTKZUKDTSA-N 567.642 2.103 0 40 KEAB C1CC[C@@H](OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@@H]2CCCCO2)OC1 150695911 KQTDEIPVSPHYFD-NCRNUEESSA-N 891.099 2.322 0 40 KEAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 223389073 MONGAWPTRITVDW-FQEVSTJZSA-N 507.609 2.032 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223870903 KKVYPRVSRKRXOV-KRWDZBQOSA-N 507.584 2.306 0 40 KEAB COc1ccc(Cc2nn3c(=O)/c(=C/c4cc(Br)c(OC(C)=O)c(OC)c4)sc3nc2=O)cc1 2426222 YLUMZKATZUBIQW-ODLFYWEKSA-N 544.383 2.355 0 40 KEAB CC(=O)O[C@H](C(=O)Nc1ccc(F)cc1)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(F)cc1 8429877 HYVFXXNGZULTPQ-ZJZGAYNASA-N 564.494 2.269 0 40 KEAB O=C(COC(=O)/C=C/c1cnc2ccccc2n1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 12531753 KBOJRQAYIBORPI-VMPITWQZSA-N 516.963 2.499 0 40 KEAB COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)N1CCCCCC1 20033306 BDOOBHPIDWZUML-UHFFFAOYSA-N 509.650 2.440 0 40 KEAB CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 70670153 ZFKVWNUPWMEURA-KCYOCBRTSA-N 557.552 2.079 0 40 KEAB biogenic CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 95557720 MTLMDZJUGDUTCP-PTGPVQHPSA-N 540.669 2.247 0 40 KEAB in-vitro COc1ccc(CCN2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc(Br)c(C)c4)CC3)C2=O)cc1OC 102922307 HLTLKCWMUWGTTI-NRFANRHFSA-N 580.501 2.451 0 40 KEAB COC(=O)c1ccc(CN2CCN3C(=O)c4ccc(-c5cnn(C)c5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 253396124 DDJCYLXILMCRAQ-UTDCNRKPSA-N 617.703 2.008 0 40 KEAB CC(=O)O[C@H]1C2=C(C)[C@H](OC(C)=O)C[C@@](O)([C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@]3(C)[C@H]1O)C2(C)C 257609498 WPPPFZJNKLMYBW-SCEKTDNNSA-N 630.687 2.015 0 40 KEAB biogenic CC(=O)Nc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 409143031 MPUMLTMVHMEAHD-DEOSSOPVSA-N 542.639 2.348 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCCCC3)cc2)CCC(=O)N(C)CC1=O 643569075 KQQHLHAMRDWOPD-SANMLTNESA-N 563.699 2.177 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC2CCOCC2)CC(=O)N[C@@H](CC(C)C)C1=O 643585277 VDYYRMQHWLCBMA-ZEQRLZLVSA-N 544.693 2.270 0 40 KEAB COc1ncccc1CN1CCC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548890598 UDHKSWXSOASTRV-RPBOFIJWSA-N 600.738 2.042 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 2063869 FVHQYDTXFYXEAA-RKKARLDVSA-N 517.563 2.070 0 40 KEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3cccnc3)C2)cc1 4150081 LCVRWGNMFSLHFL-PKOBYXMFSA-N 507.572 2.262 0 40 KEAB biogenic,in-vitro O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1 12564960 IMUWEGVKDSGIIS-UHFFFAOYSA-N 514.025 2.398 0 40 KEAB COc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 38151079 SDNOQCBVTMZNMS-UHFFFAOYSA-N 529.537 2.375 0 40 KEAB CCCn1cc(C(=O)N2CCN(CC)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 67337635 LCEOVDMWOORGLT-UHFFFAOYSA-N 509.076 2.235 0 40 KEAB CCOC(=O)/C=c1\s/c(=C/c2ccc(OC)c(OCC)c2)c(=O)n1CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 97993901 RWDMKFHQXCSUST-IMWSYUHLSA-N 516.660 2.430 0 40 KEAB CN1CCC(N2CC(=O)N3CC[C@@H](CC(=O)N4CCN(C)CC4)[C@@H](/C=C\COc4ccccc4C2)C3)CC1 514287607 QFBQIGWKCXLDAK-OXOOYNAKSA-N 523.722 2.160 0 40 KEAB O=C1C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)N1 643566809 ZBTFMODKQWTUJM-RDAHNBDFSA-N 667.763 2.430 0 40 KEAB COc1cccc(CCCNC(=O)[C@@H]2CC(=O)NC3(CCCC3)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)c1 643573621 ZZWGXLKIZVBGAP-DCABOPQKSA-N 649.789 2.400 0 40 KEAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)NC3(CCCCC3)C(=O)N[C@H](C(C)C)C(=O)NCCOc3ccccc3C(=O)N2)cc1 2037916321 MVNWAWGZRTYHSP-LITSAYRRSA-N 635.762 2.011 0 40 KEAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3n[nH]cc3I)cc2)s1 2105017 KFVQAZRKCYXLCI-UHFFFAOYSA-N 504.335 2.481 0 40 KEAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2OC)cc1 12541763 CXHMNAFNDBLAGG-UHFFFAOYSA-N 510.528 2.147 0 40 KEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(S(C)(=O)=O)ccc4n3C)cc2)C[C@@H](C)O1 17247113 VNSFOMHSWBLRQL-DONQTUDOSA-N 523.658 2.182 0 40 KEAB CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 98045781 WXTVBKVASUCGBD-RUZDIDTESA-N 558.657 2.019 0 40 KEAB CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F 245240936 VHFJTWKDAGBIQF-XBDAJRGFSA-N 503.392 2.242 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C2CCCCC2)cc1OC 409005781 VUMOAYMDHCPVGZ-UHFFFAOYSA-N 511.622 2.313 0 40 KEAB O=C1CC[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccc(O)cc2)N1 643567011 PLFUQTWTXSJUCE-CONSDPRKSA-N 657.768 2.046 0 40 KEAB COC(=O)C1=c2s/c(=C\c3cccc(OC)c3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(OC)c1 1788610 GNFZEPVGTQAPIK-HDMRQQGGSA-N 590.679 2.436 0 40 KEAB Cn1c(N)c(C(=O)COC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c(=O)n(C)c1=O 3360908 DDOJOVCRVIOJOB-UHFFFAOYSA-N 540.989 2.086 0 40 KEAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)Nc1c(F)c(F)c(F)c(F)c1F 16035358 SAJDQXADUCRJMA-UHFFFAOYSA-N 512.384 2.338 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OC)CCN(C)C4)cc2)CC1 38139091 VQOJSWWPSRQZNU-UHFFFAOYSA-N 550.659 2.238 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc4c(c3)OCCO4)S(=O)(=O)c3ccccc3)CC2)cc1 100082527 NQPBLYKATFDXBR-UHFFFAOYSA-N 571.677 2.495 0 40 KEAB COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)c1 408656241 MYLFDDVULXKQBD-IBGZPJMESA-N 541.557 2.192 0 40 KEAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\[C@H]4C(=O)NC(=S)N(c5ccc(Cl)cc5)C4=O)c(=O)n32)cc1OCC 408938061 ROVPMUDBVQLXFA-XJCUSZMCSA-N 641.127 2.485 0 40 KEAB CC(=O)N1CCN(Cc2ccc(OCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 585278854 ALRIIAQNVJGEQQ-LJAQVGFWSA-N 538.645 2.178 0 40 KEAB COc1ccccc1OCCN(C)C(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1 643579321 YIVJGKKAMLJKEF-UIOOFZCWSA-N 602.688 2.299 0 40 KEAB Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@@H](C)C(=O)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C 6144532 SVZLCNWXVYKVOS-KRWDZBQOSA-N 563.032 2.343 0 40 KEAB CCc1cccc(CC)c1-n1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1cccnc1 8687335 BXRNNFRHQDMXKC-UHFFFAOYSA-N 505.604 2.409 0 40 KEAB aggregator CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](C(=O)O)[C@H](C)O 8791051 BRXJCHCIHOYONE-JBACZVJFSA-N 519.639 2.436 0 40 KEAB biogenic CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1 20489087 MQMQZNARDIYHHQ-MRXNPFEDSA-N 519.605 2.469 0 40 KEAB COc1ccc(/C=C/C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c(OC)c1 32859676 LWGWBAWUZYVOQO-JXMROGBWSA-N 502.589 2.410 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 59838410 PVVCMVDYWQIDJJ-HXUWFJFHSA-N 538.047 2.202 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 60028559 LOROVJVKMCZXNM-QFIPXVFZSA-N 535.688 2.321 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)C2)cc1 60028824 NAMNFAPBKHTRFK-KRWDZBQOSA-N 531.616 2.325 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 224425504 USCNHGKAYIPVBJ-OAQYLSRUSA-N 535.688 2.457 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OCc2ccccc2)cc1 224450845 TVQWXNCLJVNVEC-UHFFFAOYSA-N 603.719 2.248 0 40 KEAB CCCC[C@@H](C(=O)N1CCN(C(=O)[C@@H](CCCC)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 245238357 LMDFRCCDJMVENG-HVDVUWBRSA-N 604.748 2.389 0 40 KEAB CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 257371158 LPLVUJXQOOQHMX-QWHWTUAGSA-N 822.942 2.246 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 408861487 BIYURADYGPSWCL-SEXPAEGTSA-N 578.647 2.015 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOC)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643585151 RDMRVOKCCISCJR-DQEYMECFSA-N 552.672 2.029 0 40 KEAB C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2[C@]1(C)O 1903857768 LARPFJIXBULVPK-OLKWSRGASA-N 650.850 2.435 0 40 KEAB biogenic CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OCC)cc1 6601040 ONDIMGLOIUORFZ-OAQYLSRUSA-N 543.577 2.429 0 40 KEAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CC(=O)O)C(=O)[C@H]45)[C@H]23)cc1OC 100864304 ACVICMKIVRMSAI-JRMPAOMDSA-N 502.570 2.012 0 40 KEAB CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2C[C@@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]45O)[C@@]3(C)[C@H](O)C2)[C@H]1O 118925483 DKYDBQQIQAPGMH-IXOFHJGXSA-N 550.689 2.081 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1 222563794 MYFYTNBPTXGQOT-OAQYLSRUSA-N 507.678 2.416 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 222969883 RKXPNPPWYWTALK-QGZVFWFLSA-N 507.584 2.306 0 40 KEAB O=C(CNC(=O)CNC(=O)OCc1ccccc1)NCC(=O)Nc1ccc(Cl)c(Br)c1 408997229 CZWURYBVSSCIJG-UHFFFAOYSA-N 511.760 2.200 0 40 KEAB O=C(O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1I 409130587 IGLRFMBSZHNVAJ-NTUHNPAUSA-N 611.208 2.412 0 40 KEAB CCN(CC)CCCNC(=S)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6193100 YWLXOMDIEUGIIC-UHFFFAOYSA-N 517.696 2.040 0 40 KEAB COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6905124 HGJKTSZRSMPSCG-IBGZPJMESA-N 501.540 2.123 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c(=O)[nH]c1=O 12927714 MXFRFBFJQOTQKC-UHFFFAOYSA-N 529.667 2.436 0 40 KEAB CN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccc(Br)cc1 16187611 BRKMXWAPSZQKKV-UHFFFAOYSA-N 510.410 2.143 0 40 KEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 20031397 GRVWCQBKVLTRPD-SFHVURJKSA-N 509.650 2.161 0 40 KEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 20108191 DQTNGFQSEGPAHP-UHFFFAOYSA-N 509.625 2.207 0 40 KEAB COC(=O)[C@@H](O)[C@](O)(CCC(C)C)C(=O)O[C@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4 34002421 CAOHZEUEVKYHPF-JOQJHHFZSA-N 531.602 2.047 0 40 KEAB CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](NC(=O)CCCOc2ccc(Cl)cc2C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 195528839 LBSRZJUTWXANAX-DYRSJPJJSA-N 557.980 2.007 0 40 KEAB CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)[C@@H](O)C[C@@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O 254399782 CPFNIKYEDJFRAT-WUACTXNCSA-N 550.689 2.081 0 40 KEAB biogenic COc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1OC 260822907 CARFPMCAOREQNE-AREMUKBSSA-N 553.637 2.477 0 40 KEAB O=S1(=O)C[C@H](O)[C@@H](N(CCNS(=O)(=O)c2ccc3ccccc3c2)S(=O)(=O)c2ccc3ccccc3c2)C1 575420241 BBHQMJSQCLBCSA-UIOOFZCWSA-N 574.702 2.120 0 40 KEAB CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)c2C(N)=O)C1 8880968 YSABFGJJUNTTEZ-GASCZTMLSA-N 506.650 2.275 0 40 KEAB Cn1c(=O)c2c(SCC(=O)N3CCN(c4ccccc4)CC3)nc(-c3cccs3)nc2n(C)c1=O 9382550 AILWIHSTBONHRS-UHFFFAOYSA-N 508.629 2.197 0 40 KEAB Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccccc3I)CC2)n1 17012602 VINPWXCBFUHQLS-UHFFFAOYSA-N 506.392 2.104 0 40 KEAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCCN2CCOCC2)cc1 222795728 MISBXLINHDGLMK-OAQYLSRUSA-N 565.136 2.437 0 40 KEAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCC(=O)O 409199420 COQOULMBFTYBTK-VIZOYTHASA-N 569.283 2.434 0 40 KEAB CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O 643574895 ZGCCYNGRANVAEO-VXMNRCMCSA-N 740.902 2.433 0 40 KEAB CCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1373880 JTOUVRJPTRMTOR-UHFFFAOYSA-N 504.547 2.094 0 40 KEAB CC(=O)O[C@@H]([C@@H](COC(=O)c1ccccc1)OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(=O)c1ccccc1)OC(C)=O 5249522 WGARRJKOSNNSQG-POTDNYQPSA-N 558.536 2.427 0 40 KEAB CCS[C@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(=S)[nH]cnc21 5665566 WHXVJAUADCEEAT-DFYYWFRZSA-N 514.582 2.099 0 40 KEAB CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)[C@H](CC)C(=O)NC1CCCC1 6632215 KMCFVPWQNRTADV-HXUWFJFHSA-N 502.616 2.450 0 40 KEAB CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@@H]5C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 8382334 MDPXIRWVLJUABC-NHKVBGOYSA-N 652.866 2.261 0 40 KEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)C1=O 32978479 DLXCGEQEKGWMBO-MHZLTWQESA-N 507.591 2.156 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)cc1 222827678 HXBPMHPRPCAAEX-UHFFFAOYSA-N 530.068 2.343 0 40 KEAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(C(=O)N4CCCC4)c3)n2)cc1OC 223593021 DTBDPJWFBRPQPF-UHFFFAOYSA-N 502.549 2.477 0 40 KEAB CC(=O)N[C@@H]1[C@H](Sc2nnc(-c3ccccc3)n2CC(C)C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 504388897 KPCRYRRUYSHRNL-TZCXNXGPSA-N 562.645 2.349 0 40 KEAB biogenic COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nnc(-c3cccc(C)c3)n2C)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1 643913206 KRRJTFLHLVGIFF-YIPGRGJBSA-N 635.828 2.148 0 40 KEAB COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O 5260474 DMLKUPXKUQREOC-KLCIVUIPSA-N 575.412 2.186 0 40 KEAB CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@@]12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12 9428355 GYXVAKHTXGBYPL-MHZLTWQESA-N 506.511 2.225 0 40 KEAB COc1cc(-c2ccc(NC(=O)NCN3CCOCC3)c(OC)c2)ccc1NC(=O)NCN1CCOCC1 31629177 PNXDXGINBWVLHP-UHFFFAOYSA-N 528.610 2.193 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 97978931 XSOLDPYUICCHJX-QQXJNSDFSA-N 515.713 2.368 0 40 KEAB in-vitro CCOC(=O)C1=C(COC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(OC)cc2)NC(=O)N[C@H]1c1ccco1 102220472 QIUYPJULCGOZEK-UWJYYQICSA-N 567.642 2.103 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1nc(-c2ccccc2C)no1 222846755 RJWKXFWNUQLCKS-UHFFFAOYSA-N 500.577 2.324 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 224256840 NQEFARHGBMTTHZ-IBGZPJMESA-N 548.083 2.339 0 40 KEAB CCCc1nc2ccccc2n1CC(=O)N1CCC2(CC1)C[C@H](n1cnc3c(N)nc(N)nc31)[C@@](C)(O)CO2 257214888 CNWMWXSAGDWRLR-SIBVEZHUSA-N 533.637 2.067 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1 13148855 VDQLCJYUBNKGID-UHFFFAOYSA-N 517.391 2.331 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20456689 ZORROIVOUCGKPL-UHFFFAOYSA-N 516.601 2.297 0 40 KEAB COc1ccc(C(=O)O[C@H]2C=COC=C3C=C4C(=O)N(C)C(=O)C(=O)N4[C@@H]32)cc1Oc1cc(C=O)ccc1O 85593401 APGIPIWYVRPJKL-REWPJTCUSA-N 532.461 2.052 0 40 KEAB biogenic,in-vitro CN(C)S(=O)(=O)c1cccc(NC(=O)Cn2c(C(F)(F)F)nc3c(cnn3-c3ccccc3)c2=O)c1 97982661 KTTPUANZPOBMNT-UHFFFAOYSA-N 520.493 2.490 0 40 KEAB CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1 100876830 QEOHAWCPQCHDLG-BZZOAKBMSA-N 568.699 2.075 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 225479824 DXCOQMJFFAYYIC-OAHLLOKOSA-N 512.426 2.387 0 40 KEAB CC(C)(C)C(=O)COC(=O)c1ccc2c(c1)C(=O)N([C@@H](CCS(C)(=O)=O)C(=O)OCC(=O)C(C)(C)C)C2=O 409184258 WNAVWACCTKBXAL-SFHVURJKSA-N 551.614 2.016 0 40 KEAB Cn1c(N)c(C(=O)CSc2nc(O)c3c(C(F)(F)F)cc(-c4cccs4)nc3n2)c(=O)n(C)c1=O 3248497 WACJJCDSZRPPAS-UHFFFAOYSA-N 524.506 2.432 0 40 KEAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)cc1 20457754 KUPQDTOZBOPHAJ-UHFFFAOYSA-N 519.605 2.308 0 40 KEAB COCCNC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCCc3ccccc3)C(=O)N12 20642892 GTSNOQKBQYLRIF-NRFANRHFSA-N 507.616 2.280 0 40 KEAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59838914 MVOKVVOSVMJGHG-UHFFFAOYSA-N 551.687 2.014 0 40 KEAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 103000468 LPEFLULUZCMRLE-UHFFFAOYSA-N 533.628 2.350 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222931231 LDZIVALUPROCRA-FQEVSTJZSA-N 533.647 2.038 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 225479856 DXCOQMJFFAYYIC-HNNXBMFYSA-N 512.426 2.387 0 40 KEAB CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)COc2ccccc2C(=O)N1 643564946 ORHIIHAHRTZFBX-LFBFJMOVSA-N 557.736 2.230 0 40 KEAB O=S(=O)(c1ccc(Oc2ccc(Cl)cc2)c(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1 645214 HMPIUVKWCAJTDB-UHFFFAOYSA-N 502.998 2.174 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20082853 JRRLLXADPOPUHA-RUZDIDTESA-N 517.590 2.105 0 40 KEAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCCN2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1 38145860 KTDXEJQXZDRABD-QHCPKHFHSA-N 542.706 2.487 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1Cl 59838595 ACCNAMSQIISLHV-QGZVFWFLSA-N 530.068 2.316 0 40 KEAB CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 77268879 CJHYKSSBQRABTM-XJWBRSAFSA-N 650.850 2.435 0 40 KEAB biogenic,in-vitro O=C1NC(=O)N(c2ccccc2)C(=O)[C@H]1[C@H](c1ccccc1O)[C@@H]1C(=O)NC(=O)N(c2ccccc2)C1=O 248074575 ZGGFXENFVZEDGR-MZADTFQBSA-N 512.478 2.274 0 40 KEAB CC1(C)NC(=O)N(CCOc2ccc(CN3CCOC[C@](O)(COc4cccc(F)c4)C3)cc2)C1=O 585279580 DGEYFWMJMKCMPJ-SANMLTNESA-N 501.555 2.177 0 40 KEAB CN(C)CCCCNC(=O)[C@@H]1CCC(=O)NC2(CC2)C(=O)N(C)[C@@H](Cc2ccccc2)COc2ccccc2C(=O)N1 643570281 WGZRGTIQMCMZPM-AHWVRZQESA-N 577.726 2.134 0 40 KEAB CCN1CCN(C(=O)[C@@H]2CCC(=O)NC3(CCCCC3)C(=O)N[C@H](C(C)C)COc3ccccc3C(=O)N2)CC1 643571863 LKCGAICHDNOBHY-ZEQRLZLVSA-N 555.720 2.082 0 40 KEAB CC(=O)Nc1ccc2c(c1)C[C@H](C(=O)NCCCn1ccnc1)[C@@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 1547212375 AAJHCIGYCZMNGR-HGXGVQFASA-N 500.603 2.374 0 40 KEAB COCCn1cnc2c1c(=O)n(Cc1nnc3n1-c1ccccc1SC3)c(=O)n2Cc1ccccc1 13524151 ZBXNIUCQAOSPLC-UHFFFAOYSA-N 501.572 2.289 0 40 KEAB CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)NC[C@@H]4CCCO4)n32)C1 20436932 PMNBHFOWVQNAGR-INIZCTEOSA-N 510.645 2.470 0 40 KEAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 25425011 SXZRVJVPUORWDC-LJQANCHMSA-N 525.583 2.288 0 40 KEAB COc1ccc(-c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 95946465 DWRAQOQYXWUFMX-UXHICEINSA-N 510.634 2.277 0 40 KEAB COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3nn(C)c(=O)c4ccccc34)C2=O)cc(OC)c1OC 97980219 SOEVNADQBVYXGL-CPNJWEJPSA-N 524.555 2.426 0 40 KEAB Cc1c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cnn1C(F)F 102350265 CYFXMAPVYBOOFB-UHFFFAOYSA-N 539.565 2.364 0 40 KEAB O=C1NC(=O)[C@@](Cc2ccc(O)cc2)(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C(=O)N1Cc1ccccc1 136513238 JPFCFKZUOCRZKN-DDFCPOBKSA-N 526.593 2.481 0 40 KEAB COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)cc2C)CC1=O 138920349 JDXSOKAXCJELAW-CQSZACIVSA-N 504.337 2.441 0 40 KEAB O=C(NC[C@@H]1CCCO1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 409332469 FLEHXMBXIQRSEF-PKOBYXMFSA-N 514.385 2.476 0 40 KEAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc1S(=O)(=O)N1CCOCC1 8685477 MOZGGJHVLLYGBC-HSZRJFAPSA-N 520.995 2.075 0 40 KEAB Nn1c(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccc(OC(F)F)cc1 13098247 AWPLZBLXUWRLKM-OAHLLOKOSA-N 501.581 2.311 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 19961935 ZANZXVHJNVBGOS-JOCHJYFZSA-N 518.445 2.467 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70672453 NNWAGEQDNUVUNB-URYJJRPLSA-N 558.536 2.280 0 40 KEAB C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C(=O)CCCc1nc(O)c3ccccc3n1)CC2 643564210 XVFUYRFPYJBKPM-FQEVSTJZSA-N 525.650 2.478 0 40 KEAB CN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCCCCCOc3ccccc3C(=O)N2)CC1 1615157307 KXMWQYSORFQXSW-NSOVKSMOSA-N 591.753 2.478 0 40 KEAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1 20453689 QWIOZUOKIOXUGV-OAHLLOKOSA-N 505.578 2.079 0 40 KEAB CCCn1cc(C(=O)N2CCN(CC)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 67337375 FBHLCLIIZWUMRM-UHFFFAOYSA-N 509.076 2.235 0 40 KEAB CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 223187329 WEHZQMGZASNWJT-HSZRJFAPSA-N 507.628 2.200 0 40 KEAB CC(C)(C)OC(=O)NCCOc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2C[C@@H](n3ccc(O)nc3=O)[C@@H](O)[C@@H]2O)cc1 257253371 JYPNYTOHHVPUFF-BMJBQGFASA-N 594.665 2.478 0 40 KEAB C[C@H]1CN(C2CCN(S(=O)(=O)N3CCOCC3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl 618256491 JECSEHRJFNTWDD-HNNXBMFYSA-N 511.998 2.306 0 40 KEAB COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(=O)O)N[C@@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1OC 2130602 PXJBKSHAMFYIAA-OZLNXOMTSA-N 541.988 2.494 0 40 KEAB biogenic COc1ccc(OC)c(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 12542359 ARVFMBXRQWEPKF-ITHMCKDVSA-N 504.561 2.308 0 40 KEAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NC(=O)[C@H]1COc2ccccc2O1 14357605 SBYVARALHQERSX-VQIMIIECSA-N 506.964 2.218 0 40 KEAB CCS(=O)(=O)N(CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC)c1ccc2c(c1)OCO2 20042480 GYZCADTUESPPTJ-UHFFFAOYSA-N 525.605 2.003 0 40 KEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)n1 20048716 MHDMTLFGGIMFCB-UHFFFAOYSA-N 511.532 2.269 0 40 KEAB COc1ccc(C(C)=O)cc1COC(=O)CCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 24832786 ZLTZULWWKFIJDY-UHFFFAOYSA-N 516.595 2.499 0 40 KEAB CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCN(C3CCCCC3)CC2)CC1 102920240 HPFXCBCNDSXXEM-UHFFFAOYSA-N 544.722 2.420 0 40 KEAB COCCN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 103019203 QJRFPOWOLARLIB-UHFFFAOYSA-N 543.646 2.202 0 40 KEAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 108450850 UNGNSRMJTQHXCK-UGKGYDQZSA-N 587.695 2.358 0 40 KEAB biogenic COc1cc([N+](=O)[O-])ccc1N1N=C(c2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)NN1c1ccc([N+](=O)[O-])cc1 113050929 DVYSLVUKWUHBQL-UHFFFAOYSA-N 580.513 2.113 0 40 KEAB C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222779441 FLSDIGZOCPCBCK-GBXCKJPGSA-N 580.103 2.452 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2OC)cc1 224214785 VBDUYWXFAVPZBO-UHFFFAOYSA-N 577.681 2.345 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224486524 OIVIKCMFHFSBTF-JOCHJYFZSA-N 590.120 2.109 0 40 KEAB CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 253389584 RROGHRHLBLVQSG-LYGDEPNUSA-N 766.966 2.494 0 40 KEAB biogenic,in-vitro Cc1c(NC(=O)CN2CC[C@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)cnn1C 2037879376 SIMUVTRECPSHLU-JIMJEQGWSA-N 562.715 2.348 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C(F)(F)N3CCOCC3)cc2)cc1)C(F)(F)N1CCOCC1 4963346 UKGLPSWYETZFFG-UHFFFAOYSA-N 574.553 2.246 0 40 KEAB CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)[C@H]1CCS(=O)(=O)C1 13013584 XRKQGJVOWUSEFC-DEOSSOPVSA-N 533.716 2.478 0 40 KEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)C2=O)cc1OC 14092858 NRRHXPZOVBPGAF-XMMPIXPASA-N 518.592 2.138 0 40 KEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 20030953 PHDOATKPNLXZPD-UHFFFAOYSA-N 509.650 2.115 0 40 KEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 59930424 VWKFLSGTIKLZAG-UHFFFAOYSA-N 528.967 2.182 0 40 KEAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(C(=O)c3ccco3)CC1)n2CCSc1nc2ccccc2s1 96019764 QGMRXYVDXCRMDB-UHFFFAOYSA-N 537.627 2.381 0 40 KEAB CN1CCN(C(=O)C(Sc2nc(-c3cccs3)cc(C(F)(F)F)n2)C(=O)N2CCN(C)CC2)CC1 104864723 GWLKYQDSVDZCCV-UHFFFAOYSA-N 528.626 2.233 0 40 KEAB O=C(NCCCO)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223437941 FVCADDVIJOUWCD-GDLZYMKVSA-N 599.681 2.494 0 40 KEAB Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1 224435053 UVVXQURAFGJSQK-UHFFFAOYSA-N 573.693 2.406 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 225524110 YIWADXCXEWOHFM-IBGZPJMESA-N 537.660 2.064 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(C(=O)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]34C(=O)O)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 253501125 ZCBRYYRPNSHPER-WWLDBDTOSA-N 794.976 2.409 0 40 KEAB biogenic,in-vitro CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCCC(=O)[C@@H](C)O)NC(=O)[C@@H]2CCCCN2C1=O 1775964278 ZXVFNKFMGQIBFI-KAPZOZIZSA-N 570.731 2.025 0 40 KEAB biogenic,in-vitro Nc1cc(Cl)ccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 12530135 QLRSTDIOVKQQCO-UHFFFAOYSA-N 523.011 2.339 0 40 KEAB NC(=O)C1CCN(C(=O)CN2[C@H]3CCCC[C@@H]3NC(=O)[C@H]2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 54672193 NAZFUABUFZOVAW-SLFFLAALSA-N 524.449 2.158 0 40 KEAB CC1=C[C@@H]2O[C@@H]3C[C@H]4OC(=O)/C=C/C=C/C(=O)OCC[C@@H](C)[C@@H](O)C(=O)OC[C@]2(CC1)[C@@]4(C)[C@@]31CO1 101112353 NLUGUZJQJYVUHS-PHNABLOESA-N 502.560 2.171 0 40 KEAB COc1ccc(CCNC(=O)Cn2cc(I)c(=O)c(I)c2)cc1 102358307 LGCCGTRAKKEHKD-UHFFFAOYSA-N 538.123 2.425 0 40 KEAB O=c1n(C[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c2ccccc2n1C[C@H](O)CN1CCN(Cc2ccccc2)CC1 103559838 LIQWPQFTKPEFJH-MEKGRNQZSA-N 598.792 2.160 0 40 KEAB Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCCC1 224303493 QQVCVNALADLPIG-UHFFFAOYSA-N 521.661 2.373 0 40 KEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1OC 226046044 CPVOSPXXIAIKBX-UHFFFAOYSA-N 523.677 2.483 0 40 KEAB CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CCC(=O)NC(C)(C)C(=O)N1 643571392 KHXZBHOGJLBAFD-SVBPBHIXSA-N 607.752 2.142 0 40 KEAB CC(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@]2(CCC(=O)OC2)[C@]2(C[C@]3(C)[C@H](C)[C@@H]4C(=O)O[C@]5(C)O[C@@]3(O[C@@H]45)O2)[C@H]1C 1772591694 LISOTTMZWIFJFJ-YNJVJGHNSA-N 522.591 2.442 0 40 KEAB CC(=O)Nc1cc(Cl)ccc1S[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4353121 CNMWZCBZVJVEMC-PQZYZXGRSA-N 531.967 2.474 0 40 KEAB NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 20030649 UUKRDFNEEJFACN-UHFFFAOYSA-N 508.021 2.495 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Br)c3C3CC3)[C@H]2SC1 97948564 CPXOKHOGWXQWHX-HNSSDMNUSA-N 581.367 2.405 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 224470645 OLLNSDVEGQTFGF-IBGZPJMESA-N 533.647 2.422 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 224989209 ODZQKBKMMYRHHZ-GOSISDBHSA-N 521.636 2.422 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3C[C@@H](O)[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@@H](O)[C@@H]1O 256103897 JFSXBMIFXZFKHD-SCSPHNSRSA-N 520.663 2.456 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3C(=O)O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409047996 VNUUTSTWVLYPHX-MLJBDGAYSA-N 580.615 2.447 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409048798 PBYBONSFTNXOHA-JPFXZVHCSA-N 526.567 2.342 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(C)cc43)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 409111238 BAHKLVXSXKQSOS-RKKARLDVSA-N 519.579 2.446 0 40 KEAB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccc(Br)cc12 409123719 HRRILXULHNGYTC-ASTMVQESSA-N 549.447 2.272 0 40 KEAB CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 605851692 MDPXIRWVLJUABC-KRRKDGPASA-N 652.866 2.261 0 40 KEAB COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1OC 2690278 RRBGHFIFFLUJMF-UHFFFAOYSA-N 540.573 2.379 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1 6547055 PTKKQVWDIQFTOK-NRFANRHFSA-N 525.587 2.214 0 40 KEAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 20031046 GPKNNIQDFFCPFA-UHFFFAOYSA-N 503.602 2.163 0 40 KEAB CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 97981532 PGZJTGIXIVYUGS-UHFFFAOYSA-N 579.679 2.449 0 40 KEAB COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 138761324 GFVAALWFUMXSIS-ZDUSSCGKSA-N 509.437 2.398 0 40 KEAB O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCCC4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1 253397245 FKOCAHJURPJHOR-JGDRUYDSSA-N 568.715 2.113 0 40 KEAB C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C(=O)O)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C 253500556 AQLCKWUMMOZIEY-STGKCMCCSA-N 794.976 2.265 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 409160258 WOFVHFVEKVHDRG-OXIKZWMZSA-N 577.659 2.045 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3C)cc2)C[C@](O)(COc2ccccc2)C1 585274660 YBHLGDNARSPWIR-MUUNZHRXSA-N 508.619 2.371 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccccc2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O 2037916278 FFGBGATZEAYVPV-SVBPBHIXSA-N 572.662 2.208 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C 6547025 ZIJDHHQBUPAWTD-FQEVSTJZSA-N 513.551 2.339 0 40 KEAB NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N 12473363 CQOMPQLLTKZIAZ-DNVCBOLYSA-N 501.540 2.235 0 40 KEAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c(OC)c1 20237098 AZDVHECLJPLXAW-UHFFFAOYSA-N 511.622 2.283 0 40 KEAB C[C@H](NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1)c1ccc(S(N)(=O)=O)cc1 38140455 FPFRNHJWBOUVPR-MGPUTAFESA-N 529.644 2.247 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](N2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 98005956 GBQHRAGPKCIDLC-LILSUDLASA-N 615.476 2.444 0 40 KEAB COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 100629906 KZLMPSIYXALDMI-LVXARBLLSA-N 567.620 2.498 0 40 KEAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 102887596 DMKASXGSKNFMQH-UHFFFAOYSA-N 568.678 2.480 0 40 KEAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1=O 102896337 OYWDHTMCAMYGMX-HSZRJFAPSA-N 574.965 2.381 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1Cl 224288090 OPZAWDBVFAGQEN-UHFFFAOYSA-N 516.041 2.086 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 224472549 CUSVTCLQOANJBX-UHFFFAOYSA-N 586.132 2.098 0 40 KEAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1S(=O)(=O)N1CCCCC1 224720515 URJODRBQMRTECZ-UHFFFAOYSA-N 503.628 2.117 0 40 KEAB O=S1(=O)NC[C@H](O)CN(Cc2ccncc2F)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2 253397074 FIIHSPXKTPJRCO-ZMKPBNSHSA-N 575.634 2.063 0 40 KEAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C(=O)NCc2cccnc2)c2ccccc2)cc1 260714720 FALMLJPTRUOHGU-VWLOTQADSA-N 510.616 2.368 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 409016758 VPIIOMNTVKZWFI-QEYQTOMISA-N 561.660 2.344 0 40 KEAB COc1ccccc1OCCN(C)C(=O)[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2COc2ccccc2C(=O)N1 643578430 VSZZFPPBTSINGR-QSJFZTKYSA-N 580.682 2.245 0 40 KEAB CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O 927875 FAPBTPZVDUUPCQ-UHFFFAOYSA-N 506.519 2.017 0 40 KEAB COc1ccc(C[C@H](NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(F)cc3F)CN2C(=O)C=C(C)C)C(N)=O)cc1 4200914 RGPGQQPIXDNQJN-TZYHBYERSA-N 543.571 2.243 0 40 KEAB biogenic,in-vitro COc1ccccc1N1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C[C@H]2CCCO2)CC1 6177008 BVMNYEXTYXUNSH-BCHFMIIMSA-N 545.600 2.343 0 40 KEAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c1 12538149 WFRNKQJDKWJDSS-UHFFFAOYSA-N 500.621 2.043 0 40 KEAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)N(C)C)c1 20036788 DWUVPGNIROTGSR-UHFFFAOYSA-N 518.621 2.146 0 40 KEAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)Oc2ccccc21 20456864 AUOLPVMURLEZPS-OAQYLSRUSA-N 502.574 2.438 0 40 KEAB COc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 59607517 IHBZDYOLXLXYFH-OAQYLSRUSA-N 533.551 2.192 0 40 KEAB CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@@]2(O)O[C@@](NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 60027361 UJYGDMFEEDNVBF-FAVGIERESA-N 561.683 2.040 0 40 KEAB C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 102975175 GUADHWARMVBNMG-GFCCVEGCSA-N 591.524 2.375 0 40 KEAB O=C(COC(=O)c1cccnc1SCC(=O)NCc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 103074101 JNKQNLATJKBLKT-UHFFFAOYSA-N 537.550 2.421 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(CCCC(=O)O)C(=O)[C@@H]23)cc(OC)c1O 245225803 QCROTELSISKDDD-AUBBYAQSSA-N 546.623 2.497 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cccn3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 585273360 CWBXHWPXAYZMCK-MUUNZHRXSA-N 560.598 2.350 0 40 KEAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1OC[C@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O 2037879656 JWEXOTLLOQPFGR-ZLTNCQPASA-N 520.026 2.384 0 40 KEAB COc1cc(C(=O)N2CCC(NC(=O)[C@H](Cc3ccc(F)c(F)c3)NC(C)=O)CC2)cc(OC)c1OC 13565670 KADLOMOGKXLTDO-NRFANRHFSA-N 519.545 2.459 0 40 KEAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 20032351 XQDSATOMVRXVAM-UHFFFAOYSA-N 509.650 2.243 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2)CC1)OCO3 20081012 IPPYSNUZSJZWKP-NBGIEHNGSA-N 515.574 2.334 0 40 KEAB CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C\c1ccc(O)c(OC)c1 103101934 GQYKKSPFGLJNCW-XFFZJAGNSA-N 547.630 2.463 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 408714919 YOPXBEYIWSFSOJ-RUZDIDTESA-N 557.650 2.444 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409166905 GCJLFIWRKGLQDY-CTHKJOMYSA-N 664.781 2.367 0 40 KEAB Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCC4(CCCCn5cc(nn5)COCCNC4=O)CC3)cc2n1 643563986 RJQDLYUDJISVKD-UHFFFAOYSA-N 534.543 2.387 0 40 KEAB CSCC[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O 38144916 ZRPCKLCAFOLTCA-ZCKPHKPQSA-N 591.723 2.211 0 40 KEAB biogenic Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc4c(c3)OCO4)S(C)(=O)=O)cc2)n1 59924590 SCNVWUPONGNPAA-UHFFFAOYSA-N 533.588 2.028 0 40 KEAB O=C(NCCCN1CCN(CCCNC(=O)c2cc3ccccc3oc2=O)CC1)c1cc2ccccc2oc1=O 84724451 SOMLGSVIPDNBKQ-UHFFFAOYSA-N 544.608 2.457 0 40 KEAB CCCCn1c(CCC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 103061013 AZLALLTZKUIFTN-UHFFFAOYSA-N 571.656 2.071 0 40 KEAB CC(C)CN(C(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 103477620 XWTLXQNAHYMVTP-YVXWMLCYSA-N 524.618 2.031 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]54)[C@H]23)cc(OC)c1O 245225831 ROLCDTGTILUQPA-SAHQWBPQSA-N 532.596 2.107 0 40 KEAB O=C1NC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccc(F)c(F)c1)CC2 1548889333 GLGCUYSFVRUDTL-NQIIRXRSSA-N 521.586 2.022 0 40 KEAB COc1ccccc1CN1CCC2(CCOc3cc(-c4cnn(C)c4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548890177 MOCYEWUJUIVPTE-RPBOFIJWSA-N 595.722 2.153 0 40 KEAB Cc1c([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)ccc2c1C[C@H]1[C@H]2CC=C2C[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]21C 1857787586 WXQHVBNTINGJJR-GGDYXSTASA-N 571.755 2.419 0 40 KEAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccc(S(C)(=O)=O)c4)o3)cc2)C[C@@H](C)O1 9346709 MYPVBMCDVRPVDR-HUUCEWRRSA-N 520.589 2.190 0 40 KEAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12562401 JSBLGOSAMLXWQE-UHFFFAOYSA-N 521.661 2.453 0 40 KEAB CSCC[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C)C(=O)O 12880939 AYAWCROTMRTKRY-UYILYCRRSA-N 520.611 2.465 0 40 KEAB biogenic CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC(=O)NC1CCCCC1 14359392 KTQGWFNJWMSCLQ-QGZVFWFLSA-N 506.046 2.442 0 40 KEAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 19940748 ANGZKXKIXWDOTK-HYBUGGRVSA-N 517.590 2.396 0 40 KEAB CCOc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)CC)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 36625487 WDFNGIYRGXHCOQ-DEOSSOPVSA-N 501.605 2.004 0 40 KEAB COc1ccc(S(=O)(=O)c2cnc(SCC(=O)N3CCN(c4ccccc4F)CC3)[nH]c2=O)cc1 46016410 KXLIMUWHXOOGTG-UHFFFAOYSA-N 518.592 2.191 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 64704926 KQIAHMAJIDFFKJ-ZSOQTWPFSA-N 568.604 2.288 0 40 KEAB O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 103098487 KKKKEGFQNZOTEO-UHFFFAOYSA-N 579.603 2.456 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225485426 FZABXFCAMWQLBV-CQSZACIVSA-N 526.409 2.107 0 40 KEAB Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCCn3cccn3)CCO2)ccc1Cl 585283383 DVLMWPCRANCLKR-SANMLTNESA-N 518.058 2.466 0 40 KEAB CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O 643564333 CPYGMECDDHWJNT-FVJFVQOASA-N 557.736 2.231 0 40 KEAB CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCCC2)CC(=O)N[C@H](C(C)C)C(=O)N1 643565141 CEKWXQPRWDLNRW-RWCIVJTCSA-N 557.736 2.231 0 40 KEAB CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643573574 YXGWUDMEQNMBRF-DNMLDJFRSA-N 675.758 2.275 0 40 KEAB CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)C[C@@]12C 1529054241 AGBCLJAHARWNLA-WPXAKHBMSA-N 785.025 2.147 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6546694 VYAOGGVFVBOWES-LJQANCHMSA-N 517.514 2.170 0 40 KEAB COc1cc(NC(=O)COC(=O)/C=C/c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)cc(OC)c1OC 8671433 KPKJEDBCGDJSSH-NFAHFFEMSA-N 527.983 2.425 0 40 KEAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(CCC(=O)NCCCN4CCN(C)CC4)nnc23)cc1 20378212 JPWIAUIBQORBSB-UHFFFAOYSA-N 501.635 2.087 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20459529 KSWGFRPHIBHCCL-UHFFFAOYSA-N 507.634 2.276 0 40 KEAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22940533 HYUDQDCYDMSPSQ-LJQANCHMSA-N 500.621 2.345 0 40 KEAB COc1cc(C(=O)N[C@H](C)[C@H]2COc3ccccc3O2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 85867663 ZHZATSUJZMAMLO-FZHAUWNLSA-N 659.641 2.115 0 40 KEAB biogenic COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)c(OC)c1 98044647 XINXQELAKWZJLK-UHFFFAOYSA-N 531.568 2.288 0 40 KEAB COc1ccccc1N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 224335983 HMVDPQBNWTXQQP-UHFFFAOYSA-N 539.676 2.221 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)Cc2ccccc2)cc1OC 226010705 FBYWGGCRCCFEOD-UHFFFAOYSA-N 561.682 2.298 0 40 KEAB O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4Cc5ccccc5C4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1 253395968 CWIQNESXHIKYFH-AUXUOOQGSA-N 616.759 2.338 0 40 KEAB COc1ccc(C(=O)CNCCN(CC(=O)c2ccc(OC)c(OC)c2)[C@@]2(C)CCS(=O)(=O)C2)cc1OC 575422512 LRCLWSGWNXQJCC-MHZLTWQESA-N 548.658 2.255 0 40 KEAB COc1ccccc1C(=O)Nc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1 1339629 AYLBICMRYTUFQE-UHFFFAOYSA-N 515.530 2.179 0 40 KEAB CCOc1ccccc1CC1(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C(=S)N(C)C1=O 2110445 DKNNYRRNKCQRQK-UYAOXDASSA-N 508.644 2.111 0 40 KEAB O=S(=O)(c1ccc(OC[C@H](O)CN2CCCC2)cc1)c1ccc(OC[C@H](O)CN2CCCC2)cc1 10013464 YQZZOJQXOBJQSE-FGZHOGPDSA-N 504.649 2.190 0 40 KEAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)NCCc1ccc(F)cc1 17546275 VPIGKJFHIVVXCS-UHFFFAOYSA-N 533.622 2.353 0 40 KEAB CS(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccc(Cl)cc1 20031061 KYIVWNGVSQGWPB-UHFFFAOYSA-N 500.042 2.203 0 40 KEAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1S(=O)(=O)N1CCOCC1 38753311 OICIWRQZYMHTPM-UHFFFAOYSA-N 516.601 2.464 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)C(C)C)CC2)cc1 102869517 CNCMPPOCHIOPDC-MHZLTWQESA-N 620.794 2.078 0 40 KEAB Nn1c(COc2cccc(Br)c2)nnc1SCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 102900132 VQPFUYRJAGJBEM-MRXNPFEDSA-N 544.497 2.384 0 40 KEAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1S(=O)(=O)N1CCOCC1 223292606 AOHJMQPGFGJHTP-UHFFFAOYSA-N 574.062 2.274 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 224543126 WBPGWDYJHILJAH-JOCHJYFZSA-N 508.616 2.391 0 40 KEAB COc1cccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)C5CCOCC5)[C@@H](CNC(=O)[C@@H]3C2)O4)c1 253398693 HIKCHKWOHCYHON-QZWXMGDUSA-N 620.747 2.380 0 40 KEAB C[C@@H](O)[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O 643568340 ZGMSWQHCJLOZOT-SYAHKCGXSA-N 623.106 2.009 0 40 KEAB Cn1c(N)c(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c(=O)n(C)c1=O 3360289 QRFQCDNVOIIWDD-UHFFFAOYSA-N 509.613 2.281 0 40 KEAB Cc1nn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=O 6142269 GWMZKXRYVUGEPF-WSKLTFMVSA-N 571.542 2.446 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1 6822036 XECIZVPFGRIALJ-QFIPXVFZSA-N 539.614 2.463 0 40 KEAB CCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3cccc(OCC(=O)N4CCOCC4)c3)c(=O)n21 8452792 FRBSHNJVMPCOLQ-OXIKZWMZSA-N 577.659 2.045 0 40 KEAB CCN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930283 QZFJQVNWTRTVNZ-UHFFFAOYSA-N 510.012 2.432 0 40 KEAB COc1ccc(N([C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)S(C)(=O)=O)cc1 20047813 RFCWJMGWWPHLKZ-MRXNPFEDSA-N 511.622 2.282 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4cscn4)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70664947 FTTWZJAWPMLVKX-XDXGNBCUSA-N 575.548 2.378 0 40 KEAB biogenic CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1=O 102896341 PFDWLCDKDYAMDN-QHCPKHFHSA-N 540.976 2.308 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 105367549 NWOGROLFEFUITG-DJOAIXOZSA-N 576.526 2.419 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1I 113633006 HWCNIZNEHTYABH-UHFFFAOYSA-N 536.413 2.303 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 135956636 NWOGROLFEFUITG-IXSXPGEMSA-N 576.526 2.419 0 40 KEAB CN1CC2(CCCCc3ccccc3OCCCC1=O)CCN(C(=O)[C@@H]1COCCN(S(=O)(=O)N(C)C)C1)CC2 643563591 DHPXDXGAPOBBSY-VWLOTQADSA-N 578.776 2.394 0 40 KEAB Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)n1 643574644 GQPGVVWJGZQREF-SUTFFAEESA-N 676.840 2.408 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC 6546709 UOXDSOHRWFWKHY-HXUWFJFHSA-N 529.550 2.039 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)o1 12716833 SVWIVWPCVNQXMN-SVMVAKDDSA-N 514.608 2.347 0 40 KEAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59837379 QSFUGYXTQGQVDZ-UHFFFAOYSA-N 557.694 2.257 0 40 KEAB Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)o1 100274955 AXUSWUCYFWVKBF-BTYIYWSLSA-N 541.586 2.180 0 40 KEAB COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC 100451992 ZPVOPCYTYGSLDM-NRFANRHFSA-N 543.617 2.198 0 40 KEAB COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 102253592 GZDHJDXGLPWMAC-OAQYLSRUSA-N 533.551 2.192 0 40 KEAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)O)c(OC)c2)C1=O 205676718 UBKNTZSQQUUDDL-WUXMJOGZSA-N 521.285 2.363 0 40 KEAB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](CCS(C)(=O)=O)C(=O)OCC(=O)c2ccc(OC(C)=O)cc2)C3=O)cc1 409173046 LCONZMVOTZSZPI-NDEPHWFRSA-N 707.666 2.402 0 40 KEAB COc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1S(=O)(=O)N1CCCCC1 9694766 BIDASABVRIAILM-UHFFFAOYSA-N 528.628 2.260 0 40 KEAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 33002089 VGXXLKYZDWYMAG-UHFFFAOYSA-N 515.613 2.067 0 40 KEAB CC(=O)O[C@H](CCC(C)(C)O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 59229715 YAIZECBIJHIPCU-FORVDKSSSA-N 522.679 2.425 0 40 KEAB in-vitro COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@@H]32)cc(OC)c1O 101175172 QCROTELSISKDDD-KIZIMUKUSA-N 546.623 2.497 0 40 KEAB CCOC(=O)C1=C(COC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)NC(=O)N[C@H]1c1cccs1 103122948 KFIACHCZDDMFKX-IBGZPJMESA-N 528.008 2.484 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1 224221861 RMDNFKSSSUBQOT-UHFFFAOYSA-N 575.665 2.099 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3)c(OC)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1 585273092 ALBQJGLHEMWFIO-MUUNZHRXSA-N 560.598 2.350 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCCC2(CCN(Cc4cccc(F)c4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 1548889654 JWHZITDQVKBHJB-RPBOFIJWSA-N 583.686 2.284 0 40 KEAB CN(C)S(=O)(=O)c1cccc(C(=O)NCc2cccc(CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2)c1 3202852 NDLDQWFGVCGIAQ-UHFFFAOYSA-N 558.682 2.047 0 40 KEAB COCCNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 6905038 AAFRQIKTQYLVMC-NRFANRHFSA-N 522.587 2.465 0 40 KEAB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N2CCC(C(=O)OC)CC2)CC1 12864184 OAWCVDIHMTVSBA-XXBNENTESA-N 521.680 2.338 0 40 KEAB biogenic CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 15940652 ZFGPBICULRBJKA-UHFFFAOYSA-N 515.679 2.289 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 20031197 ULIHUZGALWZRBB-UHFFFAOYSA-N 508.449 2.322 0 40 KEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 20031524 OOAGWLBOHBWNPC-GOSISDBHSA-N 509.650 2.161 0 40 KEAB C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC1)CS2 38152353 ITAQRCMMKIJEOP-KDOFPFPSSA-N 522.874 2.389 0 40 KEAB CC(C)CN(C(=O)COC(=O)COc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 62575355 RHINOJCOGTXDNS-UHFFFAOYSA-N 514.966 2.432 0 40 KEAB COCCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccccc1Cl 100755887 MSIPWYIZZGMAKK-SADKCHQCSA-N 523.998 2.425 0 40 KEAB CCOc1ccc(N2C(=O)NC(=O)/C(=C/NC[C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)C2=O)cc1 104281056 GKQKZFRPUXBSMR-OVCORXIESA-N 508.531 2.108 0 40 KEAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccc2c(c1)OCCO2 113966290 OSWXXOAQNTURNG-UHFFFAOYSA-N 503.577 2.115 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1 224261606 HMRYETTWBWUQDX-LJQANCHMSA-N 544.095 2.327 0 40 KEAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 225051534 HUSKRNIRLPMEGF-IBGZPJMESA-N 505.637 2.456 0 40 KEAB CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F 245240935 VHFJTWKDAGBIQF-UKCJKJFHSA-N 503.392 2.242 0 40 KEAB C[C@@H]1O[C@H](O[C@@H]2[C@H](O)C[C@H](O[C@@H]3[C@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)[C@@H](O)C[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253499045 LKRDZKPBAOKJBT-DXQVSZQHSA-N 780.949 2.218 0 40 KEAB biogenic COCC(=O)N1CCCN(C2CCOCC2)CCN(C(=O)CS(=O)(=O)Cc2ccccc2)Cc2ccccc21 643566270 WATLCUVBVHRSIV-UHFFFAOYSA-N 557.713 2.494 0 40 KEAB COc1cccc(CCNC(=O)[C@@H]2CCC(=O)N3CCC[C@@H]3C(=O)N(C)CC(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)c1 643571527 CISUHMDMPPBEFK-OWPQXHQJSA-N 649.789 2.305 0 40 KEAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c(=O)n(C)c1=O 2627479 CCPZFCQADSMPFY-UHFFFAOYSA-N 575.043 2.230 0 40 KEAB O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1 8672204 RVHWAUFKILUEMJ-BHVANESWSA-N 517.579 2.376 0 40 KEAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 15980259 HIVJMOXQTKVCBX-JOCHJYFZSA-N 509.588 2.444 0 40 KEAB Cc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2cc1C 19940841 ZCKPGLCLCSMFIA-RDPSFJRHSA-N 517.590 2.451 0 40 KEAB CCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)O1 42919878 HVPYLVISSBODEY-CHDZYAHWSA-N 643.826 2.148 0 40 KEAB biogenic COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cc(OC)ccc4OC)nn23)cc1 60209123 SRXDXTQUVNUJHE-UHFFFAOYSA-N 558.642 2.402 0 40 KEAB COc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1I 97940409 KCJWABIGWYKXPP-UHFFFAOYSA-N 574.466 2.363 0 40 KEAB COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)CCc2ccccc2)(C(F)(F)F)C(=O)N3)cc1OC 100147343 RSAIYCJRPJAJTF-RUZDIDTESA-N 546.502 2.255 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cccc(OC)c4n3C)cc2)CC1 100843483 WZKJBPWFEJVHOJ-ZNTNEXAZSA-N 518.617 2.452 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@H](C)C(=O)O)C(=O)[C@H]23)ccc1O 100872403 PZCVHTJSHJYMSA-SFHMJCKKSA-N 502.570 2.097 0 40 KEAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCCCO5)C3=O)cc2)C[C@@H](C)O1 108941225 OOGUZDXXRMUGQB-WNGDZKDKSA-N 572.640 2.052 0 40 KEAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@@H]5C(=O)N(CC(=O)O)C(=O)[C@H]54)[C@@H]32)cc1OC 169678269 ACVICMKIVRMSAI-MYKDLTFHSA-N 502.570 2.012 0 40 KEAB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(OC)c(I)c2)s1 224620974 MWYOEHIHZCFQOF-UHFFFAOYSA-N 501.349 2.217 0 40 KEAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/[C@@H]4C(=O)NC(=S)N(c5ccc(C)c(C)c5)C4=O)c(=O)n32)cc1OCC 408935207 MZKMLWWTQLJHSN-DDMZSYEESA-N 634.736 2.448 0 40 KEAB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1 408962941 WDNSBWYIHHGHJT-HMAPJEAMSA-N 517.542 2.040 0 40 KEAB CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)/C=C/c2ccccc2F)CCCCOC[C@@H](O)[C@H]1O 643551576 VJPNAIJSSANJBC-DPLSBWOISA-N 508.631 2.478 0 40 KEAB COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)NCCCOc3ccccc3C(=O)N2)c1 643565785 NNXHMCDIVMTJJH-RPBOFIJWSA-N 552.672 2.362 0 40 KEAB CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CC(=O)N[C@H](C(C)C)C(=O)N1 643565907 ROCYKYLZVWZWIZ-PNBNRWGDSA-N 621.779 2.388 0 40 KEAB CC(C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)CN(C)C1=O 643569285 ROVAMUPITGJSEI-BDZGNEFQSA-N 667.779 2.065 0 40 KEAB O=C(Cc1ccc2c(c1)CN(Cc1ccccc1)CC(=O)NCCCCCO2)NCCS(=O)(=O)N1CCCC1 643571334 GQVOLMTUZPOUHS-UHFFFAOYSA-N 556.729 2.452 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 6546581 DCJQNGQLECIBCE-HSZRJFAPSA-N 580.623 2.390 0 40 KEAB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 12527382 XPFOVQJQZDJWRL-RUZDIDTESA-N 513.620 2.333 0 40 KEAB COc1cc(C(=O)N2CCC(NC(=O)[C@@H](Cc3ccccc3F)NC(C)=O)CC2)cc(OC)c1OC 13085076 CDQLQWIDPSCHKO-OAQYLSRUSA-N 501.555 2.320 0 40 KEAB O=C(CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1 13496971 KHCZQGOVWBKYAG-HXUWFJFHSA-N 507.634 2.280 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 100072511 NNWAGEQDNUVUNB-UZINISAASA-N 558.536 2.280 0 40 KEAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]45)[C@H]23)cc1OC 100864310 SQEAXPYQNGORDS-HCPZCFLBSA-N 516.597 2.402 0 40 KEAB O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(F)cc2)[C@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F 100868983 NFBPOUUUPVFMIL-GOSISDBHSA-N 518.832 2.007 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4C4CCCC4)NC3=O)O2)cn1 514287622 RGBULYXJUUJVDJ-QIJYUAQKSA-N 537.661 2.010 0 40 KEAB CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCCNC1=O 643567231 VWHHMOIREXKZRP-JYFHCDHNSA-N 522.646 2.354 0 40 KEAB COc1ccc(CCCNC(=O)[C@@H]2CC(=O)NC3(CCCCC3)C(=O)N[C@H](C(C)C)C(=O)NCCOc3ccccc3C(=O)N2)cc1OC 643568279 OCEORXILDVLPAZ-SUYBVONHSA-N 679.815 2.410 0 40 KEAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)c1 20482803 FYEYYJAZEQKQCI-UHFFFAOYSA-N 520.589 2.304 0 40 KEAB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)NCCCN1CCCC1=O 25422181 XGCVXMFVRSDCGJ-UHFFFAOYSA-N 507.996 2.104 0 40 KEAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H](CC(N)=O)N[C@]23C(=O)Nc2ccc(Br)cc23)c1 64164943 SQWAPGHVFYOHHN-OFERSUALSA-N 503.353 2.106 0 40 KEAB CC[C@@]12C=CCN3CC[C@@]4(c5cc(Br)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 64454527 OTYOQSWRKXGMLS-PMXNBCSESA-N 535.435 2.404 0 40 KEAB CN(C)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)cc1 97961158 VVNNVSKIGVSNON-UHFFFAOYSA-N 537.594 2.380 0 40 KEAB Cc1nn(C)cc1[C@@H](C(=O)NC1CCCCC1)N(C[C@H]1CCCO1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 100323431 VJXLDYJYHFPYJN-NLFFAJNJSA-N 557.673 2.071 0 40 KEAB O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NC[C@H]3CCCO3)N2C1=O)NCc1ccc2c(c1)OCO2 102737512 NNBNGUBQKWNUDZ-NQIIRXRSSA-N 563.636 2.499 0 40 KEAB CC1=C[C@@H]2O[C@@H]3C[C@H]4OC(=O)/C=C/C=C\C(=O)OCC[C@@H](C)[C@@H](O)C(=O)OC[C@]2(CC1)[C@@]4(C)[C@@]31CO1 102888475 NLUGUZJQJYVUHS-VXFICXSWSA-N 502.560 2.171 0 40 KEAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)s2)c1 225712761 ZPQRJVUUWVPEKX-UHFFFAOYSA-N 501.590 2.334 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)c1 409367331 SALNJANTRDTPGC-UHFFFAOYSA-N 503.621 2.462 0 40 KEAB O=C1NC[C@H]2O[C@H](CCOc3cc(-c4ccccc4)ccc3C(=O)N3CCN(Cc4ncc[nH]4)C[C@@H]13)CC[C@@H]2O 514287359 HCKUBYVDBPFPTD-WVAUJHLCSA-N 545.640 2.211 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 1245670 WHMLGJCAGLJBGY-JUTHHCEFSA-N 508.552 2.351 0 40 KEAB CCN1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2Cc2ccc(OC)cc2)CC1 20081003 NQHZPJJAFFNXCA-DEOSSOPVSA-N 503.563 2.027 0 40 KEAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59851794 HDCCUILOQNQZSH-UHFFFAOYSA-N 545.639 2.204 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70706887 RRGZMTUXFLOCLF-ZMVGRULKSA-N 554.669 2.327 0 40 KEAB biogenic COc1cc(/C=c2/sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)ccc1O 96913840 QEUQPXVRXITPMN-BYDXSSSESA-N 527.606 2.333 0 40 KEAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 102914612 QBMHKZLRZKYQGC-OAHLLOKOSA-N 523.970 2.136 0 40 KEAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Br)c1OCC(=O)OC 214671998 WUMPVVRFMHULGK-MHWRWJLKSA-N 543.392 2.295 0 40 KEAB COCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223005346 QYTZJJSTOGWKEW-LJAQVGFWSA-N 595.718 2.489 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 225480093 DJJWMABWVSDCRO-OAHLLOKOSA-N 542.452 2.396 0 40 KEAB CCN1CCN(CC(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)CC1 257308477 TWVXBZUTERGFAF-HHHXNRCGSA-N 520.118 2.129 0 40 KEAB Cn1c(COCC(=O)N2CCO[C@]3(CC=CCc4ccccc4OCCNC3=O)C2)nc2ccccc21 1615125811 HCQAABOHHZYUKY-MUUNZHRXSA-N 504.587 2.385 0 40 KEAB COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)cc1 17434294 JARFRINIEDODQO-UHFFFAOYSA-N 588.661 2.354 0 40 KEAB COCCN(C(=O)COC(=O)c1oc2ccccc2c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32666516 MUPSMPNISVRHDB-UHFFFAOYSA-N 506.515 2.058 0 40 KEAB Cc1c(NC(=O)CN2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c(=O)n(-c2ccccc2)n1C 98050545 UYWCWAGXTHXDFS-UHFFFAOYSA-N 547.685 2.418 0 40 KEAB CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N([C@@H](C)C(=O)O)C(=O)[C@H]45)[C@@H]32)ccc1O 100922636 XUUMTQZOYYLJEH-VNTFOGPKSA-N 516.597 2.487 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224486480 OIVIKCMFHFSBTF-QFIPXVFZSA-N 590.120 2.109 0 40 KEAB O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccsc4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1 253408554 YCNAGCVCLZUGTC-JGDRUYDSSA-N 596.750 2.432 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C 253529792 RWXIFXNRCLMQCD-PRSAKGRSSA-N 785.025 2.149 0 40 KEAB biogenic,in-vitro COc1cccc(-c2ccc3c(c2)OCCC2(CCN(C(=O)NC(C)C)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 1548890520 RDAOJACKMZFYRU-VWNXMTODSA-N 586.711 2.337 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C 6547127 DRDRXPOZVCOUHR-NRFANRHFSA-N 525.587 2.209 0 40 KEAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 11867018 NRWWDWSXURLFSF-LGGPFLRQSA-N 541.645 2.209 0 40 KEAB Cc1ccc(C(=O)N2CCN(C(=O)[C@@H](NC(=O)c3ccco3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 12374404 PFZHOMINBAWRTM-DEOSSOPVSA-N 509.584 2.411 0 40 KEAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 12568072 NHRCLUTWPXACRW-CCEZHUSRSA-N 513.554 2.419 0 40 KEAB CCN(C(=O)COC(=O)c1c(-c2ccccc2)noc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13165231 GSTDDUMOPMYQSV-UHFFFAOYSA-N 503.515 2.340 0 40 KEAB Cc1ccc(CN(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 20030680 MQGBQVXDLJXCDF-UHFFFAOYSA-N 501.630 2.458 0 40 KEAB CCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 67337554 ZQXOEUZRGISHIC-UHFFFAOYSA-N 509.076 2.235 0 40 KEAB Cc1ccnc(N2CCN(C[C@H](O)COc3ccc(OC[C@@H](O)CN4CCN(c5cc(C)ccn5)CC4)cc3)CC2)c1 101325741 DZCRYCKXHRGKCQ-NSOVKSMOSA-N 576.742 2.217 0 40 KEAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)Oc3cc(C)ccc32)cc1 224477929 ZPKCEIFPQJALHH-NDEPHWFRSA-N 631.729 2.176 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2)cc1OC 226074603 YYQVDDGCGNZZAJ-UHFFFAOYSA-N 525.649 2.302 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4C=CC4=C6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@@]45C)C3(C)C)O[C@@H](C(=O)O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O 253500792 LXAMCLNOVGHDMD-AOMXORQVSA-N 895.093 2.291 0 40 KEAB biogenic,in-vitro CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ncc[nH]4)C[C@H]3C(=O)NC[C@H]1O2 514287397 VBAXUPCRVHJLQW-FEVSWUGISA-N 566.703 2.104 0 40 KEAB Cc1c(NC(=O)CN2CC[C@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)cnn1C 2037879377 SIMUVTRECPSHLU-NXCFDTQHSA-N 562.715 2.348 0 40 KEAB CCC(=O)OC[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@@H](COC(=O)CC)OC(=O)CC 5063427 JSVBFXLBJJPXRV-XKFBCCIWSA-N 518.556 2.180 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 100072503 NWOGROLFEFUITG-UZINISAASA-N 576.526 2.419 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 225073336 LMNCTBHQVWNDQS-UHFFFAOYSA-N 513.663 2.461 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409152295 DWJCCQCYPNGWQC-YLKQWKBVSA-N 651.738 2.452 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 627973 BZZUZSIWCPGWLK-QCHPHUCNSA-N 508.552 2.351 0 40 KEAB C[C@H](CSc1nnnn1-c1ccccc1)Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 1283343 JLVNJYFXOCIDLX-KRWDZBQOSA-N 517.619 2.464 0 40 KEAB CC(C)CN(C(=O)CN(C)C(=O)Cc1ccc(Br)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32972017 JJQYUPMWFFACGA-UHFFFAOYSA-N 522.444 2.227 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 222801028 MTKBTUYETJDDEY-OAHLLOKOSA-N 559.426 2.229 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N([C@H](C)C(=O)O)C(=O)[C@@H]54)[C@H]23)cc(OC)c1O 245225852 UQLSDJKSMCWMSD-AZXHWIPQSA-N 532.596 2.106 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccc(C)cc1 409077504 FRSVQRJKHYFASD-CVGPFBNFSA-N 502.596 2.297 0 40 KEAB COC(=O)COc1c(I)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC 409398707 CAYXOYRCAQRVMQ-AUWJEWJLSA-N 570.292 2.324 0 40 KEAB CS(=O)(=O)N1CCN(C(=O)c2cccc3c2CN(Cc2ccccc2)CC(=O)NCCCCCO3)CC1 643575141 GZQQRACJJDPAOE-UHFFFAOYSA-N 528.675 2.085 0 40 KEAB Cc1ccccc1OCCN(C)C(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1 643578645 CPWFNMOBXYEIIR-RPWUZVMVSA-N 552.672 2.403 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@]2(C)C[C@@H](C)C(=N[C@H](C)[C@@H](O)[C@]1(C)O)O2 1534514527 BPENQAXMHXRNMD-CWNRYYEMSA-N 730.937 2.405 0 40 KEAB biogenic Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccc(F)cc1 1839118 GABCRYDSAMHURE-HSZRJFAPSA-N 515.423 2.312 0 40 KEAB C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](OC(=O)C[N+](C)(C)C)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 8789534 KFPMAYKBBLAZFX-NFNSGCKMSA-N 504.644 2.155 0 40 KEAB biogenic CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 12536754 RBRHBXUXTBHWQJ-UHFFFAOYSA-N 530.647 2.417 0 40 KEAB NS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 27563722 OQXJUJDDCWHRLA-XMMPIXPASA-N 544.549 2.159 0 40 KEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC1)CS2 38152352 ITAQRCMMKIJEOP-RDTXWAMCSA-N 522.874 2.389 0 40 KEAB COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 100629913 KZLMPSIYXALDMI-QFQXNSOFSA-N 567.620 2.498 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223013469 GNMWNGDFKZEQCZ-OAHLLOKOSA-N 540.436 2.497 0 40 KEAB COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CNc2cnn(C)c2C)c1 643585326 ZEQGFRCQGJXSAT-YKSAMHJOSA-N 617.788 2.387 0 40 KEAB CC(=O)Nc1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c1 1222970 AQJRPPREWQDWFB-UHFFFAOYSA-N 510.551 2.310 0 40 KEAB COc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(OC)c(OC)c3)c(=O)[nH]2)c(OC)c1 2712619 YAVLLPSBSNUEAT-UHFFFAOYSA-N 515.548 2.370 0 40 KEAB CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)O)C(C)C 15959530 CEDTWGRUDCMCSJ-ZRBLBEILSA-N 522.602 2.230 0 40 KEAB biogenic COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(N)=O)N[C@]23C(=O)Nc2ccc(Br)cc23)c1 57122064 SQWAPGHVFYOHHN-SIMDFCGZSA-N 503.353 2.106 0 40 KEAB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](CC(N)=O)C(=O)O)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C 70673399 ABINSSSHOUBAOH-LTOQMASNSA-N 598.741 2.272 0 40 KEAB biogenic O=C([C@@H]1[C@@H]2C(=O)N([C@H](c3ccccc3)c3nnnn3-c3ccc(Cl)cc3)C[C@]23C=C[C@H]1O3)N1CCOCC1 97957123 JNPYAGCBKTZUTP-BFSPYNFASA-N 532.988 2.046 0 40 KEAB CCOC(=O)COc1c(I)cc(/C=C2/NC(=O)N(C)C2=O)cc1I 409191321 VMNSVRMVOBWZHW-IZZDOVSWSA-N 556.094 2.360 0 40 KEAB CSc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@@H](CCCNC(=O)C=C(C)C)C(N)=O)N(C(=O)C=C(C)C)C2)c1 4200905 DDHONXYXBDDIDB-PMVMPFDFSA-N 572.732 2.298 0 40 KEAB biogenic,in-vitro COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1 12474077 LMRPFUXQWDNASC-RXVVDRJESA-N 525.587 2.222 0 40 KEAB COc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)Nc3ccc(Br)c(C)c3)CC2)cc1 55153203 QQAQUJHMRICEIT-UHFFFAOYSA-N 503.397 2.279 0 40 KEAB CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70706121 QXJHKOPEADJZIO-GSDHBNRESA-N 556.619 2.427 0 40 KEAB biogenic CC(=O)O[C@H]1C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H]3[C@H](C[C@@H](C)[C@@H]12)OC(=O)[C@H]3CN1CCN(c2ccccc2)CC1 70712344 AOTYYZLJECCICM-QOZHGTPNSA-N 528.646 2.257 0 40 KEAB biogenic COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)cc1OC 100309824 IFXVDGSKMOIKID-WAIKUNEKSA-N 583.623 2.253 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)c1 102350222 ICBDIXNZZALKBV-UHFFFAOYSA-N 545.618 2.481 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](n2nc(N3C(=O)c4ccccc4C3=O)c3ccccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 103219364 UWMUWOPRCFCWED-BOCITWAFSA-N 521.482 2.161 0 40 KEAB CC(C)N1CN([C@@H](C(=O)N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)O)c2ccccc2)CSC1=S 104297993 MDXYRYAVESSDPS-WFXMFSGNSA-N 508.691 2.319 0 40 KEAB COCCCNC(=O)c1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 223834648 LFWKSVLFPKRNRC-UHFFFAOYSA-N 519.620 2.054 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224569331 XDAHDTXNGPICGR-NRFANRHFSA-N 521.636 2.422 0 40 KEAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)s2)c1 225627152 HCIKXTIQCOKDHH-UHFFFAOYSA-N 507.619 2.101 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](O[C@@H]2CC[C@]34C[C@]35C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@H](O)C[C@@]3(C)[C@H]5CC[C@H]4C2(C)C)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O 253500675 IRXIEUDBDWXTTL-ABBXXRGYSA-N 825.002 2.034 0 40 KEAB biogenic,in-vitro COC(=O)c1ccc(NC(=O)CNC(=O)C[C@@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)cc1 524729935 OUEZWHBWDLHMQZ-SFHVURJKSA-N 510.499 2.432 0 40 KEAB biogenic COCC(=O)N1CCN(CC2(O)CCN(c3ccccc3C)CC2)C[C@@](O)(COc2cccc(F)c2F)C1 585287191 KPCJAUOVYGEOAU-NDEPHWFRSA-N 533.616 2.205 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1[C@]3(C)CC[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C 1857777790 RWXIFXNRCLMQCD-XGXHBQEQSA-N 785.025 2.149 0 40 KEAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3448216 CULIULOEIHVJNH-UHFFFAOYSA-N 513.663 2.125 0 40 KEAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NO[C@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]12 4292718 ZLARCTCFRSFFAA-WMZHIEFXSA-N 530.493 2.491 0 40 KEAB biogenic O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1)NC[C@@H]1CCCO1 9600060 PDBZGTITAIWUQU-INIZCTEOSA-N 525.678 2.352 0 40 KEAB COc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 11758141 CTQOSUUPUWRMGI-UHFFFAOYSA-N 507.528 2.162 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2F)CC1)Nc1cccc(C(F)(F)F)c1 19818670 NYGCIRMVBZQAKC-OAQYLSRUSA-N 521.515 2.322 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1 20031790 YEJBXYUFVJPTEW-NRFANRHFSA-N 505.662 2.497 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 60018408 FYKDDTGUJWQQTL-UHFFFAOYSA-N 581.454 2.391 0 40 KEAB CO[C@H]1O[C@H]([C@@H](O)OC(=O)c2ccccc2)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 100378311 HGETVYKVKDWWIZ-APJCQQALSA-N 522.506 2.345 0 40 KEAB Cc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C)CC1 223777203 UROFSSNXRLCQIK-MRXNPFEDSA-N 530.619 2.003 0 40 KEAB Cc1nc(CC(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cs1 643578455 CLYACSIOTWKSQZ-BJKOFHAPSA-N 530.691 2.339 0 40 KEAB COC(=O)Nc1ccc(OC(=O)COC(=O)CCC(=O)OCC(=O)Oc2ccc(NC(=O)OC)cc2)cc1 2061000986 SSAVSPUQSXNBTM-UHFFFAOYSA-N 532.458 2.421 0 40 KEAB COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 1222149 MOUBLZXICNFHFQ-SFHVURJKSA-N 514.556 2.456 0 40 KEAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(C(C)=O)C2 3007285 WAYAFTWVHJRUKC-UHFFFAOYSA-N 521.617 2.103 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1CC 6860712 RYXLEUUKYVLVCV-HXUWFJFHSA-N 513.576 2.355 0 40 KEAB Cc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O 9263329 WTADQOCDVROMGR-HYARGMPZSA-N 501.543 2.340 0 40 KEAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c(=O)[nH]c1=O 12867084 VOVMBCDWAHZWHE-QZTJIDSGSA-N 535.667 2.020 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)CC2)cc1 13669196 ARSIFOFVWUHQTK-UHFFFAOYSA-N 519.567 2.313 0 40 KEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C 38140804 LTEVHNGJROBLSR-UHFFFAOYSA-N 539.589 2.135 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)cc1OC 38145722 OEROOPQPFFWHCS-YCRPNKLZSA-N 543.602 2.426 0 40 KEAB NC(=O)C1CCN(C(=O)CN2[C@H]3CCCC[C@H]3NC(=O)[C@H]2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 54672191 NAZFUABUFZOVAW-HSALFYBXSA-N 524.449 2.158 0 40 KEAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59838367 GRTCWUAGWSVJNH-RUZDIDTESA-N 587.720 2.231 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 224216872 LFWNUNFGJBNDDC-UHFFFAOYSA-N 524.448 2.205 0 40 KEAB Cc1cc(Cl)ccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 224290186 KLSDHPHBRCOMMZ-UHFFFAOYSA-N 530.068 2.394 0 40 KEAB Cc1cc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1Br 224466566 FDANNGZIDJTXID-UHFFFAOYSA-N 513.410 2.352 0 40 KEAB COc1cccc(CN2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(-c5cnn(C)c5)ccc4C(=O)N3)CC[C@@H]2O)c1 514287610 QMIZAYMJKYFNQN-RIDAGPSNSA-N 589.693 2.276 0 40 KEAB CC1(C)CC[C@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O[C@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 1857789597 KAYMPWXMHIUNGC-PNLNOAPWSA-N 766.966 2.494 0 40 KEAB COCCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 6905063 LRQVWJRNNPWPOA-IBGZPJMESA-N 501.540 2.123 0 40 KEAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1OC 10434119 RSVVHYFJRRHUSI-UHFFFAOYSA-N 518.636 2.133 0 40 KEAB CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)O 70705321 YHKDSPRTUGLEPQ-HJOGWXRNSA-N 579.679 2.418 0 40 KEAB biogenic CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(C)cc1OCCOc1cc2cc(-c3ncc(C(=O)OCOC(C)=O)o3)oc2cc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O 169716553 VPSRLGDRGCKUTK-UHFFFAOYSA-N 1001.860 2.399 0 40 KEAB CC(C)c1nc2ccccc2n1CCCC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)[C@@](C)(O)CO2 257313560 UTEMIHSYUOFABK-JHOBJCJYSA-N 591.713 2.461 0 40 KEAB CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643566018 UFTXJVPMJJABDY-XZOQPEGZSA-N 526.609 2.055 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 6547188 VPEHODUMRQWLTR-SFHVURJKSA-N 501.590 2.262 0 40 KEAB COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1OC 13564847 PQXAGNDRMFBUQB-OAQYLSRUSA-N 524.039 2.374 0 40 KEAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)C2=O)cc1 14185127 MXTORIUDDLQSHS-DEOSSOPVSA-N 518.661 2.346 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)N[C@H](Cc3ccccc3)C(=O)O)CC2)C(C)C)cc1 15958126 BTSLAJVJQWBZPB-RPWUZVMVSA-N 529.659 2.349 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 103138999 UZKHUEXXYCMKTP-UHFFFAOYSA-N 564.620 2.150 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cc1 224240606 ASZGDAGVHKKEFF-UHFFFAOYSA-N 588.546 2.436 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224251702 MYDVJHGCWJAUCB-NRFANRHFSA-N 503.621 2.476 0 40 KEAB CS(=O)(=O)N(CCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCCO2 224546481 UWGSYWSITYLAIK-UHFFFAOYSA-N 517.604 2.077 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3C[C@@H](O)[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@@H]1O 256103881 JFSXBMIFXZFKHD-AQALTABTSA-N 520.663 2.456 0 40 KEAB biogenic,in-vitro CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCC(N)=O 409205959 SDUKVJYPUOHYCH-JCMHNJIXSA-N 524.599 2.335 0 40 KEAB CC(=O)N1CCCN(CC(C)C)CCN(C(=O)c2cnn([C@H]3CCN(S(C)(=O)=O)C3)c2)Cc2ccccc21 643561282 DKFIXKVILMTPKO-VWLOTQADSA-N 544.722 2.447 0 40 KEAB COC(=O)[C@H](C)OC(=O)COc1ccc(-c2coc3cc(OCC(=O)O[C@@H](C)C(=O)OC)ccc3c2=O)cc1 2061000179 WZZRQTSPYAVWSS-HOTGVXAUSA-N 542.493 2.427 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OC)c(OC)c1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 6546942 CGDOMIXGUISGNN-QFIPXVFZSA-N 555.613 2.217 0 40 KEAB COCCNC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N 6905047 QNVXDFHEONRHFZ-IBGZPJMESA-N 503.531 2.249 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1ccccc1OC 13136738 IJOMFFGZFKANAJ-PGGUJSHWSA-N 508.552 2.270 0 40 KEAB CC(C)(C)SCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 15224792 XHXDNLQSNJYNTK-OAQYLSRUSA-N 525.718 2.398 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1C 20032205 FEMUCTMZXIWWLY-FQEVSTJZSA-N 523.677 2.361 0 40 KEAB COc1ccc(CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)cc1OC 33356867 GWCXYTXLDUYJKB-IADCTJSHSA-N 622.700 2.351 0 40 KEAB CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1 216462628 ITBYMNWDVIACLB-UHFFFAOYSA-N 505.578 2.081 0 40 KEAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)s1 222574565 QDKRJINEZSIDBG-UHFFFAOYSA-N 507.619 2.101 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 222746058 AYDCUSJVCFWRJD-UHFFFAOYSA-N 502.014 2.392 0 40 KEAB COC(=O)COc1c(I)cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OC 409100683 RMUOALADDFTUEO-MRACZJACSA-N 535.312 2.449 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4CC(C)(C)C)NC3=O)O2)cn1 514287515 HRKNKBAUTDBSPN-LVBBYBRXSA-N 539.677 2.113 0 40 KEAB CC(C)C[C@H]1C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccn2)CC(=O)N1C 643574742 NLNIXUWPOMDGAN-LMERMFHRSA-N 670.811 2.380 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)c2cocn2)CCCCOC[C@@H](O)[C@H]1O 643586481 GVTFLUQOPFWPFK-UBFVSLLYSA-N 535.613 2.362 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 8451570 AIPIFVGMKVEDEF-INJUALFYSA-N 539.610 2.245 0 40 KEAB O=C(NC[C@@H]1CCCO1)[C@H](c1ccncc1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 8690339 JIOIQYCASBDDMD-NVQXNPDNSA-N 566.611 2.431 0 40 KEAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)CS2 8692917 DZAKRSXBMGSWAR-UTKZUKDTSA-N 516.041 2.450 0 40 KEAB COCCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 12689304 NHFVAZROTOVPFN-UHFFFAOYSA-N 525.562 2.233 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 60028703 WQJJPMNRNOQPKA-UHFFFAOYSA-N 537.660 2.284 0 40 KEAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 103120844 RAEJIUQFIHUDJQ-UHFFFAOYSA-N 556.622 2.122 0 40 KEAB O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225565047 NDZVQOOXOXDCQS-UHFFFAOYSA-N 507.366 2.450 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 226073234 IZTNUCIXEIABSN-UHFFFAOYSA-N 544.493 2.253 0 40 KEAB CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCN(C)C1=O 643565987 SZQXUMDUXCSJEV-RPLLCQBOSA-N 582.673 2.170 0 40 KEAB CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O1 1615526438 OSDSZHQNFBBDRR-KNPSGQGUSA-N 623.836 2.342 0 40 KEAB biogenic CC(C)=CCC[C@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3C)C[C@@]12C 2061000496 HIFAXNIMAFAPDJ-SGYKHWNOSA-N 799.052 2.395 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OCC)cc1 6600964 ONDIMGLOIUORFZ-NRFANRHFSA-N 543.577 2.429 0 40 KEAB COc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1C(=O)N1CCCCC1 13649263 RZGXJJNDTLSZLD-UHFFFAOYSA-N 507.634 2.323 0 40 KEAB CCOC(=O)[C@H]1C(c2ccc(N(C)C)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F 16682658 LCQMJMOTMRIGEZ-BMQXKUDNSA-N 516.435 2.300 0 40 KEAB C[C@]12CC[C@@H]3[C@@H](CC[C@]4(O)C[C@@H](OC(=O)C[N+](C)(C)C)CC[C@@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 16945450 KFPMAYKBBLAZFX-HFSBEDJWSA-N 504.644 2.155 0 40 KEAB CCCCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O 97967868 RQLXBVXUMWRARU-QOJBNDRUSA-N 550.616 2.203 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C/c3cccc(OC)c3)c2=O)=C(C(=O)OC(C)C)[C@H]1c1cccc(OC)c1 97968573 YDSZDSBVFMOZDF-AMUNLKFJSA-N 550.633 2.346 0 40 KEAB Cc1nn(-c2ncnc3nc[nH]c23)c2c1[C@@]1(CC(O)=N2)C(=O)N(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c2ccccc21 101363597 SRJHDJSIWCMJSQ-YRVHBCJASA-N 617.692 2.143 0 40 KEAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\[C@@H]4C(=O)NC(=S)N(c5ccc(Cl)cc5)C4=O)c(=O)n32)cc1OCC 408938058 ROVPMUDBVQLXFA-WIBYSAQTSA-N 641.127 2.485 0 40 KEAB CN(C)c1cccc(OCC(=O)N2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)c1 585284572 LXZDTMBLZXOLEY-HHHXNRCGSA-N 515.582 2.196 0 40 KEAB Cc1ccc(OCCN(C)C(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643579157 RRTUCIUKXRRIJV-DQEYMECFSA-N 552.672 2.403 0 40 KEAB CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN3C(=O)NC4(CCCC4)C3=O)C2=O)cc1OC 15934738 XCDMGNCYMCJUNX-AQTBWJFISA-N 516.576 2.111 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 20030589 SAPQSHDMBQDNDD-UHFFFAOYSA-N 501.630 2.444 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 44900544 BGCKZHVSRLDOAI-UHFFFAOYSA-N 512.654 2.250 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1N 100290964 KXYCGZAGVRQWNW-VLIAUNLRSA-N 543.627 2.340 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCCO4)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 102808609 OPQDOPWWBGEPER-SEZOVNKOSA-N 630.599 2.441 0 40 KEAB biogenic COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5ccc(F)c(F)c5)CC4)C3=O)ccc2c1 102896376 MZHUGDHOHJEONX-HHHXNRCGSA-N 572.590 2.427 0 40 KEAB CC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc21 224418688 QONOUOJJVRRGGV-UHFFFAOYSA-N 507.634 2.128 0 40 KEAB CC(C)(O)[C@@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 253503412 MDPXIRWVLJUABC-ZUUQICFTSA-N 652.866 2.261 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612277 GAXSDVMYRKMXAR-NMTWQVPRSA-N 544.509 2.085 0 40 KEAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C)C3)cc1 8583056 SNKKSPCLEOYEEE-UHFFFAOYSA-N 525.649 2.058 0 40 KEAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(CCC(=O)N4CCN(c5ncccn5)CC4)nnc23)cc1 9831415 RXDFSXRJSYLTMG-UHFFFAOYSA-N 508.586 2.472 0 40 KEAB CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)N1CCN(c2ccccc2F)CC1 64775046 HWPMKWRMRNMKAZ-UHFFFAOYSA-N 522.556 2.363 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C(=O)O)[C@@H](C)O 70700625 GHOKLCHUJDMSOZ-HVLZYVBGSA-N 532.597 2.119 0 40 KEAB COc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)ccc1O 100336308 QSKMWBYMXLCUEV-KCWXNJEJSA-N 613.635 2.200 0 40 KEAB CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cc4c(cc3N3CCOCC3)n(C)c(=O)c(=O)n4C)cc2c1C 101096710 NJZZSLIBWRZTKN-UHFFFAOYSA-N 556.597 2.106 0 40 KEAB O=C(C(Sc1ncnn1C(C(=O)N1CCCCC1)C(=O)N1CCCCC1)C(=O)N1CCCCC1)N1CCCCC1 104814287 CEWJKUSSCCYYDF-UHFFFAOYSA-N 573.764 2.330 0 40 KEAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 224895047 YTQOEFNWANOCOA-NRFANRHFSA-N 501.605 2.419 0 40 KEAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C(=O)NCc2ccncc2)c2ccccc2)cc1 260722624 QWNFESVWQRXHBE-VWLOTQADSA-N 510.616 2.368 0 40 KEAB CCOc1cc(C(=S)N2CCN(CC)CC2)cc(I)c1OCC(=O)N1CCOCC1 409255556 LZWKHWUEDASJTJ-UHFFFAOYSA-N 547.459 2.241 0 40 KEAB CC(C)N1C[C@@H]2C[C@H]1C(=O)NC[C@H]1O[C@H](CCOc3cc(-c4ccncc4)ccc3C(=O)N2)CC[C@@H]1O 514287703 ZUTWKUYQEOOLPT-LVBBYBRXSA-N 508.619 2.137 0 40 KEAB CCOC(=O)CN(C(=O)Cn1nnc(-c2ccccc2)n1)[C@@H](C(=O)NC1CCCCC1)c1ccccn1 6089288 AJXKMFSTANJOLK-XMMPIXPASA-N 505.579 2.317 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 6546589 VZALETJKSUDNJW-JOCHJYFZSA-N 564.580 2.102 0 40 KEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCC(=O)N1[C@@H]1OC(=O)c2c1ccc(OC)c2OC 12662143 AXVDXTFGRBBDAA-IQMFZBJNSA-N 514.487 2.306 0 40 KEAB biogenic CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1 20674953 GUMZSJZIOAULLX-YADHBBJMSA-N 514.554 2.380 0 40 KEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1N1CCCC1=O 44884623 WDSOGBKVMGWAIF-UHFFFAOYSA-N 503.562 2.214 0 40 KEAB Cc1c(C(N)=O)sc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1C(=O)OC(C)C 97947827 AZEGILKGSYBDDM-UHFFFAOYSA-N 543.067 2.319 0 40 KEAB CC(=O)N[C@H]1[C@H](Oc2cc3sc(=O)oc3c3ccccc23)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 216305023 AQBUEVUUOYUTIV-LBQOOEJDSA-N 547.538 2.043 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 222798049 ZNICXUAQQSWVHH-HNNXBMFYSA-N 512.426 2.387 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 224023246 QKELPGTZKQGIQF-QGZVFWFLSA-N 507.609 2.032 0 40 KEAB COC(=O)CSc1nnc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)s1 224405986 RRRYRHHLWOGYRA-UHFFFAOYSA-N 507.000 2.361 0 40 KEAB C[C@H]1CN(C[C@@H](O)COc2ccc(S(=O)(=O)c3ccc(OC[C@@H](O)CN4C[C@H](C)O[C@H](C)C4)cc3)cc2)C[C@H](C)O1 245229306 SXNYEHQZYJLEOA-HILHYHTASA-N 592.755 2.217 0 40 KEAB CS(=O)(=O)c1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC=C[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 253395772 CMRMVXKIIKIMSV-HWBMXIPRSA-N 539.654 2.029 0 40 KEAB CC(=O)OCC(=O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@@]4(O)C[C@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@@H]3CC[C@@]12C 253597080 ZTWWQCOHUBHIGI-ZTILJNADSA-N 508.608 2.482 0 40 KEAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c1 408960377 FJDUQOVCLODWJD-HMAPJEAMSA-N 501.543 2.340 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCc3nccn3C)cc2)C[C@](O)(COc2ccc(C)cc2)C1 585272227 HEZSNNDAUZPPQP-MUUNZHRXSA-N 508.619 2.408 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(Cc2ccn(C)n2)CCCCOC[C@@H](O)[C@H]1O 643586547 PJNOQUNWKXXGQX-ZONZVBGPSA-N 534.673 2.467 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC 6601374 VQRKOSIRACARPM-QFIPXVFZSA-N 555.613 2.299 0 40 KEAB COc1ccccc1OCCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 12565778 KXJIMLGEQISMQC-UHFFFAOYSA-N 512.968 2.320 0 40 KEAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 12881806 OZNCYQXVGWTHAE-UHFFFAOYSA-N 505.540 2.427 0 40 KEAB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CC(=O)O)C(=O)[C@H]45)[C@H]23)ccc1O 100922669 HUJWUIISPQBVIH-JRMPAOMDSA-N 502.570 2.099 0 40 KEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@]4(CCS(=O)(=O)c5ccc(F)cc54)C3=O)cc2)C1 195531196 YAWHBVAIIYFWAS-COLOXBMXSA-N 592.671 2.056 0 40 KEAB COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 222937965 LLUPYKJXNFIQIU-RDPSFJRHSA-N 517.648 2.169 0 40 KEAB CC(C)CCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCN(C)C)NC(=O)CC[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@@H]2CCCN2C1=O 643580340 CRSMTMHMRKRHQG-SYKYGTKKSA-N 714.905 2.457 0 40 KEAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)c(=O)[nH]c1=O 2655877 FCTIPEMIEKNTQL-UHFFFAOYSA-N 593.662 2.446 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1 6546742 YKZQLAZQLLYDRV-OAQYLSRUSA-N 525.587 2.214 0 40 KEAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 38152291 CEHGMPVYOGSVEM-UHFFFAOYSA-N 549.600 2.292 0 40 KEAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 40458940 UXOMJUCFOFMXBW-UHFFFAOYSA-N 517.604 2.354 0 40 KEAB COc1cccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NCc4ccc5c(c4)OCO5)cc3)CC2)c1 100338261 BNELKQOJQOCFLE-UHFFFAOYSA-N 545.639 2.413 0 40 KEAB C[C@@](NC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1)(C(=O)N1CCN(Cc2ccccc2)CC1)C1CC1 102844330 OOCOWZUNTJNLTD-HKBQPEDESA-N 546.716 2.143 0 40 KEAB COc1ccc(NS(=O)(=O)c2ccc3oc(SCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)nc3c2)cc1 103088352 IOWITLUWUSQYRW-HNNXBMFYSA-N 525.630 2.375 0 40 KEAB COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1Cl 224290477 NWKUDZNRYDIDJF-UHFFFAOYSA-N 546.067 2.094 0 40 KEAB CCOC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F 248042295 LCQMJMOTMRIGEZ-HZMZCJTDSA-N 516.435 2.300 0 40 KEAB Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCN4CCOCC4)CC3=O)cc2)cc1Cl 408582754 XJCPBVGZEVNOOA-LJQANCHMSA-N 515.010 2.467 0 40 KEAB O=C(CN1CCCCCCOc2ccccc2N(CC(=O)NCCCN2CCOCC2)c2cncc(c2)C1=O)NCCCN1CCOCC1 643584608 HFYCRJBELCQAMG-UHFFFAOYSA-N 679.863 2.292 0 40 KEAB CC(C)NCCOc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O 2037879958 ZDVPBMHLVMMFTJ-BUVFEPMLSA-N 505.999 2.008 0 40 KEAB CCCCn1c(N)c(N(CCOC)C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(=O)[nH]c1=O 24750478 TWWACEWMSUPULL-UHFFFAOYSA-N 505.531 2.013 0 40 KEAB COc1ccc(CCNC(=O)CSc2nc(N)c(NC(=O)c3ccc(OC)c(OC)c3)c(=O)[nH]2)cc1OC 97958203 DPDBRWSCHCFQHF-UHFFFAOYSA-N 543.602 2.090 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cc(OC)cc(OC)c4)o3)cc2)CC1 97963809 QVTASZFORBVBSL-UHFFFAOYSA-N 545.574 2.469 0 40 KEAB CCOC(=O)c1c(NC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)sc2c1CCCC2 100084826 VBXTZRIJUOTCTN-JRGCBEDISA-N 541.575 2.100 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1N 100290968 KXYCGZAGVRQWNW-JLTOFOAXSA-N 543.627 2.340 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 150416440 YNJBFRQVLBEXKL-JGDSNHNJSA-N 699.790 2.457 0 40 KEAB COc1cccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1 224407892 RYSAYEIUTULRJR-IBGZPJMESA-N 539.676 2.220 0 40 KEAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 226053441 QVLLNAMPRCEQBN-UHFFFAOYSA-N 535.688 2.302 0 40 KEAB CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCCO2 408703634 VCNMCGGULKODFI-GOSISDBHSA-N 503.577 2.161 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 409155428 QZQBRLPRPFLBGA-FJSZTYFPSA-N 621.712 2.443 0 40 KEAB CCN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)O)c(I)c2)C1=O 409231946 GLMPKIAWQDCAOV-BJMVGYQFSA-N 542.067 2.272 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(N)=O)c(Br)c3)C2=O)o1 409400316 OHPXRBZKTKUJLP-MLPAPPSSSA-N 512.700 2.439 0 40 KEAB COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O 524730109 WBZMVKHHJJWYLF-FQEVSTJZSA-N 524.526 2.361 0 40 KEAB biogenic COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1 585274993 SUMGBUYOWNYRPI-LJAQVGFWSA-N 538.645 2.380 0 40 KEAB Cn1cnc(S(=O)(=O)N2CCO[C@H](c3cccc(Nc4ncc(CNS(=O)(=O)c5ccc(F)cc5)s4)n3)C2)c1 2037836218 UWMSTKAJAVOVNO-FQEVSTJZSA-N 593.688 2.395 0 40 KEAB CCOc1ccc(S(=O)(=O)NCCC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1 12541566 KVVYUJNRZSUNHY-UHFFFAOYSA-N 510.366 2.268 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)n2CC 103056206 MIYKBHKUPZFJQD-UHFFFAOYSA-N 553.732 2.185 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)o1 408980627 GDWLQDSGHVQEJH-ZVYKEMNCSA-N 512.540 2.172 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(C)cc43)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409120345 ZAZCAHYFKHWDMM-VFJWVMJUSA-N 519.579 2.446 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)cc1OC 6074481 NVGDMFDDMCSMOL-AREMUKBSSA-N 583.665 2.313 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O 12563474 HOFYNIISRCGQGD-UHFFFAOYSA-N 523.633 2.148 0 40 KEAB O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20097990 HXCQIRKDFICFQU-UHFFFAOYSA-N 507.634 2.143 0 40 KEAB CC[C@@H](C)NC(=O)Cn1c(=O)n(Cc2ccc(C(=O)N3CCCC3)cc2)c(=O)c2cc(OC)c(OC)cc21 64449295 BYEOKJHCNWACNC-GOSISDBHSA-N 522.602 2.379 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c(Cl)cc3Cl)CC2)cc1 66156956 VFXIKLQQFQLIDP-UHFFFAOYSA-N 562.497 2.469 0 40 KEAB COC(=O)Cn1/c(=N\C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)sc2cc(OC)c(OC)cc21 101093775 OXRAIEPRVDPQHL-GHVJWSGMSA-N 539.657 2.483 0 40 KEAB COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1 170593564 CJIALWJKWYIUOU-NSGJSMTFSA-N 566.394 2.394 0 40 KEAB COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NCc2ccccn2)ccc1OC(C)=O 409381807 WIVJPTZKPKIKBA-UIOOFZCWSA-N 624.555 2.101 0 40 KEAB CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)c2c(F)cccc2F)CCCCOC[C@@H](O)[C@H]1O 643586332 DZUMYXGUMZAMBH-UCIDMZFESA-N 500.583 2.217 0 40 KEAB O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(I)cc1 3225307 BWDDCNQASLXVET-UHFFFAOYSA-N 558.394 2.427 0 40 KEAB O=S(=O)(N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3cccc(N4CCOCC4)c3)CO[C@H]12)c1ccc2ccccc2c1 4147789 XETJYRIQYKFHFC-QEGGNFSNSA-N 564.624 2.141 0 40 KEAB biogenic,in-vitro Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)o1 8680630 CXAOHDHPDYAOPF-HFMPRLQTSA-N 526.569 2.425 0 40 KEAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1 20459168 DKSXQJCVJAYPGL-MRXNPFEDSA-N 519.605 2.388 0 40 KEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C 39986260 ZSPALLQJRCVUNU-UHFFFAOYSA-N 503.621 2.477 0 40 KEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)cc2)n1 59924183 VKWKWWBKMSXNPD-UHFFFAOYSA-N 531.616 2.167 0 40 KEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21 100877557 LOWWTQZAOUHJAY-DLQBEQTCSA-N 594.737 2.321 0 40 KEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1=O 103139643 HMHBLMRKQGJXAA-LEHBWIKQSA-N 532.594 2.419 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccccc3F)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 170621332 YKEMJYWTAXGIRJ-IXSXPGEMSA-N 576.526 2.419 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 224319544 BGTROUQGYLEJIL-UHFFFAOYSA-N 553.678 2.347 0 40 KEAB COC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc(C(=O)OC)c1 408713786 XARSMCVMBBHRPK-CQSZACIVSA-N 508.524 2.447 0 40 KEAB CS(=O)(=O)N1CC[C@H](n2cc(C(=O)NCCN3CCC4(CCCCCc5ccccc5OCCNC4=O)CC3)cn2)C1 643561519 QFDBLNZMLDZVBL-SANMLTNESA-N 600.786 2.213 0 40 KEAB COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1 643566102 VLTWLYSYPJUYLV-LOSJGSFVSA-N 552.672 2.314 0 40 KEAB CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCCC(=O)[C@H](C)O)NC(=O)[C@@H]2CCCCN2C1=O 1775964277 ZXVFNKFMGQIBFI-GKKOWRRISA-N 570.731 2.025 0 40 KEAB biogenic,in-vitro COc1c(OC)c([C@]2(O)C(=O)N(C)c3ccccc32)c(OC)c(OC)c1[C@]1(O)C(=O)N(C)c2ccccc21 1612084 BGWFETQDZAHJTD-NSOVKSMOSA-N 520.538 2.146 0 40 KEAB CCOC(=O)C1=CC2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3C1[C@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 2066087 CCYKAFXFMLGKTR-NUDPWQOESA-N 530.533 2.364 0 40 KEAB COc1ccc(CCNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC 8829682 TWQMJLFAKLUGBO-UHFFFAOYSA-N 524.039 2.329 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2 12928330 CLKNTHQXWLCWON-UHFFFAOYSA-N 518.588 2.290 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1C 59838784 XEUADYDKYPCPSP-JOCHJYFZSA-N 565.714 2.132 0 40 KEAB CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@H]2C([C@@]3(C)NC(=O)N(c4ccccc4)N3)=NO[C@H]2C1=O 103045946 IACLZCGNMWEOQR-JZKQVHKSSA-N 523.859 2.295 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccn4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 170621352 TUJBDTAESXDYIX-NVEUHTJCSA-N 569.519 2.317 0 40 KEAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 222895286 HAQCJRQICZIEKZ-MRXNPFEDSA-N 543.427 2.263 0 40 KEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C(=O)N1CCOCC1 408693354 PQVSGHFLUGVSRP-UHFFFAOYSA-N 523.633 2.143 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1 409152055 DCAMQCJMDVOQDW-RFZPLYKNSA-N 591.686 2.435 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 409166997 GLKRVIDEWASYSB-CCLVUABDSA-N 651.738 2.452 0 40 KEAB COc1cccc(OCC(=O)N2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)c1 585283887 IPRYBXJWYGVZLM-AREMUKBSSA-N 502.539 2.139 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)(F)F)cc4C4CC4)[C@H]3SC2)s1 2809183 JGCTWQFRMKBSGJ-RHSMWYFYSA-N 560.605 2.470 0 40 KEAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 3404663 GAJPTGKPHLTJJI-IBGZPJMESA-N 525.630 2.413 0 40 KEAB Cc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 20638915 VKOYZWVECXNOBN-QFIPXVFZSA-N 517.552 2.492 0 40 KEAB CC[C@H](CCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1 76945083 PWKRIVHAEAYCHH-FMRBVCRUSA-N 561.749 2.235 0 40 KEAB in-vitro CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 85893593 KRVIIMWSCXORIQ-NHKHRBQYSA-N 786.839 2.407 0 40 KEAB biogenic CCOc1ccc(CCNC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OCC 95570200 OEWXSKUKWXFIBG-UHFFFAOYSA-N 534.631 2.329 0 40 KEAB CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4c(N)n(Cc5ccccc5)c(=O)n(C)c4=O)cc3C2=O)cc1 103137697 UZQBNNNLPCLBGB-UHFFFAOYSA-N 582.569 2.417 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1C 222578560 RPXQFGWJJWESDN-UHFFFAOYSA-N 523.677 2.198 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@@H](O)[C@@H]1O 257610117 WQMLFJWIKARBFW-AOMIWZMGSA-N 520.663 2.456 0 40 KEAB biogenic,in-vitro NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1 409385769 ISRINCYKAJLHPS-ZDUSSCGKSA-N 502.412 2.136 0 40 KEAB Cc1csc(CCCNC(=O)[C@@H]2CCC(=O)N(C)CC(=O)N[C@@H](C(C)C)COc3ccccc3C(=O)N2)n1 643578013 MWGOSQKYLCUZJA-LEWJYISDSA-N 543.690 2.071 0 40 KEAB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)co2)n1 9829309 NBXVCXXWQCHODG-UHFFFAOYSA-N 503.558 2.271 0 40 KEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 13638321 BHZWQJFXFWHKQR-FQEVSTJZSA-N 520.995 2.301 0 40 KEAB COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cccc3ccccc23)CC1 19821058 YCGWZNGRUKOZFA-VWLOTQADSA-N 515.614 2.326 0 40 KEAB CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](O)C[C@@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O 118916790 CPFNIKYEDJFRAT-RNTQNKCMSA-N 550.689 2.081 0 40 KEAB CC(=O)NCc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2NCc2ccccc2)cc1 575420799 FCJUAVTUWJPHFH-SXOMAYOGSA-N 541.695 2.469 0 40 KEAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccccc2)CCC(=O)N2CCC[C@@H]2C1=O 643569481 HGWQGSQEIYHSRF-BJKOFHAPSA-N 520.630 2.156 0 40 KEAB COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1 643571366 IYAFYAKJANAOCH-LWTLJRRESA-N 667.804 2.290 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C\c3c(F)cccc3Cl)c2=O)=C(C(N)=O)[C@@H]1c1c(F)cccc1Cl 1817125 GEQWZFSFSIXCQB-BAPRJRNISA-N 552.386 2.447 0 40 KEAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O 103116040 NSCUNWBJPHGKKH-MUUNZHRXSA-N 554.600 2.498 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 224214089 BWVVBWZLIHLJQH-UHFFFAOYSA-N 524.448 2.205 0 40 KEAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1I 224301768 UHQJFBKGEBVPOH-UHFFFAOYSA-N 566.439 2.442 0 40 KEAB Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCCC1 224456926 ZDADZNIZPXUNBE-UHFFFAOYSA-N 565.714 2.389 0 40 KEAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 408562194 OAMVWDTVQVOSTO-UHFFFAOYSA-N 501.586 2.411 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCCn3cccn3)c2)C[C@@](O)(COc2ccccc2)C1 585279621 DRXXGHKRADTZDY-NDEPHWFRSA-N 508.619 2.453 0 40 KEAB CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643565953 SEVLFDZSAMVYNN-WIOPSUGQSA-N 540.636 2.400 0 40 KEAB C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CC(=O)N[C@@H](COC(C)(C)C)C(=O)N1 643571800 LOKHVFIDXCLHQC-LEOXJPRUSA-N 589.089 2.221 0 40 KEAB Cc1cccc(C(=O)NCCCC[C@@H]2NC(=O)[C@H](CCCCN(C)C)NC(=O)CC[C@@H](C(=O)O)NC(=O)c3ccccc3OC[C@@H]3CCCN3C2=O)n1 643580692 MMIRZDVVUWXZEA-LKZKAFSPSA-N 735.883 2.038 0 40 KEAB COc1cc(/C=c2\sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)ccc1O 33354196 QEUQPXVRXITPMN-PXOANODHSA-N 527.606 2.333 0 40 KEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)c1ccc2c(c1)OCCO2 215985774 BAWUCYFPEFPBBO-UHFFFAOYSA-N 561.642 2.460 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223062033 ZSRLGCGYFMXLKV-HNNXBMFYSA-N 540.436 2.497 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1 224217105 OTHVNRGQAVTYAW-UHFFFAOYSA-N 561.682 2.477 0 40 KEAB C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224483715 OFGDATZDZHINKY-KRWDZBQOSA-N 579.619 2.076 0 40 KEAB CC[C@H](NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(S(C)(=O)=O)cc1 225069154 RLHPIVXLVLZEIM-QFIPXVFZSA-N 524.661 2.320 0 40 KEAB COC(=O)c1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc(C(=O)OC)c1 408584231 NFPNDSOCUUOCEE-HNNXBMFYSA-N 520.560 2.316 0 40 KEAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12 409138661 GFGWKQBGJCZIBG-CWGWECIMSA-N 540.642 2.394 0 40 KEAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)cc1OCC(N)=O 409398574 DNIXTVICABAPNC-NSIKDUERSA-N 522.308 2.184 0 40 KEAB CNC(=O)c1oc(-n2cnc3c(NCc4cccc(I)c4)ncnc32)c(O)c1O 1560410040 VKHNUKDMKDKVQX-UHFFFAOYSA-N 506.260 2.396 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCN(C)C)NC(=O)c2ccccc2OCCCCCCN(C)C1=O 1615158369 MBVHOBILFMENNH-ZEQRLZLVSA-N 545.725 2.185 0 40 KEAB CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(N)=O 6190495 SKCBOHGILGKGJY-YUMYIRISSA-N 553.745 2.464 0 40 KEAB COCCNC(=O)[C@H](c1ccc(OC)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N 6905108 WTDQUAUIVFQHLL-SFHVURJKSA-N 503.606 2.041 0 40 KEAB C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C)c1ccccc1 12889316 OIPATMUGKZSSKM-OAVPIMDZSA-N 522.627 2.207 0 40 KEAB biogenic CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@@H]1C(=O)O 38139998 CYHMHJHPJPGOEW-DWJNZPNVSA-N 520.586 2.080 0 40 KEAB biogenic CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224502459 VBQQBMQTBLLHDP-FQEVSTJZSA-N 517.648 2.456 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 225996265 SANUDBHWYZPWAC-UHFFFAOYSA-N 501.630 2.281 0 40 KEAB O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 409332462 FLEHXMBXIQRSEF-HKUYNNGSSA-N 514.385 2.476 0 40 KEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)s1 514403909 SWKWCXORYCOZAI-UHFFFAOYSA-N 526.489 2.293 0 40 KEAB CC[C@@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2cccc(C)c2)NC(=O)c2ccccc2OCCN(C)C1=O 643562340 QIKRUDKTUNXXGW-SEIBCYHCSA-N 522.646 2.224 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 685332 DTBCDNZRUGLABZ-RTWFUWSXSA-N 522.627 2.152 0 40 KEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 5762935 WVIROHQCACRCMC-GSDHBNRESA-N 600.632 2.147 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 11026974 DHEYTJVPOXJDMJ-UUNMLIRYSA-N 579.580 2.044 0 40 KEAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1S(=O)(=O)N1CCCC[C@@H]1C 12549745 DWUNOPCOODZFEH-HNNXBMFYSA-N 509.606 2.335 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccco2)cc1OC 100290898 BEGQWNCQARNKFS-XOBRGWDASA-N 529.575 2.118 0 40 KEAB CCOc1cc(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)cc(OCC)c1OCC 103074370 PUSXIRVFIYIOCX-UHFFFAOYSA-N 583.594 2.049 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2cccc(Cl)c2Cl)c(N)n(Cc2ccccc2)c1=O 103111084 AUHGATAVAHUJRL-UHFFFAOYSA-N 520.325 2.160 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 224366167 RDDHVVDRVVPWLF-UHFFFAOYSA-N 530.068 2.476 0 40 KEAB CN1CCN(C(=O)C[C@H]2CN(C(=O)c3cnccn3)CC[C@@H]2Oc2cccc(Br)c2)CC1 257289504 PYYGJBJCGJRZBX-UWJYYQICSA-N 502.413 2.313 0 40 KEAB C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 260714353 CGRRJNWXOCHKKN-AUSIDOKSSA-N 505.612 2.300 0 40 KEAB CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O 504624554 DCNCLUWIZKDKJI-ZXGKGEBGSA-N 599.062 2.279 0 40 KEAB biogenic COc1cc(C)ccc1OCCNC(=O)[C@@H]1CC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1 643579192 TUQLXPBOXIJZPD-IZZNHLLZSA-N 602.688 2.266 0 40 KEAB COc1cccc(-c2ccc3c(c2)NC(=O)CN2CCN(S(=O)(=O)c4c(C)nn(C)c4C)C[C@@H]2CO3)c1 1772594717 NZFGCULOMYFSGG-OAQYLSRUSA-N 525.631 2.419 0 40 KEAB CC(=O)Oc1ccc2c(C)c(CC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c(=O)oc2c1 9341756 CIJKUIGBELVVOD-DEOSSOPVSA-N 506.511 2.080 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1N 12474111 VWDJQIVHZARORL-XLIONFOSSA-N 513.551 2.352 0 40 KEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 20031401 GRVWCQBKVLTRPD-GOSISDBHSA-N 509.650 2.161 0 40 KEAB Cc1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)s1 27986972 ASTLDTYFJKNNDP-UHFFFAOYSA-N 507.575 2.102 0 40 KEAB COc1ccc(N2C[C@@H](C(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)c(OC)c1 38151091 IWOXRXRDILJGMV-IBGZPJMESA-N 535.601 2.226 0 40 KEAB Cc1c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cnn1C(F)F 102350359 BWNNAAQZBYSVRI-UHFFFAOYSA-N 527.604 2.286 0 40 KEAB Cc1cccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 102777375 WKMJTNVPLAXODM-VWLOTQADSA-N 540.667 2.372 0 40 KEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1OC 103128665 RCEBLKPWYFVTTH-RUZDIDTESA-N 530.603 2.284 0 40 KEAB O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C(=O)c2ccccc2)CC3=O)CC1 253400610 LKXIRGASVJFKIR-FVQFUZPJSA-N 544.652 2.433 0 40 KEAB COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)C1=O 408549469 UBOLJXSKDGNJBN-CXUHLZMHSA-N 565.320 2.383 0 40 KEAB COc1ccc(OCCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643566056 VBCWCZDJISQJHL-DQEYMECFSA-N 568.671 2.151 0 40 KEAB COCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 6905421 JZOCDTTTYFLRIM-UHFFFAOYSA-N 575.669 2.130 0 40 KEAB Cc1ccc(-c2nnc(Nc3ccc(OCC(N)=O)cc3)c3ccccc23)cc1S(=O)(=O)NCCO 17145862 SUUUEWJNLLGGTR-UHFFFAOYSA-N 507.572 2.484 0 40 KEAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NCCN2CCOCC2)C(=O)[C@]31C 20609748 GPBMEOLSMJADRK-NDEPHWFRSA-N 517.586 2.479 0 40 KEAB biogenic CCN1C(=O)/C(=c2\s/c(=C3\Sc4ccc(OC)cc4N3C)c(=O)n2Cc2ccccc2)N(C)C1=S 100499507 SFMBXKCCVRKZNG-CBAIGBLSSA-N 524.693 2.462 0 40 KEAB O=S1(=O)NC[C@H](O)CN(Cc2ccc3c(c2)OCO3)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2 253397810 FZSAIWUNHPKEQR-DIKZQZFXSA-N 600.665 2.257 0 40 KEAB C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2[C@]1(C)O 253532217 LARPFJIXBULVPK-PXJLXFRUSA-N 650.850 2.435 0 40 KEAB biogenic,in-vitro CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O 257199203 WLOHNSSYAXHWNR-ADRIGGJOSA-N 835.086 2.202 0 40 KEAB CC1(C)CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 257534858 RROGHRHLBLVQSG-RTTKTYHLSA-N 766.966 2.494 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409037284 MQCIHQVWSTXJHM-XQAWFANUSA-N 582.631 2.463 0 40 KEAB Cc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643580594 PGVHMFSRRHLXCU-NSOVKSMOSA-N 602.688 2.353 0 40 KEAB CC(=O)C[C@@]12CCC(C)=CC[C@]13CC[C@@]2(C)[C@](C)(/C=C/C=C(\C)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)OC3=O 2061000750 PONQZACKSXPFBQ-KDJAJFNOSA-N 562.656 2.030 0 40 KEAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 13117717 ZACWOFHSNIRBSB-UHFFFAOYSA-N 526.634 2.450 0 40 KEAB C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1=O 14086054 NWSBNUIQSIONHD-NRFANRHFSA-N 505.394 2.262 0 40 KEAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1C 59838389 CWPOQNJYEDYWKH-XMMPIXPASA-N 545.683 2.460 0 40 KEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)n1 60018415 GYZJOWKTRHWTSO-UHFFFAOYSA-N 547.615 2.070 0 40 KEAB COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)c1 100627007 IFZCJXZATINISS-YIXXDRMTSA-N 578.647 2.300 0 40 KEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224420923 LSIRQFPUBXTJTG-LJQANCHMSA-N 539.676 2.220 0 40 KEAB COc1cc(C(=O)O[C@H](C(=O)Nc2cccnc2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O 409383159 RXBFIKLVIYAOJP-LOSJGSFVSA-N 610.528 2.424 0 40 KEAB CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O 504624553 DCNCLUWIZKDKJI-SKFMWMRISA-N 599.062 2.279 0 40 KEAB biogenic COc1ccc2cc([C@H](CC(N)=O)c3oc(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)cc(=O)c3O)c(O)nc2c1 524729524 XFOHTMPXBZEREJ-MMOPVJDHSA-N 558.591 2.396 0 40 KEAB biogenic CC(C)c1noc(CCC(=O)N2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)n1 585283721 GZCCDQOQMAMBAB-RUZDIDTESA-N 504.559 2.190 0 40 KEAB CC[C@H](O)[C@]1(C)OC(=O)[C@]2(C)C(=O)[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@@H]3O)[C@H](C)C[C@H](C)C(=O)C[C@H]21 604381328 JKPQPSCHAYEURG-YMZCBPTBSA-N 525.683 2.347 0 40 KEAB biogenic,in-vitro Cc1nc(N2CCC(C)CC2)ncc1C(=O)N1CCC2(CC1)CNC(=O)COc1ccccc1C[C@H](O)[C@H](O)C2 643565306 CAUOGIGJMSPLAX-LOSJGSFVSA-N 551.688 2.107 0 40 KEAB CN1CC(=O)NCCCOc2ccccc2C(=O)N[C@H](C(=O)O)CCC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C1=O 643570320 YINOSSSVLMZGJD-SQHAQQRYSA-N 630.698 2.427 0 40 KEAB O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccccc1Cl)CC2 1548890463 PSWJUSDZAYYGHM-NOZRDPDXSA-N 605.157 2.234 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 13775365 PUNJXCZQSJIVPF-YOKWNPFVSA-N 510.568 2.443 0 40 KEAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2)CC1 20032681 YCPZJYBUQHVXPY-UHFFFAOYSA-N 509.650 2.053 0 40 KEAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)Oc2ccccc21 20456863 AUOLPVMURLEZPS-NRFANRHFSA-N 502.574 2.438 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C1 59838801 OIXSTACSCUESTL-KRWDZBQOSA-N 530.068 2.316 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@]2(C)C[C@@H](C)/C(=N/[C@H](C)[C@@H](O)[C@]1(C)O)O2 85867012 BPENQAXMHXRNMD-HWWTZDRTSA-N 730.937 2.405 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc(Br)cc3)S(C)(=O)=O)CC2)cc1 100078945 MWJLPBXFSVNHAX-UHFFFAOYSA-N 530.466 2.057 0 40 KEAB CCCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)nc2cc(S(N)(=O)=O)ccc21 103088311 ATTVMRVQLHEXRN-UHFFFAOYSA-N 597.741 2.244 0 40 KEAB C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC(=O)N[C@@H](COC(C)(C)C)C(=O)N1 643571912 QFPFGSRYDZKQCG-NYMACZPPSA-N 626.726 2.376 0 40 KEAB COC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 1423935 FCQULOPDJHWNST-UHFFFAOYSA-N 507.572 2.308 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)o1 19825959 OPCIKYLRJBNDAS-HSZRJFAPSA-N 527.626 2.350 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20031228 YXOFNCHIEAMXNL-UHFFFAOYSA-N 516.041 2.070 0 40 KEAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 32957560 GBQMBTMPFICXLQ-GOSISDBHSA-N 523.633 2.100 0 40 KEAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(c3cccc(Cl)c3)CC1)n2CCCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 157200265 YBJJMKMLNDFXQG-UHFFFAOYSA-N 761.675 2.210 0 40 KEAB CS(=O)(=O)N(CCCC(=O)NCc1ccc(CN2CCCC2=O)cc1)c1ccc2c(c1)OCCO2 223501208 ZKIRTGPRLMGELP-UHFFFAOYSA-N 501.605 2.443 0 40 KEAB CCOC(=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)sc1[C@H]2c1ccc(OC)c(OC)c1 245245389 ILIWIHNLKASJOV-GIUCKOKDSA-N 530.624 2.490 0 40 KEAB Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCn3ccnc3C)CCO2)ccc1Cl 585286325 NYQOOHAGHCZWND-SANMLTNESA-N 518.058 2.384 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC(C(=O)O)CC1 38139994 POVQJQHUPJJVAW-NWVWQQAFSA-N 534.613 2.328 0 40 KEAB biogenic CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCOC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 102939483 VVNBBXKDJJBYRI-UHFFFAOYSA-N 537.660 2.088 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 222841237 AISBEXUQQQOWGZ-HNNXBMFYSA-N 512.426 2.387 0 40 KEAB O=C(CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 257204754 AWELJOAGJGRSCJ-AHWVRZQESA-N 515.632 2.096 0 40 KEAB CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643573255 REQLYMKAFQSANE-IWILMGSCSA-N 740.902 2.431 0 40 KEAB CCCCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc2cc(S(N)(=O)=O)ccc21 3234948 ZMTAHUAVAUWRHY-UHFFFAOYSA-N 505.622 2.154 0 40 KEAB COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N 6136218 GJCRPEPUAOAENO-FQEVSTJZSA-N 508.560 2.112 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 20037287 SJWWWJYVFGULBY-UHFFFAOYSA-N 511.622 2.427 0 40 KEAB COc1cc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3cc(OC)c(Cl)cc3OC)CC2)c(OC)cc1Cl 59211829 YJTSRTXBZYRZCY-UHFFFAOYSA-N 598.527 2.313 0 40 KEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC(C)C)C2=O)cc1 95568115 OXQHZKLQGSUWSB-SANMLTNESA-N 544.630 2.209 0 40 KEAB CCOc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 165284707 PWRAKSLQYJOYMW-UHFFFAOYSA-N 505.593 2.022 0 40 KEAB COCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 222888233 RVYDYQLPMQMFLL-SFHVURJKSA-N 505.612 2.379 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN(C)C)CCC(=O)N(Cc2ccccc2)CC(=O)N(C)CC(=O)N1 643571766 ILIOQBIOFZGMHR-JDXGNMNLSA-N 664.848 2.434 0 40 KEAB CC(=O)Oc1ccc2c(C)c(CC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c(=O)oc2c1 9341759 CIJKUIGBELVVOD-XMMPIXPASA-N 506.511 2.080 0 40 KEAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 13019787 CRFQJNLWUJTDEL-UHFFFAOYSA-N 517.551 2.392 0 40 KEAB Cc1ccc(S(=O)(=O)N2CN3CN(S(=O)(=O)c4ccc(C)cc4)CC(Br)(C3)C2)cc1 19313015 XBWULHXXTBLFQP-UHFFFAOYSA-N 514.467 2.363 0 40 KEAB COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(C)c(Cl)c2)CC1 19818721 JAPCKKXFKBKQCY-QFIPXVFZSA-N 514.026 2.135 0 40 KEAB CN1CCN(CCCNC(=O)CCc2nnc3n(Cc4ccccc4Cl)c(=O)c4ccccc4n23)CC1 20378271 IBTZJLVVOHZPBM-UHFFFAOYSA-N 522.053 2.432 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 59852451 YDFJRGKTQHSRGQ-UHFFFAOYSA-N 539.632 2.393 0 40 KEAB C[C@@H]1[C@@H](NC(=O)COc2ccccc2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCCN3CCOCC3)[C@H](O)[C@@H]12 67898939 HAGRXIQWFTVOSN-PNOUPAOHSA-N 515.695 2.458 0 40 KEAB biogenic,in-vitro C[C@H]1CC[C@]2(C(=O)O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]43C)[C@@H]2[C@@]1(C)O 67912985 LARPFJIXBULVPK-BOKVMPGTSA-N 650.850 2.435 0 40 KEAB biogenic,in-vitro Cc1ccc(C)c(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1 224462713 ULFONAQBBNXZRT-UHFFFAOYSA-N 553.703 2.066 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCN(c2ccccc2OC)CC1 225346089 UQWGNVKEVCPWGE-UHFFFAOYSA-N 503.621 2.006 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](O[C@H](C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 575372270 OWMZHUQIGVVXJE-JHCBRMMASA-N 959.904 2.003 0 40 KEAB CCN1C[C@@]2(COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)CC[C@@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@H]5[C@H]6OC)[C@@](O)([C@@H](OC)[C@@H]32)[C@H]14 584567013 XLTANAWLDBYGFU-LSCQYGPLSA-N 682.811 2.035 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCCN3CCCC3=O)c2)C[C@@](O)(COc2ccccc2)C1 585281151 WQMPVXHLKUJXPZ-LJAQVGFWSA-N 525.646 2.179 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccc(OC)c4)o3)cc2)CC1 9412668 AWTNOLLGSZIFIY-UHFFFAOYSA-N 515.548 2.460 0 40 KEAB Cc1cccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 13636506 IOCBYBLGXLQTLJ-QFIPXVFZSA-N 517.552 2.492 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 22529882 SYQPIFPBYKWOTB-UHFFFAOYSA-N 511.622 2.201 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 44846841 CSFUWHPQVVFDTR-OAHLLOKOSA-N 501.652 2.483 0 40 KEAB Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N3)cc1 100868979 CYBSFFGDRKWIDR-IBGZPJMESA-N 514.869 2.176 0 40 KEAB CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)[C@@H](O)C[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O 254399775 CPFNIKYEDJFRAT-QVNHAXPJSA-N 550.689 2.081 0 40 KEAB biogenic CC(C)c1ccc(S(=O)(=O)NCCN([C@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2ccc(C(C)C)cc2)cc1 575420099 FQYBNWCRBNBBFN-BJKOFHAPSA-N 558.744 2.061 0 40 KEAB COc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c(OC)c1 1222962 QLRCQZWHSTYPAB-UHFFFAOYSA-N 513.551 2.369 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc2)CC1 4177341 MXMNNYIMAKPZJQ-UHFFFAOYSA-N 520.633 2.441 0 40 KEAB O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NC[C@@H](c1cccs1)N1CCOCC1 13007236 IUUZYSKEVBOQAJ-KRWDZBQOSA-N 502.456 2.369 0 40 KEAB COCCNC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc(OC)cc3)C(=O)N12 20642849 LJFRLCOJECTYFR-NRFANRHFSA-N 523.615 2.246 0 40 KEAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 38140326 JJDYTHGEHOWIEA-UHFFFAOYSA-N 536.050 2.444 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Cl)c3C3CC3)[C@H]2SC1 97945781 PPKUMWINOMGOGU-ZPEWRENVSA-N 536.916 2.295 0 40 KEAB COCCN(C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 97982502 RGHWHNVRSUAINA-UHFFFAOYSA-N 595.616 2.251 0 40 KEAB COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2cc(OC)ccc21 100877009 LYHVYCLLBUOBCC-SCDOFFFQSA-N 533.628 2.423 0 40 KEAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 103086743 IFNHKQCAVZWSFK-UHFFFAOYSA-N 548.832 2.453 0 40 KEAB COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NCc2ccccn2)c1 409383142 RWSKWMSLUIBUOD-FGZHOGPDSA-N 508.483 2.251 0 40 KEAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC 3770606 GLKZJSQDQYOMEL-RKKARLDVSA-N 502.596 2.435 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3cccc(Cl)c3C)S(C)(=O)=O)CC2)cc1 13671283 PRZJIFSHCVAQIP-UHFFFAOYSA-N 500.042 2.256 0 40 KEAB O=C(C1=NO[C@@H]2[C@H]3C[C@H]([C@@H]12)[C@H]1C(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)[C@@H]31)N1CCCC1 100924300 GUSGYQPWCNAVBH-BCZJYDOESA-N 525.915 2.410 0 40 KEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 102778259 LWTJMUMNXXAKAF-QFIPXVFZSA-N 563.032 2.071 0 40 KEAB COc1cc(OC)nc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)n1 102850112 UEVYSEIJENJGNO-UHFFFAOYSA-N 523.921 2.111 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3nnc(NC(=O)c4cccc(C)c4)s3)CC2)cc1 222812472 ONZCVOKQVPHHRO-UHFFFAOYSA-N 521.646 2.102 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 224211263 QIFDBFQUHOXEAT-UHFFFAOYSA-N 524.448 2.205 0 40 KEAB CCOC(=O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@@H](c3ccc(OC)c(OC)c3)c3sc(=O)[nH]c3S[C@@H]12 245245391 ILIWIHNLKASJOV-UOIBIHNKSA-N 530.624 2.490 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3)c(OC)c2)C[C@](O)(COc2ccccc2)C1 585280825 TUSZBRBNXXDAJH-MUUNZHRXSA-N 524.618 2.071 0 40 KEAB COCCN(C(=O)CSc1nnc(Nc2ccc(C)cc2)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 2641343 ZXBLWEZCJHKUAL-UHFFFAOYSA-N 519.653 2.450 0 40 KEAB COCCN(C(=O)CSc1nnc(C)n1-c1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38152767 MTCXUCAGCSERGI-UHFFFAOYSA-N 535.630 2.136 0 40 KEAB O=c1[nH]c(=O)n(C2CCCCC2)c(O)c1C(c1ccccn1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O 59417368 FYIIMOAYZQDMKW-UHFFFAOYSA-N 509.563 2.383 0 40 KEAB CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@@H]2ON=C([C@]3(C)NC(=O)N(c4ccccc4)N3)[C@H]2C1=O 100333422 IACLZCGNMWEOQR-LRDNONRASA-N 523.859 2.295 0 40 KEAB CC[C@@H](CCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1 100504298 PWKRIVHAEAYCHH-AAYNYZJGSA-N 561.749 2.235 0 40 KEAB in-vitro CCOC(=O)c1sc(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C(=O)OCC)c1C 103007638 VQYARYNOWOYJBS-UHFFFAOYSA-N 539.632 2.481 0 40 KEAB CCOC(=O)/C=c1\s/c(=C\c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c(=O)n1CC(=O)Nc1ccccc1C 150471156 FEBSAZQWRDXGFG-ZDGIKHLZSA-N 637.736 2.310 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409018554 XEURDVBXOWMKRC-FJSZTYFPSA-N 621.712 2.443 0 40 KEAB C/C(Br)=C/Cn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C 504759576 KOVUTSTYXMWMHQ-XBNGYDHASA-N 553.465 2.423 0 40 KEAB CCC(CC)NC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(CC)CCOc2ccccc2C(=O)N1 643582516 FIWQDACZEBVVKJ-ZEQRLZLVSA-N 522.646 2.448 0 40 KEAB CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 13109988 OOKSXEXVZXXNKA-UHFFFAOYSA-N 502.637 2.340 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccco3)n2)o1 19825952 UCDHMDNCNNRPRC-JOCHJYFZSA-N 513.599 2.041 0 40 KEAB COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1OC 38145154 RRVONYLMXOLTDR-VFNWGFHPSA-N 543.602 2.113 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224540232 HPIIJKGWQJJMGU-NRFANRHFSA-N 519.620 2.176 0 40 KEAB C[C@@H]1O[C@H](O[C@@H]2[C@H](O)C[C@H](O[C@@H]3[C@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)[C@@H](O)C[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@@H](O)[C@H]1O 253499051 LKRDZKPBAOKJBT-WROGDLMZSA-N 780.949 2.218 0 40 KEAB biogenic COc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1OC 260833497 XIIAEDXFJZTDFA-RUZDIDTESA-N 539.610 2.435 0 40 KEAB CC(C)[C@H]1NC(=O)CN(Cc2ccccc2)C(=O)C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643573301 SJXNGLYWMXOFDY-KMTBUPBDSA-N 726.875 2.390 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1 2058837 ADNUJAJXWQWULX-IZBTWGKQSA-N 536.562 2.267 0 40 KEAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 20032793 QJVGYXGQUYBTRN-UHFFFAOYSA-N 509.650 2.163 0 40 KEAB COCCN(C(=O)COC(=O)/C=C/c1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38152755 ZFKZXJACFLVAQK-VAWYXSNFSA-N 535.582 2.013 0 40 KEAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NCc1ccc(S(N)(=O)=O)cc1 59852054 VPCWTMRIKFAFNU-UHFFFAOYSA-N 529.640 2.479 0 40 KEAB Cn1c(=O)c2c(nc(N3CCN(c4cccc(Cl)c4)CC3)n2CCSc2nnnn2-c2ccccc2)n(C)c1=O 96019768 VOTODUOVYCPXBB-UHFFFAOYSA-N 579.090 2.182 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc2c(c1)OCO2)Cc1nnnn1C[C@H]1CCCO1)OCCO3 100368813 QMNFELVFZNBGMR-HXUWFJFHSA-N 532.557 2.396 0 40 KEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)NCc3ccc(Cl)cc3)CC2)c1 103128421 UBURXIHIPHOYLB-UHFFFAOYSA-N 536.050 2.430 0 40 KEAB CCn1c(COc2ccccc2Cl)nnc1S[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O 103506799 CBDVADVIHJPHMA-PJKILVJMSA-N 599.062 2.279 0 40 KEAB CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)[C@@H]1CCS(=O)(=O)C1 195529663 VNTISDIOZWRTSL-YLJYHZDGSA-N 520.629 2.019 0 40 KEAB COc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl 224457932 HTVDPHYSECKDLP-UHFFFAOYSA-N 590.120 2.111 0 40 KEAB CCOC(=O)[C@H](C)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 229868298 PKSYUSBHIMIUJC-GCDSYTDFSA-N 646.741 2.326 0 40 KEAB CCN1CC(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(F)cc2)CCC1=O 643577034 AEZSWMNUAAQLCI-BJKOFHAPSA-N 540.636 2.445 0 40 KEAB COc1cc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc(Br)c1OC(C)=O 16732748 XXAZKOHRPKUIOX-WQRHYEAKSA-N 514.357 2.346 0 40 KEAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(c4ccccc4OC)CC3)cc2c1 19973340 GJFRFYNXLYHAJK-VWLOTQADSA-N 519.606 2.480 0 40 KEAB COc1cc(C(=O)N[C@@H](C)[C@H]2COc3ccccc3O2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 85867658 ZHZATSUJZMAMLO-KCOILWLUSA-N 659.641 2.115 0 40 KEAB biogenic Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 100288913 WNXJSNKGBUIQKJ-SANMLTNESA-N 551.648 2.298 0 40 KEAB COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]5OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)cc3O2)cc1OC(C)=O 247896752 CZEMXLAKEGUZBI-KLIYPLBESA-N 904.824 2.488 0 40 KEAB biogenic,in-vitro CCOc1ccc(N([C@H](CC)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1 260890698 QINFSDOWVKJDRI-JOCHJYFZSA-N 527.665 2.075 0 40 KEAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408684967 KPZKIDWEWGIEEF-WBNGOHOVSA-N 502.523 2.373 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 585280316 MNPUHGFDIKSHAA-PMERELPUSA-N 604.651 2.165 0 40 KEAB COc1ccc(OCCN(C)C(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643578687 GCULITVZBLBXTE-DQEYMECFSA-N 568.671 2.103 0 40 KEAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2cccc(OC)c2)CC(=O)N[C@H](Cc2ccccc2)C1=O 643579054 OFAQZHJLGDQIJR-WUFINQPMSA-N 602.688 2.347 0 40 KEAB COCC(=O)N1CCN(C(=O)c2ccc(C)c(C)c2)CCCCOC[C@H](O)[C@H](O)[C@@H](OC)[C@@H]1CC(C)C 643587081 SUCRPTDQADBVSQ-DROSFRCNSA-N 522.683 2.183 0 40 KEAB COc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)Nc3ccc(Br)c(C)c3)CC2)cc1OC 8451932 GBUHYQTWKIKMNY-UHFFFAOYSA-N 533.423 2.287 0 40 KEAB COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C)C(=O)NC2CCCCC2)cc1OC 12715149 GIVQTPCCIWGWIM-AWEZNQCLSA-N 503.625 2.364 0 40 KEAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)cc1C 20032535 ZSJNTSOYDDCLGS-UHFFFAOYSA-N 503.602 2.447 0 40 KEAB COCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222777848 WXAYPPXSPAHFGN-FQEVSTJZSA-N 568.092 2.310 0 40 KEAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1 224480620 LGVIBZIGGFFBAX-UHFFFAOYSA-N 560.094 2.102 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N23)cc1 585148584 COGTYSHJNXDMDT-MHZLTWQESA-N 659.794 2.124 0 40 KEAB CCOC(=O)CC[C@H](NC(=O)CCCCCCCC(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC 6546136 WMIZMOTUQDMONP-SFTDATJTSA-N 558.669 2.500 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1CC 6860630 RYXLEUUKYVLVCV-FQEVSTJZSA-N 513.576 2.355 0 40 KEAB COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(C(C)C)cc2)CC1 20803090 PYRDSEZUJXEQMS-XMMPIXPASA-N 507.635 2.296 0 40 KEAB COCCN(C(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38140451 ATKRPDSJDALURQ-UHFFFAOYSA-N 542.976 2.006 0 40 KEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)c1ccc2c(c1)OCO2 60028811 VADGAAVNOPLIEA-UHFFFAOYSA-N 547.615 2.418 0 40 KEAB COc1cc(/C=c2/sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)ccc1O 96913839 QEUQPXVRXITPMN-OHNPLZAESA-N 527.606 2.333 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3F)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 103692742 YKEMJYWTAXGIRJ-URYJJRPLSA-N 576.526 2.419 0 40 KEAB CCOC(=O)CNc1nn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=O 150531146 YIBGABDTNWKKJI-RRYSNUMESA-N 658.620 2.112 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 224037019 UYTXEEHLBVPAIX-FQEVSTJZSA-N 504.653 2.478 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224237375 LLYNEVZXLSPAOY-QFIPXVFZSA-N 511.666 2.294 0 40 KEAB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)CC1 224407145 PYPVVBIYVNKQLR-UHFFFAOYSA-N 585.148 2.260 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(F)cc2)cc1 224451583 IJEDHWCEKZPHGS-UHFFFAOYSA-N 607.682 2.246 0 40 KEAB CN1CCN(S(=O)(=O)c2cc(C(=O)NCc3ccc(CN4CCOCC4)cc3)ccc2Cl)CC1 224576968 KYXYYAZPUWFEHY-UHFFFAOYSA-N 507.056 2.038 0 40 KEAB CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)C2CCOCC2)CCCCOC[C@@H](O)[C@H]1O 643913210 LCXHXNPVNORVFN-ZONZVBGPSA-N 552.684 2.487 0 40 KEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)ccc1C 16035616 DXTFFZIMRISZND-UHFFFAOYSA-N 518.013 2.122 0 40 KEAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CC(=O)O)C(=O)[C@H]45)[C@@H]32)cc1OC 100864301 ACVICMKIVRMSAI-YBNHPJFCSA-N 502.570 2.012 0 40 KEAB COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1 170593563 CJIALWJKWYIUOU-QPSIXJLBSA-N 566.394 2.394 0 40 KEAB CCN1C[C@@]2(COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)CC[C@H](OC)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC)[C@](O)([C@@H](OC)[C@H]32)[C@@H]14 253494423 XLTANAWLDBYGFU-FXPNHXDXSA-N 682.811 2.035 0 40 KEAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 408681570 YBFJABCRGCVXCA-UHFFFAOYSA-N 521.661 2.196 0 40 KEAB CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)cc2)CC1 409205851 KSJOIHXNKGVOJQ-UHFFFAOYSA-N 534.631 2.405 0 40 KEAB NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1 409385766 ISRINCYKAJLHPS-CYBMUJFWSA-N 502.412 2.136 0 40 KEAB CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36296056 LHBHCTQEZCWIFJ-UHFFFAOYSA-N 521.694 2.397 0 40 KEAB CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 70700343 DQYHJNRIHHTMIO-VABKMULXSA-N 520.586 2.080 0 40 KEAB biogenic O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2 100294545 OOHRHZKKFIFDBW-KDXMTYKHSA-N 557.625 2.356 0 40 KEAB CCOC(=O)c1[nH]c(COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)O)c(C(=O)OCC)c1C 101470942 GVWRBODKSJXZGL-DJJJIMSYSA-N 530.983 2.101 0 40 KEAB CC(=O)O[C@H]1C2=C(C)[C@H](OC(C)=O)C[C@](O)([C@H](OC(=O)c3ccccc3)[C@H]3[C@@]4(OC(C)=O)CO[C@H]4C[C@@H](O)[C@]3(C)[C@@H]1O)C2(C)C 169670785 WPPPFZJNKLMYBW-GQSBJNLDSA-N 630.687 2.015 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 224349614 QQLXVJHLICSZAW-HXUWFJFHSA-N 521.661 2.067 0 40 KEAB C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224484039 JWMFTAJCTHDNPA-MRXNPFEDSA-N 580.512 2.364 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225544717 CIHGVCFMPJALGD-QGZVFWFLSA-N 528.052 2.400 0 40 KEAB O=C1C[C@@H](C(=O)NCCN2CCCCCC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1 643567354 ZNQPFTJUMFERMN-PKXQUSJVSA-N 589.737 2.278 0 40 KEAB COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@H](C)COc3ccccc3C(=O)N2)c1 643571796 LGYDFNOZOPTFPG-YNJKOYDBSA-N 582.698 2.130 0 40 KEAB CC(C)(C)NC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2 6074338 XAVTWFJOFAKKPA-DHUJRADRSA-N 505.568 2.232 0 40 KEAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59837750 JTIGDKMMYWTLSY-UHFFFAOYSA-N 561.657 2.354 0 40 KEAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)OCO2 60028188 NLTALZCMOJPAJU-UHFFFAOYSA-N 533.588 2.191 0 40 KEAB COc1ccccc1N1CCN(C(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)CC1 101354088 IXQGADFJDHFSJA-UHFFFAOYSA-N 559.623 2.326 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 105501263 CGLLGWZEENHTLO-QJWUKVPRSA-N 536.562 2.461 0 40 KEAB CO[C@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@@H]3C2)[C@H]1O 118917653 SOPZOCCINHAAOP-ZAJCJPNJSA-N 550.689 2.081 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N 6601359 CPTOJZOMHKOURF-FQEVSTJZSA-N 545.643 2.347 0 40 KEAB O=C(CN(Cc1ccco1)C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NCc1ccccc1 19941304 FCZMQCOMMJHVHD-PSXMRANNSA-N 511.556 2.041 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1Cl 59838596 ACCNAMSQIISLHV-KRWDZBQOSA-N 530.068 2.316 0 40 KEAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)CC1 100777443 KTTREQXRGWAXJQ-YRPNKDGESA-N 519.595 2.089 0 40 KEAB COc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 224437458 UGDRBUKCGIBUFX-UHFFFAOYSA-N 589.692 2.107 0 40 KEAB COc1ccc(OC)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 224449315 NBSHXVFQEIGYQJ-UHFFFAOYSA-N 679.770 2.132 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1 226050397 RSYODZUJTRJLLI-OAQYLSRUSA-N 565.714 2.248 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 409151977 DCAMQCJMDVOQDW-MGXIGDRJSA-N 591.686 2.435 0 40 KEAB O=C1C[C@@H](C(=O)NCCCn2ccnc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 643577332 VADXGQIMSSENAJ-AFEGWXKPSA-N 732.842 2.413 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 8417141 KVKPMJCOWPEUBL-BYQOKHBMSA-N 562.597 2.499 0 40 KEAB COC(=O)[C@H](C)NC(=S)N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C[C@@H]1C 9273941 DSIWMBJGALIHHO-STQMWFEESA-N 520.583 2.129 0 40 KEAB CC(=O)N[C@H](Cc1cccn1C)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 13564860 FAAHXMYQMMBHQJ-LJQANCHMSA-N 500.543 2.061 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)c1 59838509 WORMRHUCBGKUOT-UHFFFAOYSA-N 551.687 2.205 0 40 KEAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1=O 96019783 WPLUCINDFYBZPK-SANMLTNESA-N 542.564 2.418 0 40 KEAB CCOC(=O)C1=C(COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)NC(=O)N[C@H]1c1ccco1 102220299 RAGWQUBRCQJUTR-NRFANRHFSA-N 533.559 2.101 0 40 KEAB CC[C@@H](C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O 2964623 SDCAAGJNPAEIEF-VFNWGFHPSA-N 513.645 2.431 0 40 KEAB CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)N(CC)[C@@H]4CCS(=O)(=O)C4)cc3C2=O)cc1 3427229 ICEWADUFRTZGMY-GOSISDBHSA-N 514.556 2.078 0 40 KEAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)c2C(N)=O)C1 4177816 NWFBISXWESOSOC-GJZGRUSLSA-N 550.659 2.412 0 40 KEAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 20032440 RNOQVFKSHGCENL-UHFFFAOYSA-N 509.650 2.101 0 40 KEAB COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccco2)c1 38145778 WYEGINAKLHNBAR-QFQXNSOFSA-N 567.620 2.498 0 40 KEAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 59838350 ZQSNEIAJQQFVKE-QHCPKHFHSA-N 545.683 2.460 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC 101511234 YJRVQDXLVIHSPY-MLJBDGAYSA-N 581.647 2.078 0 40 KEAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c(F)c1F 105318794 QVISKWQCCKVYPU-UHFFFAOYSA-N 520.530 2.460 0 40 KEAB CCOCCOCCOCCCNCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CNCCCOCCOCCOCC)cc2)cc1 150372228 HVXYZUZZCWRVSP-UHFFFAOYSA-N 710.891 2.495 0 40 KEAB NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)[C@H](N)CCC(=O)OCc1ccccc1 150381722 AWIRJCQDVRTPRD-NGDRWEMDSA-N 674.751 2.339 0 40 KEAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]54)[C@@H]32)cc1OC 169678209 SQEAXPYQNGORDS-JPTMXNQKSA-N 516.597 2.402 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 261499176 XSOLDPYUICCHJX-KWMNETQDSA-N 515.713 2.368 0 40 KEAB endogenous,in-man CC1=C[C@H]2O[C@H]3C[C@H]4OC(=O)C=CC=C[C@@H]([C@@H](C)O)OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@@]4(C)[C@@]31CO1 299888538 NSFWWJIQIKBZMJ-MDXRBNAKSA-N 532.630 2.393 0 40 KEAB COCCN1CCN(C(=O)CN2CCCCCCOc3ccccc3N(CC(=O)N3CCN(CCOC)CC3)c3cncc(c3)C2=O)CC1 643585292 WKODLZXNAMSHMP-UHFFFAOYSA-N 679.863 2.196 0 40 KEAB CCn1cc(C(=O)N2CCN(C(C)C)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 67337559 LLQGLLDQGXVCFR-UHFFFAOYSA-N 509.076 2.234 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cc1OC 102349829 FYRZVSOIGHVIHN-UHFFFAOYSA-N 527.628 2.342 0 40 KEAB COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223221593 XDHIVTULXZZGKI-SSEXGKCCSA-N 625.744 2.498 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)cc1OC 224448959 KAOCEJVASHYVKJ-UHFFFAOYSA-N 619.718 2.115 0 40 KEAB CC[C@@]1(NC(=O)[C@@H]2C[C@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O 1569992308 DFWHWFLWRXBPGX-LIWADTPXSA-N 597.716 2.471 0 40 KEAB Cc1cc(C)c2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(I)cc1)CN=3)C(=O)N2 2260115 GLTIKZQCTAIGNJ-VLGSPTGOSA-N 516.364 2.337 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 5223474 DHEYTJVPOXJDMJ-ZLILOBPGSA-N 579.580 2.044 0 40 KEAB CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(N)=O 6135084 SKCBOHGILGKGJY-DXBBTUNJSA-N 553.745 2.464 0 40 KEAB COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F 6905028 QKEKECRMVPBPLZ-LJQANCHMSA-N 501.540 2.123 0 40 KEAB COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)CC2=O)c1 9525904 HRBFTCSOOVVAPG-AWEZNQCLSA-N 505.911 2.041 0 40 KEAB COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)Nc2ccc(F)cc2F)cc1 16955009 AHXAFCLMZYLKFJ-UHFFFAOYSA-N 500.487 2.252 0 40 KEAB CCN(C(=O)CSc1nc2ccc(O)cc2c(=O)n1-c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 38145286 MLNKLXWDOSTDBU-INIZCTEOSA-N 533.628 2.236 0 40 KEAB CCOC(=O)C1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)CC1 67338356 OOYAZTDHQKVIRK-UHFFFAOYSA-N 531.679 2.446 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 222756952 XYXMNSHIQQTERZ-DEOSSOPVSA-N 509.584 2.426 0 40 KEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 223538765 BXIIWIKWDNEHRP-UHFFFAOYSA-N 501.577 2.351 0 40 KEAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224608314 OGFUFDPJDVSERK-NRFANRHFSA-N 505.637 2.456 0 40 KEAB CC1(C)NC(=O)N(CCCOc2ccc(CN3CC[C@H](O)[C@@](O)(COc4ccc(F)cc4)C3)cc2)C1=O 585282128 YBMFMVCKNSQMJW-HOFKKMOUSA-N 515.582 2.302 0 40 KEAB COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)NCCCOc3ccccc3C(=O)N2)c1 643565782 NNXHMCDIVMTJJH-DQEYMECFSA-N 552.672 2.362 0 40 KEAB O=C1CN(CCCOc2ccc(CN3CCOC[C@](O)(COc4cccc(Cl)c4)C3)cc2)C(=O)N1 2037928457 BTEBSZFMQFOXMQ-VWLOTQADSA-N 503.983 2.303 0 40 KEAB CN1CC(=O)N(CCCOc2ccc(CN3CCOC[C@](O)(COc4ccc(F)cc4)C3)cc2)C1=O 2037940827 KXMLYUGDTLNEQH-SANMLTNESA-N 501.555 2.131 0 40 KEAB CCOC(=O)Cc1csc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)n1 6194921 UPDPIRNPFZAHHZ-UHFFFAOYSA-N 542.643 2.083 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)N[C@H](C(=O)O)c3ccccc3)CC2)C(C)C)cc1 8918102 BUKIYBRHWQNVOV-GOTSBHOMSA-N 515.632 2.479 0 40 KEAB biogenic CCOC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 13134404 PGVIGGLXVHWIET-QFIPXVFZSA-N 514.600 2.375 0 40 KEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20098156 QLKXZZVJEJCTSR-IBGZPJMESA-N 521.661 2.485 0 40 KEAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](C)C(=O)NCCN2CCOCC2)cc1 222953675 VOZNLIUBGNZHEB-XMMPIXPASA-N 586.755 2.278 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223013534 GNMWNGDFKZEQCZ-HNNXBMFYSA-N 540.436 2.497 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 224456096 MXDKXMISSMPFFM-UHFFFAOYSA-N 628.773 2.023 0 40 KEAB CN1CCC(N2CCN3C(=O)c4ccc(-c5ccccc5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1 514287367 JKJVGSAWFVUWOP-UTDCNRKPSA-N 562.711 2.381 0 40 KEAB CC(C)N1CCOc2ccccc2CCCC[C@]2(CN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CCO2)C1=O 643556189 HMJIIFGOOBILDY-LJAQVGFWSA-N 569.680 2.471 0 40 KEAB O=C(N[C@H]1OC(=O)C(Br)=C1Br)N[C@H]1OC(=O)C(Br)=C1Br 3102181 JZHRZXBIRHWARA-WDSKDSINSA-N 539.756 2.054 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 11026973 DHEYTJVPOXJDMJ-PUHDZGQXSA-N 579.580 2.044 0 40 KEAB Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2ccco2)C(=O)N2CCN(C(=O)c3ccccc3C)CC2)cc1 12374401 PTROKCXRUUWLDH-DEOSSOPVSA-N 509.584 2.411 0 40 KEAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NC(=O)[C@@H]1COc2ccccc2O1 14357600 SBYVARALHQERSX-APWZRJJASA-N 506.964 2.218 0 40 KEAB O=C(c1ccco1)N1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C2CCCC2)CC1 20080837 RHZKBYRSPCSYPM-HSZRJFAPSA-N 517.546 2.499 0 40 KEAB CC[C@H](C)N(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@@H]1CCS(=O)(=O)C1 23080651 JMBOKOCQFJPQRB-PZJWPPBQSA-N 528.693 2.062 0 40 KEAB CCn1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36296013 KPWZNYCRZAUYHX-SFHVURJKSA-N 506.698 2.394 0 40 KEAB COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)CC1=O 138805722 VFJONJPZLVJVLT-CYBMUJFWSA-N 509.437 2.398 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 2177040 YJRVQDXLVIHSPY-WDONWYDGSA-N 581.647 2.078 0 40 KEAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)C[S@@](=O)C3)cc1 6208145 KQAJTUBXYFFNSW-XIFFEERXSA-N 500.602 2.216 0 40 KEAB COc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC3(CC2)NCCc2[nH]cnc23)cc(OC)c1OC 8791884 CNPITRYIWYMFMA-QFIPXVFZSA-N 533.629 2.440 0 40 KEAB biogenic CCn1cc(S(=O)(=O)N(c2ccc(CCN3CCCC3)cc2)S(=O)(=O)c2cnn(CC)c2)cn1 14000314 VTDQOCUBEMJCOW-UHFFFAOYSA-N 506.654 2.342 0 40 KEAB O=c1c(C(c2ccc3c(c2)OCO3)c2c(O)nc3n(c2=O)CCCS3)c(O)nc2n1CCCS2 18081026 DSWDOEWBSRGGDB-UHFFFAOYSA-N 500.558 2.112 0 40 KEAB CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)O 22000462 WEPXGLCNGPXOQG-SLFFLAALSA-N 529.556 2.434 0 40 KEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 59838500 NZBSZNGNPUWTAF-LJQANCHMSA-N 542.079 2.078 0 40 KEAB Cc1oc2cc3oc(=O)c(CCC(=O)NCC(=O)N4CCC(C(=O)NCCC(=O)NCCCC(=O)O)CC4)c(C)c3cc2c1C 97956952 KFWFHCQOVYQYBC-UHFFFAOYSA-N 624.691 2.239 0 40 KEAB Cc1cn2c(=O)c(C(=O)NC[C@@H]3CCC[C@@H](CNC(=O)c4cnc5sc(C)cn5c4=O)C3)cnc2s1 97990907 RSXIVQZMSHCQJV-HZPDHXFCSA-N 526.644 2.408 0 40 KEAB O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NC[C@H]3CCCO3)N2C1=O)NCc1ccc2c(c1)OCO2 102737509 NNBNGUBQKWNUDZ-WIYYLYMNSA-N 563.636 2.499 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 224490081 YXQCKDCMURZCNQ-OAQYLSRUSA-N 586.132 2.098 0 40 KEAB CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N([C@H](C)C(=O)O)C(=O)[C@H]54)[C@H]23)ccc1O 245237177 XUUMTQZOYYLJEH-AOSSMOFDSA-N 516.597 2.487 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253499074 LTMHDMANZUZIPE-JXNGCOOESA-N 780.949 2.218 0 40 KEAB biogenic COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 408605628 NDZRSNUGHICQLS-UHFFFAOYSA-N 501.527 2.358 0 40 KEAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 3342470 CNCXTZJKLXNLFV-UHFFFAOYSA-N 501.483 2.246 0 40 KEAB CCN(CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCCCN1CCOCC1 6193005 SNBQGWGCUKXOOA-UHFFFAOYSA-N 517.696 2.388 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC 6546911 ZMJJFGFJUONPNH-QHCPKHFHSA-N 580.623 2.390 0 40 KEAB COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)N1CCCCC1 9694768 GYVGCCIRKSEAFF-UHFFFAOYSA-N 510.638 2.365 0 40 KEAB COc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(N(C)S(C)(=O)=O)cc1OC 20033561 SWXJHJQGVCIVLD-UHFFFAOYSA-N 525.649 2.204 0 40 KEAB CCN1CCN([C@@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)c2nnnn2Cc2ccc(OC)cc2)CC1 20080718 RYGQYUSKRBZQID-VWLOTQADSA-N 519.606 2.316 0 40 KEAB COC(=O)[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 77286261 ZHWYIYHBFWANGL-YYDZWWTMSA-N 570.503 2.237 0 40 KEAB in-vitro C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222856878 JRNHIQSMFSUURI-NRFANRHFSA-N 570.643 2.354 0 40 KEAB CCOCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222934948 BPDRFLCFNHRGDH-QFIPXVFZSA-N 577.700 2.055 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Br)c3C3CC3)[C@@H]2SC1 224067726 CPXOKHOGWXQWHX-RKIARWQSSA-N 581.367 2.405 0 40 KEAB C[C@H]1O[C@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253499076 LTMHDMANZUZIPE-KIBGAUFBSA-N 780.949 2.218 0 40 KEAB biogenic CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1[C@]3(C)CC[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C 257536874 RWXIFXNRCLMQCD-MSMWNHFLSA-N 785.025 2.149 0 40 KEAB endogenous,in-man COC(=O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C(=O)OC)c3)CC2)ccc1Cl 1102362 VOZNLXGPYQBMEI-UHFFFAOYSA-N 551.426 2.262 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4c(Cl)c(C(F)(F)F)nn4C)[C@@H]3SC2)s1 2784552 XCHROZGFNMDEOE-RTHLEPHNSA-N 554.985 2.397 0 40 KEAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)cc1 13068366 XSNUBGHYBBIBDD-ZCRIDZFUSA-N 517.336 2.327 0 40 KEAB COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)cc1 20609931 BQGBCXKIRZVIBC-RPLLCQBOSA-N 516.598 2.362 0 40 KEAB biogenic NC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)sc2c1CCC2 35526398 BGLVGTQHTCVSML-UHFFFAOYSA-N 516.567 2.300 0 40 KEAB COC1(OC)[C@H](O)[C@H](COP(N)O)O[C@]1(n1cnc2c(=O)nc(N)[nH]c21)C(c1ccccc1)(c1ccccc1)c1ccccc1 100796054 PBLQMVDFVZMIOK-STQREWSKSA-N 632.614 2.333 0 40 KEAB CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253500655 HUSISCNTLUEZCN-CAKDSEODSA-N 514.656 2.297 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 408990010 UWVFKOKISFXEJC-KGONEIDKSA-N 568.604 2.288 0 40 KEAB C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2C 2061000733 HDXIQHTUNGFJIC-HKOWWEFBSA-N 722.913 2.390 0 40 KEAB NCCCC[C@@H](C(=O)N[C@H](CO)C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5706721 ZIAMVTKDQAADQN-RTWAWAEBSA-N 501.536 2.021 0 40 KEAB O=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1C(c1ccccc1O)[C@@H]1C(=O)NC(=O)N(c2ccccc2)C1=O 16488572 ZGGFXENFVZEDGR-NHCUHLMSSA-N 512.478 2.274 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccn2)CC1)Nc1ccc(Oc2ccccc2)cc1 20101168 YBQHQELCTIFHTA-RUZDIDTESA-N 528.613 2.352 0 40 KEAB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]2[C@H]2C[C@@H]3[C@H]3C(=O)N(CC(=O)O)C(=O)[C@H]23)ccc1O 40205442 HUJWUIISPQBVIH-XURMZIDHSA-N 502.570 2.099 0 40 KEAB CCCN1CN([C@H](C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@H]23)c2ccc(O)cc2)CSC1=S 104297921 SIJFNKDGKLZGAX-RIFZZMRRSA-N 522.674 2.153 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](O[C@H](C)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 575372275 OWMZHUQIGVVXJE-MAIUQQIESA-N 959.904 2.003 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 585274609 LKTHJHGBBTUUIX-MUUNZHRXSA-N 560.598 2.350 0 40 KEAB CC1(C)NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O 643576460 JSSXKIMTLCTKDF-NSOVKSMOSA-N 661.731 2.030 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Cl 19820938 IZKVQACSYUHTER-NRFANRHFSA-N 504.418 2.471 0 40 KEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 20454952 LTXXYRFQULHSSS-UHFFFAOYSA-N 509.625 2.207 0 40 KEAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccccc1 97980063 OTLGCYVZGVSCFT-XNTDXEJSSA-N 547.630 2.393 0 40 KEAB CCOC(=O)CN1C(=O)[C@H]2[C@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5ccc(OC)c(OC)c5)[C@H]34)[C@@H]2C1=O 97987841 ILIWIHNLKASJOV-GNEXOOAWSA-N 530.624 2.490 0 40 KEAB O=C(CCCn1c(=O)c2ccccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccc2c(c1)OCO2 101304923 HXRJAZFOKAXVQN-UHFFFAOYSA-N 539.548 2.045 0 40 KEAB CN(C)S(=O)(=O)c1cc(S(=O)(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)ccc1Cl 3258330 KNVUMOPXDBVKTF-UHFFFAOYSA-N 501.435 2.327 0 40 KEAB CC[C@H](C)n1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 15913737 CSUNCQCPYDSZGT-PKOBYXMFSA-N 523.681 2.324 0 40 KEAB COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3cccc4ccccc34)CC2)c1 19821056 DCDYOBWSARKHSX-AREMUKBSSA-N 515.614 2.326 0 40 KEAB CN1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2C1 25156136 HBFSAZGHILKGNN-UHFFFAOYSA-N 524.599 2.039 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)COc3ccc(F)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 100072519 FHAFYTMDIMBRQD-UZINISAASA-N 592.525 2.255 0 40 KEAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CC(=O)O)C(=O)[C@H]45)[C@H]23)cc1OC 100864303 ACVICMKIVRMSAI-DMHJHBPNSA-N 502.570 2.012 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224236872 OFCPZZIWDOVBJL-HXUWFJFHSA-N 518.057 2.330 0 40 KEAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)s2)cc1 225159884 ARDAQMVEPGLPTN-UHFFFAOYSA-N 507.619 2.101 0 40 KEAB C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)N5C[C@@H](SC6=C(C(=O)O)N7C(=O)[C@H]([C@@H](C)O)[C@H]7[C@H]6C)C[C@H]5C(=O)Nc5cccc(C(=O)O)c5)c4)C3)[C@H](C)[C@H]12 306122182 QPSFVRZTQQVRAQ-BNCIILEKSA-N 933.031 2.049 0 40 KEAB COc1ccccc1OCC(=O)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1 643579229 XCJABIUAURBFOV-LOSJGSFVSA-N 555.672 2.419 0 40 KEAB COc1cccc(-c2ccc3c(c2)OCCC2(CCN(Cc4nccn4C)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 1548891302 ZGWMYCZONLMHOP-NOZRDPDXSA-N 595.722 2.153 0 40 KEAB CCOC(=O)/C=c1\s/c(=C\c2ccc(OC)c(OCC)c2)c(=O)n1CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 12634048 RWDMKFHQXCSUST-OHPBEMMRSA-N 516.660 2.430 0 40 KEAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 24749484 YDCNQBUICMDSPT-UHFFFAOYSA-N 515.009 2.326 0 40 KEAB O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)CC2)cc1 38144989 KOVBZTPCIRBOOA-UHFFFAOYSA-N 587.659 2.123 0 40 KEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1 59838714 RFCIIZYPJRAGHZ-HXUWFJFHSA-N 551.687 2.205 0 40 KEAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1OC 100306917 XIUGMHKTNBOIRT-UHFFFAOYSA-N 533.632 2.251 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccn4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 103692618 TUJBDTAESXDYIX-FWWXEKRMSA-N 569.519 2.317 0 40 KEAB C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224483762 OFGDATZDZHINKY-QGZVFWFLSA-N 579.619 2.076 0 40 KEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 226021184 SVYQVUKCTQAFLO-UHFFFAOYSA-N 504.428 2.267 0 40 KEAB C[C@]1(O)COC2(CCN(C(=O)c3ccc4nc(C(F)(F)F)[nH]c4c3)CC2)C[C@@H]1n1cnc2c(N)nc(N)nc21 257269211 MPANQVJHXXBQSC-NYHFZMIOSA-N 545.526 2.273 0 40 KEAB O=C1C=CCC2(CCN(CC(=O)Nc3ccc(F)cc3)CC2)C(=O)NCCCNC(=O)c2ccccc2OCCN1 2037879785 PXPGFMZLIGYCCK-UHFFFAOYSA-N 565.646 2.238 0 40 KEAB CC(C)[C@@H](C(=O)N1CCOCCN(C(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O 4018375 YWZYNRWRRPTFIV-HNRBIFIRSA-N 632.714 2.332 0 40 KEAB NCCCC[C@H](C(=O)N[C@@H](CO)C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5706720 ZIAMVTKDQAADQN-LEWJYISDSA-N 501.536 2.021 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N 6546977 DGWIWAGGFACCOX-SFHVURJKSA-N 519.580 2.088 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 8767142 YAKACQBIFZKQDQ-FIWMFUAISA-N 510.591 2.282 0 40 KEAB Cc1ccc2cc(CN(CCCN3CCOCC3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1C 19823513 CNWYJDYKCQHKIB-UHFFFAOYSA-N 515.724 2.266 0 40 KEAB Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)NCc1ccc2c(c1)OCO2 20416274 OTCGPSHESOGYOD-UHFFFAOYSA-N 507.569 2.058 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1ccc(OC)cc1 32967253 ZIFORTDXCJYQNE-UHFFFAOYSA-N 523.633 2.425 0 40 KEAB Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccnc2)ccc1-n1cnnn1 100337231 ATULLTNQPBOHQG-AJTFRIOCSA-N 552.599 2.180 0 40 KEAB CCS(=O)(=O)N(CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC)c1ccc2c(c1)OCCO2 215923947 SPRPRCBMXFHUTE-UHFFFAOYSA-N 539.632 2.046 0 40 KEAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225586112 HMFRYGARWMQMGD-KRWDZBQOSA-N 507.584 2.305 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 225671967 LXTSAKZACLMTTB-SFHVURJKSA-N 521.636 2.420 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031551 HGYZSEKAFYERFG-WCDDXEHASA-N 582.631 2.463 0 40 KEAB C[C@@H]1NC(=O)C2(CCCCOCCNC1=O)CCN(C(=O)Cn1nc(C(F)(F)F)c3c1CCCC3)CC2 643564181 SSZIILHSQAQZMT-KRWDZBQOSA-N 527.588 2.211 0 40 KEAB Cc1noc(C)c1-c1ccc2c(c1)NC(=O)CN1CCN(S(=O)(=O)c3c(C)nn(C)c3C)C[C@@H]1CO2 1772594766 WPXWOBODFFRTKS-LJQANCHMSA-N 514.608 2.015 0 40 KEAB CCOC(=O)Cn1nnnc1CN(Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 1373666 YXXQCWYLUNQKAB-UHFFFAOYSA-N 510.526 2.436 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 8399838 MLYBGHPZIBZTNA-UQTDQPHJSA-N 552.653 2.160 0 40 KEAB O=C(O)c1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)C2)c1 15907267 SDVJAQMWWUJJRL-MRXNPFEDSA-N 512.523 2.381 0 40 KEAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 22869287 XDCKYQXJRARDBJ-AMGIVPHBSA-N 559.627 2.338 0 40 KEAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[nH]c(=O)c32)cc(C(=O)OC)c1 40399855 OKZJBXJJLLTIDT-QGZVFWFLSA-N 521.486 2.160 0 40 KEAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](CC(N)=O)N[C@]23C(=O)Nc2ccc(Br)cc23)c1 64164941 SQWAPGHVFYOHHN-LAKHIVPPSA-N 503.353 2.106 0 40 KEAB CCCc1cc(=O)oc2cc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc12 70691874 HXXOYWHFIPTEDY-XDXGNBCUSA-N 534.514 2.207 0 40 KEAB biogenic COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC 100277288 DQYXSYPHHKMFLD-ABYGYWHVSA-N 625.702 2.084 0 40 KEAB COC1(OC)[C@@H](O)[C@@H](COP(N)O)O[C@]1(n1cnc2c(=O)nc(N)[nH]c21)C(c1ccccc1)(c1ccccc1)c1ccccc1 100796059 PBLQMVDFVZMIOK-IEXMYIOYSA-N 632.614 2.333 0 40 KEAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)Oc2ccccc21 215966546 YNMAXHZIODNFGG-NRFANRHFSA-N 531.616 2.450 0 40 KEAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1 224452187 QANBZMMEJYAYHV-UHFFFAOYSA-N 589.692 2.350 0 40 KEAB CC(=O)N1CC=CCN(C)C(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc2OC[C@H]1CC(C)C 1615190771 IWMOQGRPLWIBOM-OAQYLSRUSA-N 508.685 2.200 0 40 KEAB C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]45C)C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 2037521806 OHJWWOZXCKEOGK-LIDZFHPJSA-N 897.109 2.373 0 40 KEAB CCOC(=O)C[C@@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCC 5030821 VHOLNZGLSZSAPU-FCHUYYIVSA-N 528.558 2.416 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 6601634 IMPWOENQKYDQGC-JOCHJYFZSA-N 555.613 2.299 0 40 KEAB CCOC(=O)Nc1ccc(S(=O)(=O)N2c3ccc(S(=O)(=O)N4CCOCC4)cc3C[C@H]2C)cc1 10119383 UBEZMBGQDQYUGK-MRXNPFEDSA-N 509.606 2.416 0 40 KEAB Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3Cc2ccccc2)cc1 12376611 YWUMFFRDAWTLPT-LJQANCHMSA-N 511.507 2.225 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)Nc1ncc(Br)s1 13134499 UAQPTMRYKFTNDF-UHFFFAOYSA-N 504.384 2.030 0 40 KEAB C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 15319910 FVTZFOPRUPQXSV-SFCTUALJSA-N 524.577 2.038 0 40 KEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1C(=O)NC(C)C 20461572 UBWCOEVNOUENKF-UHFFFAOYSA-N 505.578 2.225 0 40 KEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 59838502 NZBSZNGNPUWTAF-IBGZPJMESA-N 542.079 2.078 0 40 KEAB CN1C(=O)N(C)C(=O)C(Cc2cn(C)c3ccccc23)(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C1=O 61992876 IYOUFVAUJIPHDU-MOPGFXCFSA-N 501.587 2.039 0 40 KEAB biogenic CCOC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C 85867203 GUCQNCIRWXJSOI-GPUOULLFSA-N 707.822 2.267 0 40 KEAB biogenic O=C(COC(=O)[C@@H]1CCCN1C(=O)c1cccs1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 102778655 UECVQWSIFZHDNO-KRWDZBQOSA-N 542.035 2.209 0 40 KEAB C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118913702 WBWWGRHZICKQGZ-FCJHKBNWSA-N 515.713 2.368 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(I)cc1 216016806 OVURBPIEZFBLPN-UHFFFAOYSA-N 587.421 2.287 0 40 KEAB Cc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1C 224291067 WSBSVZOHWGUWIV-UHFFFAOYSA-N 509.650 2.049 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Oc1ccccc1 224470412 YZPLZOVQEGQGOB-UHFFFAOYSA-N 589.692 2.461 0 40 KEAB O=S1(=O)C[C@@H](O)[C@H](N(c2cccc(O)c2)S(=O)(=O)c2cc(Br)ccc2Br)C1 575424940 WFMKFTQAMAETMR-HUUCEWRRSA-N 541.239 2.270 0 40 KEAB COCC(=O)N1CCN(Cc2cccc(OCCN(C)C)c2)C[C@](O)(COc2ccc(F)cc2F)C1 585283171 QOIFWBLMOSRZDX-AREMUKBSSA-N 507.578 2.006 0 40 KEAB CC(=O)N[C@H](C(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3)C(C)C 2037829068 XUUUAUDRNRZKFN-NFGXINMFSA-N 552.716 2.355 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 6547010 NEPKPQCJYJTPFL-FQEVSTJZSA-N 513.551 2.339 0 40 KEAB Cc1ccc(S(=O)(=O)NC(=O)NCC2CCN(C(=O)NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 16310161 GNVNYYQHGKIMBH-UHFFFAOYSA-N 508.622 2.102 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 19818652 GHQJVKGAVSGWPW-OAQYLSRUSA-N 503.525 2.183 0 40 KEAB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1C(=O)c2ccccc2C1=O 102777815 BJGSXHRQTPUCHZ-QFIPXVFZSA-N 564.016 2.163 0 40 KEAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222854099 MKYIXNCZVGMMCH-HXUWFJFHSA-N 535.638 2.415 0 40 KEAB CCOCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222938503 QQHSNQVQAAZCHP-NRFANRHFSA-N 519.664 2.417 0 40 KEAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCCCOC)cc1 222945310 GNKKVTDPJAFYMW-HXUWFJFHSA-N 519.664 2.496 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253499637 LTMHDMANZUZIPE-QUMJVBQCSA-N 780.949 2.218 0 40 KEAB CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC)c1ccc2c(c1)OCCO2 260762442 PZWMDOMKZPHCHC-MRXNPFEDSA-N 510.012 2.431 0 40 KEAB CS(=O)(=O)N1CCN(Cc2cccnc2)C[C@H](C(=O)NCCN2CCC3(CCCCCc4ccccc4OCCNC3=O)CC2)C1 643561226 CMJJTXIJRLMMCF-PMERELPUSA-N 654.878 2.285 0 40 KEAB COc1ccccc1CNC(=O)CN1CCC[C@@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1 2037879900 WIGBOGOBNPQBRL-LJAQVGFWSA-N 520.630 2.279 0 40 KEAB COC(=O)C1=c2s/c(=C\c3ccccc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 1822350 DQKSRVVLQSCGGB-LFPSXHGSSA-N 530.627 2.418 0 40 KEAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCC(=O)NCCc3ccccc3)s2)cc1 9600154 BOPNQJAATVNGRR-UHFFFAOYSA-N 505.647 2.492 0 40 KEAB COc1ccc(N2C(=O)/C(=C/c3ccco3)N=C2SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1Cl 103132788 MWYFJAUNKFLXMS-GDNBJRDFSA-N 529.962 2.281 0 40 KEAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223091499 ATSLBSADXRDDDP-OAQYLSRUSA-N 503.621 2.476 0 40 KEAB COc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Cl)c1OC 409095026 GZEAUKWQXZCWAH-UHFFFAOYSA-N 527.024 2.482 0 40 KEAB O=S1(=O)CC[C@H](N(CCNS(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1 575424431 LFMPVTDMKIEZHV-INIZCTEOSA-N 527.473 2.150 0 40 KEAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 3412588 HPDTXPFAKLMESJ-UHFFFAOYSA-N 500.982 2.324 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 8454199 IBCPCVZHIQCZTC-JGTYQCAFSA-N 548.621 2.006 0 40 KEAB O=C(C1=NO[C@@H]2[C@H]3C[C@@H]([C@@H]12)[C@H]1C(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)[C@@H]31)N1CCCC1 12956018 GUSGYQPWCNAVBH-KBEANUMRSA-N 525.915 2.410 0 40 KEAB CCOC(=O)[C@H](C)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](N)Cc1ccc(OCc2ccccc2)cc1 150381552 PKSYUSBHIMIUJC-SMVSGJMUSA-N 646.741 2.326 0 40 KEAB C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222779498 FLSDIGZOCPCBCK-HYBUGGRVSA-N 580.103 2.452 0 40 KEAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 226088150 PXZJTKNAZONNQJ-OAQYLSRUSA-N 505.662 2.231 0 40 KEAB COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(=O)O)N[C@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1OC 2130606 PXJBKSHAMFYIAA-WTLLVQHOSA-N 541.988 2.494 0 40 KEAB biogenic C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O 14128556 VBHNMKYRRNTFKC-QHCPKHFHSA-N 519.480 2.358 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 77272716 ZBWDFGPGCXFUBR-XMPCBSOPSA-N 525.510 2.019 0 40 KEAB in-vitro CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2 222913681 DQUZRNZETYYTFS-UHFFFAOYSA-N 523.633 2.427 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 224036680 MIWHAKULGOSJHP-QGZVFWFLSA-N 505.593 2.133 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 225283157 PPIZYLAAZQDRAW-UHFFFAOYSA-N 574.062 2.274 0 40 KEAB COc1cc([C@@H](CC(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)c2oc(C)cc(=O)c2O)ccc1O 524730146 XEZHBYABOQBERB-GOSISDBHSA-N 508.593 2.209 0 40 KEAB biogenic COCCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1 6904800 ZVFRLJNCWBOMOL-HXUWFJFHSA-N 519.624 2.120 0 40 KEAB COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2ccco2)c2cccnc2)cc1OC 12485636 UIAWRMYOHINNAX-NLFFAJNJSA-N 522.558 2.491 0 40 KEAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 12533532 XJODCYAKVDVGCN-UHFFFAOYSA-N 507.590 2.464 0 40 KEAB O=C1[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2 13817384 IMOFIOKIGSXYRE-IGGVYQGESA-N 515.497 2.470 0 40 KEAB CCn1cc(C(=O)N2CCN(CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 67338415 UNDGGIQNGRCXRZ-UHFFFAOYSA-N 516.712 2.445 0 40 KEAB COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)c1 100626447 UGFDSKRIBKKXLI-BTYSJIOQSA-N 597.636 2.494 0 40 KEAB C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224409323 IDTVKEZXVLTLDO-KRWDZBQOSA-N 545.630 2.489 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)cc1Cl 260746414 RSFOFSZGOSOEIS-KRWDZBQOSA-N 530.068 2.152 0 40 KEAB CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)N2C[C@H](C)O[C@H](C)C2)CCC(=O)NC2(CCCC2)C(=O)N1 643579419 XUKJTCUDKOOFCV-PABCKOPISA-N 542.677 2.163 0 40 KEAB CC(=O)Nc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)cc1 930504 VZAXKRORNWEJQA-UHFFFAOYSA-N 506.588 2.480 0 40 KEAB Nc1c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc2n1-c1ccc(S(N)(=O)=O)cc1 3313557 JRRLYSBGSGYLLJ-UHFFFAOYSA-N 516.539 2.462 0 40 KEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 59838381 RQVHYTUOILBDEE-VWLOTQADSA-N 561.657 2.053 0 40 KEAB COC(=O)c1ccccc1S(=O)(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 97981287 ZQPWEXCFOMPQMZ-UHFFFAOYSA-N 538.522 2.236 0 40 KEAB O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCCN1CCN(CCCN2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)CC1 102682033 QJTUCZXIWMBYSY-MYGLTJDJSA-N 537.488 2.420 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 224767569 VUZOTYJYUSLDMJ-UHFFFAOYSA-N 503.628 2.117 0 40 KEAB C[C@H](C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408703486 GDYLZGOPDDYKPA-SJLPKXTDSA-N 503.577 2.160 0 40 KEAB CCOC(=O)c1c(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C(OC(C)=O)OC(C)=O)O2)sc2c1CCCC2 409307075 QWDLUKUOMDHNGO-XLHDGESOSA-N 503.529 2.069 0 40 KEAB CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCN(C)C1=O 643565839 PFDXPIVKUTZZST-BJKOFHAPSA-N 522.646 2.306 0 40 KEAB COc1ccccc1N1CCN(C(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)CC1 22250273 GYJQUHJOIJBHBK-UHFFFAOYSA-N 510.012 2.097 0 40 KEAB CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 38139992 LPAWUNOBPQSNHN-GSDHBNRESA-N 556.619 2.427 0 40 KEAB biogenic O=C(Nc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 97961495 NWZDMJWVEPZBLK-UHFFFAOYSA-N 614.702 2.233 0 40 KEAB COc1ccccc1N1C[C@H](C(=O)Nc2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)s2)CC1=O 97990161 MXNNHBIVVUIIIV-CQSZACIVSA-N 526.600 2.368 0 40 KEAB CS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)n1 98046980 JVZGIRRJGLQDFW-ZDUSSCGKSA-N 522.830 2.126 0 40 KEAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)C2)cc1 100840733 WAEXHBVQMOOIOM-KRWDZBQOSA-N 574.641 2.495 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 409167294 IEIZMHVUXYUYDU-STEKTNRRSA-N 607.685 2.053 0 40 KEAB CC(=O)N1CCC(N2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1 514287387 RHKRAERAZRDIPR-DXLYGPJMSA-N 611.784 2.191 0 40 KEAB CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)Nc3ccc(Br)cc32)C(C(=O)OCC)=C(N)O1 1303331 WPPDSEZBKJAINY-QFIPXVFZSA-N 523.336 2.173 0 40 KEAB O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc2c1nnn2Cc1cccc(F)c1 6173213 MZZNCOLNIVDADN-UHFFFAOYSA-N 526.550 2.042 0 40 KEAB COc1ccc(CCN2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc(Br)c(C)c4)CC3)C2=O)cc1OC 102922302 HLTLKCWMUWGTTI-OAQYLSRUSA-N 580.501 2.451 0 40 KEAB COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)c2ccccc2O1 222568616 BULQIBSBGBUALU-IIBYNOLFSA-N 504.561 2.072 0 40 KEAB COc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1 224447712 FZLQIPRTJCMKES-UHFFFAOYSA-N 603.719 2.415 0 40 KEAB CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](CO)NC(=O)c3ccc(OC)cc3)n2C)c1 408594840 CKQOGUQPHPBUQV-LJQANCHMSA-N 513.576 2.195 0 40 KEAB CC1(C)NC(=O)C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O 643568333 YXCBWNTUVXWGPS-RSXGOPAZSA-N 577.726 2.182 0 40 KEAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(C)cc2)CC(=O)N[C@@H](CC(C)C)C1=O 643578891 IWGINCNTWVBPFW-DQEYMECFSA-N 552.672 2.451 0 40 KEAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2cccc(OC)c2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643579053 OFAQZHJLGDQIJR-NSOVKSMOSA-N 602.688 2.347 0 40 KEAB O=C(CN1CCCCCCOc2ccccc2N(CC(=O)NCCN2CCCC2=O)c2cncc(c2)C1=O)NCCN1CCCC1=O 643584818 KOVYAHVXAGRILG-UHFFFAOYSA-N 647.777 2.092 0 40 KEAB CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)nc1C 9404809 HJOIPRAGQPYTMN-UHFFFAOYSA-N 510.594 2.343 0 40 KEAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)COC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)c1 13165248 RSLCDYJFYCMPHT-NDEPHWFRSA-N 518.570 2.385 0 40 KEAB CCC(=O)OC[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H](OC(=O)CC)[C@@H](COC(=O)CC)OC(=O)CC 17001100 JSVBFXLBJJPXRV-TVKIDPOGSA-N 518.556 2.180 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc2ccccc12 20239297 JWHOXLWMTCXXCW-UHFFFAOYSA-N 503.602 2.265 0 40 KEAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 25767318 XSUYXWWCMSMJDV-UHFFFAOYSA-N 519.595 2.308 0 40 KEAB COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)ccc1-n1cnnn1 100337459 KMFNRTYGVYFDHW-HRFSGMKKSA-N 571.598 2.387 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 103040440 FALPEAJHQQTIJW-UHFFFAOYSA-N 529.612 2.138 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)c(N)n(Cc2ccccc2)c1=O 103133005 JJOLRMAIMDIXSV-UHFFFAOYSA-N 557.559 2.432 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 224485393 HWXJWNAWTCRAPE-XMMPIXPASA-N 553.703 2.064 0 40 KEAB CC/C(C)=C/CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@H]12 256073357 QOVKKEKBURQILF-DCTOCLCFSA-N 785.025 2.147 0 40 KEAB CO[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2OC 256507549 MGJMLMORVVDLIU-HLDUCUAOSA-N 572.651 2.390 0 40 KEAB biogenic CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC 409114748 QASXFXNTDQZTAC-ZHHPLPSFSA-N 516.623 2.459 0 40 KEAB CC(C)c1ccccc1NC(=O)COC(=O)C[C@@H]1Nc2c(c(=O)n(C)c(=O)n2Cc2ccccc2)C1=O 3317516 AHJNYDOARNFWPK-FQEVSTJZSA-N 504.543 2.268 0 40 KEAB O=C(C[C@H](C(=O)N1CCN(c2ccccc2)CC1)n1ccnc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 14067075 SJWNIRHHJXRQDQ-HHHXNRCGSA-N 528.657 2.442 0 40 KEAB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@@H]3[C@H]3C(=O)N(CC(=O)O)C(=O)[C@H]23)ccc1O 40205443 HUJWUIISPQBVIH-XSJPLQGUSA-N 502.570 2.099 0 40 KEAB COc1cc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)cc(OC)c1OC 71328396 ZUDQZCOLKWPXNK-UHFFFAOYSA-N 509.475 2.456 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)COc3ccc(F)cc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 102805068 FHAFYTMDIMBRQD-DJOAIXOZSA-N 592.525 2.255 0 40 KEAB COc1ccc(OC)c(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 260761260 SYJFWIGUETWWOY-LJQANCHMSA-N 505.637 2.454 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 260764509 UJEDDLGREYKFQV-GOSISDBHSA-N 521.636 2.420 0 40 KEAB COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)cc1OC 408663652 AYDFABLAAYZSJK-AWEZNQCLSA-N 520.336 2.142 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 409150601 CMIIAAIRUXVPCP-CCLVUABDSA-N 651.738 2.452 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 585279097 CNSNVEYPZFGRIA-HKBQPEDESA-N 582.698 2.195 0 40 KEAB COc1cc(CCC(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)on1 585287111 SXVVOMDQYRDAJC-SANMLTNESA-N 535.041 2.418 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 642883057 VOWJAFYNABYJKY-JXGOOVFMSA-N 785.025 2.149 0 40 KEAB Cc1ccc(-n2nc(C(=O)N3CCC4(CCCCOC[C@H](C)NC(=O)[C@H](C)NC4=O)CC3)nc2C)cc1 643564161 QFPNHDXZMJKGJZ-PMACEKPBSA-N 510.639 2.316 0 40 KEAB CCOCCN(CCOCC)CC(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)c2ccccc2F)C[C@H]1CC(C)C 643586724 XVSCNIUZIWLUBF-BNXUFIDZSA-N 641.822 2.433 0 40 KEAB COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 6905009 DRAFTXMJGOWHNR-OAQYLSRUSA-N 543.602 2.001 0 40 KEAB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 12527381 XPFOVQJQZDJWRL-VWLOTQADSA-N 513.620 2.333 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 20032674 PBJQYFUAKUFLQA-UHFFFAOYSA-N 509.650 2.197 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1 38140270 HVFLRHOYNSOOHZ-AREMUKBSSA-N 551.648 2.293 0 40 KEAB COc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)ccc1O 100336316 QSKMWBYMXLCUEV-ONOMSOESSA-N 613.635 2.200 0 40 KEAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 103138968 KTKRVXWNXBHGOZ-UHFFFAOYSA-N 534.594 2.142 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)cc1Cl 408616599 AJJPFQZKIUFLIY-CQSZACIVSA-N 502.014 2.426 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2cc(Cl)ccc2OC)cc1OC 409026124 GZHGDBIGYFBFJW-UHFFFAOYSA-N 526.011 2.285 0 40 KEAB CCOC(=O)COc1c(Cl)cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1OC 409090525 QZMHPIPGIJBUIQ-UHFFFAOYSA-N 599.087 2.415 0 40 KEAB CC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCCn1ccnc1)[C@@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 1547212374 AAJHCIGYCZMNGR-FVXYUFHJSA-N 500.603 2.374 0 40 KEAB CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1 6090061 IBADSAMBCJXYFP-KNQAVFIVSA-N 538.630 2.297 0 40 KEAB CC(=O)O[C@H](C(=O)Nc1ccc(F)cc1)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(F)cc1 8429878 HYVFXXNGZULTPQ-KIHHCIJBSA-N 564.494 2.269 0 40 KEAB O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 12902617 DNXROYIOXZBVON-UHFFFAOYSA-N 506.378 2.249 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)NCCNC(=O)c2ccccc2)C(C)C)c1 25049137 MFICVTAIQOTWLR-QFIPXVFZSA-N 502.637 2.018 0 40 KEAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 59837552 QXJJJDXRUWULFJ-UHFFFAOYSA-N 617.746 2.275 0 40 KEAB CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@@H]1[C@]2(C)CC[C@H]2C(C)(C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]12C 85914827 RWXIFXNRCLMQCD-VNQCNECCSA-N 785.025 2.149 0 40 KEAB biogenic Cn1c(=O)c2c(nc(SCCn3c(S(=O)(=O)Cc4ccccc4)nc4ccccc43)n2C)n(C)c1=O 98007837 CCVCRWAMLLLNCI-UHFFFAOYSA-N 524.628 2.087 0 40 KEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccc(F)cc4)c3n2)C1 100447294 FPSYHTWRYXWXHS-INIZCTEOSA-N 526.550 2.469 0 40 KEAB CC(=O)N[C@@H]1[C@@H](Oc2cc3sc(=O)oc3c3ccccc23)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 103600398 AQBUEVUUOYUTIV-AWFHSJCMSA-N 547.538 2.043 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1nc(-c2ccc(C)cc2)no1 223724760 FUDNFRGZWGYZLR-UHFFFAOYSA-N 500.577 2.324 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2ccc(F)cc2)cc1OC 224215755 PTAZGDYCYUPULS-UHFFFAOYSA-N 595.671 2.484 0 40 KEAB NC(=O)C1CCN(C(=O)CN2[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N[C@@H]3CCCC[C@H]32)CC1 250748705 NAZFUABUFZOVAW-VAMGGRTRSA-N 524.449 2.158 0 40 KEAB Cn1c(CCC(=O)N2CCC3(CC2)C[C@H](n2cnc4c(N)nc(N)nc42)[C@@](C)(O)CO3)nc2cc(Cl)ccc21 257323698 WLNHREUSLKCTDE-BVZFJXPGSA-N 554.055 2.237 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C(F)F)cc4C4CC4)[C@H]3SC2)s1 2732724 TYXCDQDQPWHCQL-KBXCAEBGSA-N 542.615 2.389 0 40 KEAB Cc1ccc(Cn2nnc3c(=O)[nH]c([C@@H]4CCCN(S(=O)(=O)c5ccc6c(c5)OCCO6)C4)nc32)cc1 6161863 WVWNNAPMRMTWFD-GOSISDBHSA-N 522.587 2.211 0 40 KEAB CCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCCCO5)C3=O)ccc21 12991441 NRFQLALZDUBMSE-VWLOTQADSA-N 513.572 2.210 0 40 KEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 32738692 TZHGYNDGGWTMJJ-SFHVURJKSA-N 502.589 2.464 0 40 KEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)no1 33563660 LDCDEBMLNQTXRK-UHFFFAOYSA-N 506.562 2.057 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 59852744 RWGPMUXCAIIGBA-UHFFFAOYSA-N 532.600 2.164 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@@H](NC(=O)CCCOc2ccc(Cl)cc2C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 97983231 LBSRZJUTWXANAX-GWVYKECKSA-N 557.980 2.007 0 40 KEAB Cc1ccc(Cn2nnc3c(O)nc(C4CCN(S(=O)(=O)c5ccc(S(=O)(=O)N(C)C)cc5)CC4)nc32)cc1 100445941 QPRKYYDTAHKQCL-UHFFFAOYSA-N 571.685 2.102 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)c(N)n(Cc2ccccc2)c1=O 103049668 FRIZKQCAQFUDMN-UHFFFAOYSA-N 556.575 2.280 0 40 KEAB CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 223187386 WEHZQMGZASNWJT-QHCPKHFHSA-N 507.628 2.200 0 40 KEAB CC(=O)N1CCC(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@H](C(C)C)NC(=O)C2)CC1 643555884 AKAWUQFEHGBUOZ-JOCHJYFZSA-N 521.058 2.470 0 40 KEAB COc1cc(C)ccc1OCCNC(=O)[C@@H]1CCC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1 643579741 CPSWQZOGEYSZLT-ZEQRLZLVSA-N 582.698 2.459 0 40 KEAB COc1cc(CN2C(=O)N[C@](NC(=O)c3ccc(OC)c(OC)c3OC)(C(F)(F)F)C2=O)cc(OC)c1 1839326 OGQPQKLZMDEXOJ-QFIPXVFZSA-N 527.452 2.470 0 40 KEAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)c2C(N)=O)C1 4177812 NWFBISXWESOSOC-HUUCEWRRSA-N 550.659 2.412 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccccc1OC 13133352 PBURDTQAZNNQHP-BXDIUNCMSA-N 508.552 2.270 0 40 KEAB O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2 13817373 IMOFIOKIGSXYRE-BMEWAZJXSA-N 515.497 2.470 0 40 KEAB COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 100629910 KZLMPSIYXALDMI-RLWLMLJZSA-N 567.620 2.498 0 40 KEAB C[C@H](C(=O)NCc1cccnc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222702847 BSJKECQRYNQXOP-JOCHJYFZSA-N 552.653 2.215 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@@H]54)[C@@H]23)ccc1O 248131041 KIZHCISLNFIAEA-CRQUCZAMSA-N 516.597 2.489 0 40 KEAB COc1ccc(C)cc1N([C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 260888153 IHHSWNVKQLRVGC-LJQANCHMSA-N 539.676 2.138 0 40 KEAB CCOC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC 409128021 DHUWSQCYJHMHDP-RQZCQDPDSA-N 543.392 2.295 0 40 KEAB O=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)NCCN1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643561578 SRFIPYAUFRRNLL-UHFFFAOYSA-N 614.765 2.246 0 40 KEAB CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC 643566288 WHVYFYHZIVYLDE-NEKDWFFYSA-N 582.698 2.323 0 40 KEAB O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)N1CCN(CCc2ccccc2)CC1 1889211609 YONQEZQWXNIZRD-UHFFFAOYSA-N 539.680 2.440 0 40 KEAB COc1ccccc1N1CCN(C(=O)CN2CCC[C@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)CC1 2037879666 KKJQOSMYDSUMLM-JGCGQSQUSA-N 575.710 2.311 0 40 KEAB O=C(COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)N[C@@H]1CCS(=O)(=O)C1 2639260 AYUGYWUCQMDRJP-FHVRUZERSA-N 523.567 2.170 0 40 KEAB O=S(=O)(c1ccc(OC[C@@H](O)CN2CCCC2)cc1)c1ccc(OC[C@H](O)CN2CCCC2)cc1 8837578 YQZZOJQXOBJQSE-SZPZYZBQSA-N 504.649 2.190 0 40 KEAB CC(C)[C@@H]1C(O)=Nc2ccccc2N1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O 9171295 WHWBYXWGMLZPCA-CNNODRBYSA-N 509.563 2.275 0 40 KEAB biogenic C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc3ncccn3)cc1)C2=O 12520837 PMAAAUKCNXZIJF-NPMXOYFQSA-N 500.581 2.353 0 40 KEAB CCOC(=O)C1CCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 13134405 PGVIGGLXVHWIET-JOCHJYFZSA-N 514.600 2.375 0 40 KEAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 13141792 TXNONSGNBHFNET-CVDCTZTESA-N 503.602 2.447 0 40 KEAB COCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 15940527 XGLLQSDHRLXMHV-UHFFFAOYSA-N 508.988 2.250 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(Br)ccc1O 23079623 YDDSACXJOPEBIK-UHFFFAOYSA-N 513.366 2.280 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1 59838547 JZQCGGQYRPJVFW-QGZVFWFLSA-N 544.493 2.417 0 40 KEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2 64965710 AXEYLBTZWJLRFM-UHFFFAOYSA-N 506.378 2.336 0 40 KEAB CC(=O)OC[C@H]1O[C@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 162840475 UGQPZVSWEMKXBN-YVMRMMKNSA-N 657.625 2.078 0 40 KEAB in-vitro CCc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 224371496 FSKNHLDKIIUCIH-UHFFFAOYSA-N 523.677 2.385 0 40 KEAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C(=O)NCc2ccccn2)c2ccccc2)cc1 260722615 QSYDYNZJXCUZFG-VWLOTQADSA-N 510.616 2.368 0 40 KEAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O 260886148 FWEHPQSVRPQROP-GOSISDBHSA-N 560.094 2.019 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1Cl 408582518 CVRKVOKCAFMUEC-UHFFFAOYSA-N 502.014 2.426 0 40 KEAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)c1 408651729 DRBCZYIVMQHNGV-CQSZACIVSA-N 520.336 2.142 0 40 KEAB COC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 1425531 MXARYIVAOZEGET-UHFFFAOYSA-N 511.535 2.139 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 2665706 OMMKRPTUPJAHJA-DKOMQPSQSA-N 536.562 2.267 0 40 KEAB Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 20638749 NSUHZOSRVWATPF-JOCHJYFZSA-N 517.552 2.492 0 40 KEAB NS(=O)(=O)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1 59838238 GEWTWAKFBRQEKG-OAQYLSRUSA-N 552.472 2.303 0 40 KEAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)s2)c1 223100122 OFOLUJWALFJLGL-UHFFFAOYSA-N 550.688 2.144 0 40 KEAB CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 224333906 WOCUAFFRIVRVOR-OAQYLSRUSA-N 527.640 2.350 0 40 KEAB COC(=O)COc1c(Br)cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1OC 409074991 WFRBGQGAAPFRJM-UHFFFAOYSA-N 629.511 2.134 0 40 KEAB COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCOc3ccccc3C(=O)N2)c1 643566773 VSWIRLIFAFXLJP-SVBPBHIXSA-N 572.662 2.169 0 40 KEAB CCOC(=O)c1sc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)nc1C 6195097 IOEVKNHFTHTPEJ-UHFFFAOYSA-N 528.616 2.154 0 40 KEAB COc1cc(C(=O)NCc2ccccc2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 8431875 LBINJDLQVHABOX-HSGWZQNQSA-N 587.578 2.087 0 40 KEAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 12588340 RCWYOFSTRHUYPH-HUUCEWRRSA-N 503.415 2.416 0 40 KEAB CCN(C(=O)COC(=O)c1c(C)nn(-c2ccccc2)c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32666614 RDYCADAEGCBGRE-UHFFFAOYSA-N 516.558 2.180 0 40 KEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(Br)cc1 103081157 IXILQQJGCUNUGL-AWEZNQCLSA-N 526.409 2.308 0 40 KEAB O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C(=O)N1C[C@@H]1CCCO1 230058081 CDWHTEMYCKNZLL-JFPHOSBPSA-N 526.387 2.297 0 40 KEAB CC1(C)[C@H](O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)CC[C@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(C(=O)O)CC[C@@]3(C)CC[C@]21C 253618024 LPLVUJXQOOQHMX-DVGZPOEKSA-N 822.942 2.246 0 40 KEAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)cc1 408663598 YTHWFTHLLWUTPV-ZDUSSCGKSA-N 508.314 2.455 0 40 KEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCC(=O)O)cc2Br)C1=O 409238652 FEGBTQSQGOPZLE-VIZOYTHASA-N 534.319 2.461 0 40 KEAB CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 605851695 MDPXIRWVLJUABC-PZGJTTJDSA-N 652.866 2.261 0 40 KEAB CCn1c(SCC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)COC)C[C@@H]2CC(C)C)nc2ccccc21 643913184 JNXPYFNOGUEODD-YDERHJMWSA-N 608.802 2.414 0 40 KEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(=O)[nH]c1=O 15925001 GSFJFZZADIYSLJ-KRWDZBQOSA-N 513.595 2.122 0 40 KEAB CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 15940810 LBPHNJIRKHYFBA-QZTJIDSGSA-N 535.667 2.020 0 40 KEAB CCOc1ccc(CCNC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3nccnc32)cc1OCC 64775341 ZKLFMBSZDIQXAG-UHFFFAOYSA-N 503.559 2.158 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cccc(I)c1 103112401 PSLSSFBHAKJYPT-UHFFFAOYSA-N 544.367 2.416 0 40 KEAB CC(=O)NCC(=O)O[Sn](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1 195996422 PVWQINXDSXKXBH-UHFFFAOYSA-M 508.206 2.258 0 40 KEAB COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)c2ccccc2O1 260731191 DHUPCVOTUCUNPF-KSFYIVLOSA-N 504.561 2.072 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 635007 WSJAIEZQEMUPBE-IZBTWGKQSA-N 538.578 2.359 0 40 KEAB CC(=O)Nc1cc(Cl)ccc1S[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4353124 CNMWZCBZVJVEMC-SSXICUSMSA-N 531.967 2.474 0 40 KEAB Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2CCCC[C@@H]2NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 12579931 OHHWYZHFMARIJM-PMACEKPBSA-N 508.622 2.291 0 40 KEAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1C 12856524 XZXMWXJAGPBWCK-QGZVFWFLSA-N 521.592 2.322 0 40 KEAB O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2 13817380 IMOFIOKIGSXYRE-GXCDUKDASA-N 515.497 2.470 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](C)n4nc(C(F)(F)F)cc4C)[C@@H]3SC2)s1 17356847 PQWDWFMGUGKHFZ-CVKUXFQVSA-N 548.594 2.462 0 40 KEAB CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@H]1C(=O)O 70701171 FNLDIMYFBKJNTD-HJOGWXRNSA-N 545.596 2.171 0 40 KEAB biogenic CC1=C[C@H]2O[C@@H]3C[C@@H]4OC(=O)/C=C\C=C/[C@H]([C@@H](C)O)OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1 100794144 NSFWWJIQIKBZMJ-JMUUPMFVSA-N 532.630 2.393 0 40 KEAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1OCC 103103368 CHRSZGOYMQROOT-UHFFFAOYSA-N 535.619 2.426 0 40 KEAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 103122939 NKFRLSMUNIMRSI-LLVKDONJSA-N 521.901 2.112 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C(=O)O)[C@H](C)O 217494868 GHOKLCHUJDMSOZ-NSCTVRKGSA-N 532.597 2.119 0 40 KEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1N1C(=O)CCC1=O 225025685 SNBNUJUCBGMCAT-UHFFFAOYSA-N 507.590 2.324 0 40 KEAB O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4ccccc41)CC[C@@H]3O)N(Cc1ccc(F)c(F)c1)C2 514287582 NXQODPMTJNMRPB-IOIRJSPFSA-N 515.557 2.145 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]5O[C@@H]5O[C@@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]12C 584567136 VOWJAFYNABYJKY-RLGTXCRJSA-N 785.025 2.149 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCCC2(CCN(CCC(C)(C)C)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 1548890601 UESURDVBQPMMJG-PKTZIBPZSA-N 559.733 2.381 0 40 KEAB O=C(CN1CCC[C@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)NCCc1ccccc1 2037879419 VSKRPNWBWFSWDS-GDLZYMKVSA-N 504.631 2.312 0 40 KEAB Cc1c(N(C)S(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2Cl)c(=O)n(-c2ccccc2)n1C 3238896 KYFHLFNBEMZIAF-UHFFFAOYSA-N 504.996 2.435 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)cc1OC 38145724 OEROOPQPFFWHCS-QVKFZJNVSA-N 543.602 2.426 0 40 KEAB O=C1NC(=O)[C@@](Cc2ccc(O)cc2)(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N1Cc1ccccc1 70672240 JPFCFKZUOCRZKN-DUELTEGESA-N 526.593 2.481 0 40 KEAB biogenic CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)C2=O)cc1 102894762 OIEYVHCXQXQDPV-RUZDIDTESA-N 534.585 2.217 0 40 KEAB O=C(Nc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 102929421 RPEJUWPBUYLJTG-UHFFFAOYSA-N 614.702 2.233 0 40 KEAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224661636 LCUIDTBBASXKGK-QGZVFWFLSA-N 507.584 2.305 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2ccc(Cl)cc2)cc1OC 408619187 MWKFAMFAQPABEF-UHFFFAOYSA-N 512.028 2.391 0 40 KEAB COc1cc([C@@H](CC(=O)NCCn2ccc3c(cnc4ccnn43)c2=O)c2oc(C)cc(=O)c2O)ccc1O 524729130 FFOKWWSWHCKDAN-QGZVFWFLSA-N 531.525 2.064 0 40 KEAB biogenic O=C1CN(Cc2ccccc2)Cc2cc(CCC(=O)N3CCN(CCO)CC3)ccc2OCCCCCN1 643575748 NSXOVFGIIPZHAB-UHFFFAOYSA-N 522.690 2.437 0 40 KEAB Cn1c(=O)c2c(nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2CC(=O)c2ccc(Br)cc2)n(C)c1=O 1087837 XNCRJDJXKFXHNE-UHFFFAOYSA-N 595.454 2.130 0 40 KEAB NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1N 12474105 VWDJQIVHZARORL-YLJYHZDGSA-N 513.551 2.352 0 40 KEAB Cc1cccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 13636509 IOCBYBLGXLQTLJ-JOCHJYFZSA-N 517.552 2.492 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(C)ccc4n3CC(=O)OC)cc2)CC1 100876078 LVNRNYHBLXBZLD-LCUIJRPUSA-N 560.654 2.388 0 40 KEAB COc1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 102987645 OJFIUMWPXQVFPW-NRFANRHFSA-N 552.049 2.312 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 224223901 BRTDGLYWWDTVNL-UHFFFAOYSA-N 516.041 2.184 0 40 KEAB CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(=O)N1CCOCC1 224318618 BCEUNPRWVGQODE-UHFFFAOYSA-N 569.727 2.023 0 40 KEAB CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCCC(=O)[C@H](C)O)NC(=O)[C@H]2CCCCN2C1=O 1775964279 ZXVFNKFMGQIBFI-YZUYXXDVSA-N 570.731 2.025 0 40 KEAB biogenic,in-vitro CC1(C)CC(N2CN3C(=O)N4CN(C5CC(C)(C)NC(C)(C)C5)CN5C(=O)N(C2)C3C45)CC(C)(C)N1 820476 KZURVTKPVNKEKH-UHFFFAOYSA-N 502.708 2.193 0 40 KEAB CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=C(C(N)=O)[C@H]1c1ccc(Cl)cc1 989134 BGXVQPAACRZHSG-NIFLVVHWSA-N 516.406 2.169 0 40 KEAB COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1C(=O)NC1CCCCC1 4277847 HRCPCMOWOIXUQY-IZZNHLLZSA-N 586.711 2.313 0 40 KEAB biogenic,in-vitro O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1 20676573 CEEYVPPHSZNQRY-NRFANRHFSA-N 504.418 2.471 0 40 KEAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)c(OC)c1 138800332 SFIYLLPGYLEDRN-CQSZACIVSA-N 520.336 2.142 0 40 KEAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)ccc21 225731603 XNAQFJFPNDBBNA-UHFFFAOYSA-N 527.646 2.303 0 40 KEAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OCC(=O)N1CCOCC1 409271549 JXTKIUZLKXBVFE-STZFKDTASA-N 517.604 2.228 0 40 KEAB O=C(CCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O)NCc1ccc2c(c1)OCO2 9616371 YGOCXCHCSHPVMW-UHFFFAOYSA-N 506.559 2.047 0 40 KEAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 12608632 JXXFGMVNGIGLOD-UHFFFAOYSA-N 512.554 2.487 0 40 KEAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1OCC(F)(F)F)CS2 12896850 ZTJKSXJJBORMBI-HNAYVOBHSA-N 523.555 2.041 0 40 KEAB COc1c(OC)c([C@@]2(O)C(=O)N(C)c3ccccc32)c(OC)c(OC)c1[C@]1(O)C(=O)N(C)c2ccccc21 17175839 BGWFETQDZAHJTD-HNRBIFIRSA-N 520.538 2.146 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCCO4)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 70672382 OPQDOPWWBGEPER-HYKJKDMVSA-N 630.599 2.441 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1 223224676 RRCFFFJDLKLHKM-XIFFEERXSA-N 680.824 2.183 0 40 KEAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C(=O)NCc2ccccn2)c2ccccc2)cc1 223538749 QSYDYNZJXCUZFG-RUZDIDTESA-N 510.616 2.368 0 40 KEAB CC(=O)NCc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2)cc1 575420793 FCJUAVTUWJPHFH-RRPNLBNLSA-N 541.695 2.469 0 40 KEAB CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)c2c(F)cccc2F)CCCCOC[C@@H](O)[C@H]1O 643586331 DZUMYXGUMZAMBH-QMBPOEKNSA-N 500.583 2.217 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)Nc3cc(C)nn3-c3ccccn3)CC2)cc1 9348039 DRTZJQBMKIFFQI-IBGZPJMESA-N 510.620 2.428 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@H](C)C(=O)O)C(=O)[C@@H]23)cc(OC)c1O 101174973 UQLSDJKSMCWMSD-ZNHOJNNPSA-N 532.596 2.106 0 40 KEAB C[C@@H](c1ccccc1)n1c(SC[C@H](O)CO)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514379116 MCUBMTARZYPKME-FXAWDEMLSA-N 504.634 2.021 0 40 KEAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC1=O 643567730 SWNARSAASBWPPN-ZEQRLZLVSA-N 540.636 2.493 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCCC2(CCN(Cc4ccc(F)c(F)c4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 1548891120 XKTHEVGBDLPYSS-RDGATRHJSA-N 601.676 2.423 0 40 KEAB CC(C)C[C@@H]1NC(=O)C2(CC=CC[C@@H]3COCC[C@@H]3NC1=O)CCN(C(=O)CCc1cnn(C)c1)CC2 1615124986 YUANZZDJNPJFOZ-SGNDLWITSA-N 513.683 2.364 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 6601628 MLWTVDWKZGEXRT-OAQYLSRUSA-N 543.577 2.429 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)O)CC2)cc1 8918203 GSNXJTQRZMLWRG-ZEQRLZLVSA-N 527.643 2.199 0 40 KEAB biogenic Cc1ccc(C(=O)N2CCN(C(=O)[C@H](NC(=O)c3ccco3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 12374405 PFZHOMINBAWRTM-XMMPIXPASA-N 509.584 2.411 0 40 KEAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCc1ccc(S(N)(=O)=O)cc1 20032770 GTQFTVFFTPWQKS-UHFFFAOYSA-N 515.613 2.089 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 66139700 UARWBVYNWCAEJT-UHFFFAOYSA-N 551.687 2.454 0 40 KEAB CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 85911544 KRVIIMWSCXORIQ-ZGIBFIJWSA-N 786.839 2.407 0 40 KEAB biogenic Cc1ccc(S(=O)(=O)N2CCN(C(=S)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1C 97945912 NMJDHZJFBZPBGD-UHFFFAOYSA-N 538.717 2.028 0 40 KEAB COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)c2sc(=O)[nH]c2S[C@H]31 100971575 PYRQISFDANFGQF-CIYYCHBZSA-N 516.597 2.100 0 40 KEAB COc1ccc(NC(=O)COC(=O)CN2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(OC)cc4)cc3C2=O)cc1 101089783 IQANBMPALZELTJ-UHFFFAOYSA-N 575.530 2.277 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H](OC(C)=O)CN2S(=O)(=O)c2ccc(OC)cc2)cc1 102874967 BPEUKGVCGZNXKF-REWPJTCUSA-N 553.659 2.059 0 40 KEAB CC(C)(CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 102939419 GRPGSMNIHYIPSM-UHFFFAOYSA-N 576.741 2.442 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224469206 VNKQNSGGZSGUOY-QFIPXVFZSA-N 560.094 2.101 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccc(C)cc3)CC2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 585285928 FFSVUGAHGCMICV-NDEPHWFRSA-N 533.616 2.205 0 40 KEAB COc1cccc(NC(=O)N[C@H]2CCN(C(=O)CC(C)(C)C)[C@@H]2C(=O)N[C@H](Cc2ccccc2)C(N)=O)c1 1772595131 VZWAWRZPFKKJOD-ZDXQCDESSA-N 523.634 2.435 0 40 KEAB COCCN(C(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12916812 QOFARPPFAZBDNX-UHFFFAOYSA-N 519.558 2.102 0 40 KEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 13137591 FHZRHPFJUNFZOX-UHFFFAOYSA-N 505.574 2.031 0 40 KEAB CC(=O)Oc1cccc(N2C(=O)[C@H]3C4C=CC([C@H]3C2=O)[C@H]2C(=O)N(c3cccc(OC(C)=O)c3)C(=O)[C@H]42)c1 13562123 VEKHGKTVBZNYIP-BCSMNWKXSA-N 514.490 2.264 0 40 KEAB CC(C)C[C@@H]1OC(=O)[C@H]2CCCN2C(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)N(C)C1=O 67910486 RPJBXUNEXVNBIF-AWYWNVKQSA-N 655.837 2.149 0 40 KEAB biogenic,in-vitro COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)c(N)n(Cc2ccccc2)c1=O 103111564 DVYLJESECWKGKT-UHFFFAOYSA-N 569.570 2.393 0 40 KEAB CCCn1c(SCC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)COC)C[C@@H]2CC(C)C)nnc1-c1ccncc1 643913315 QMMIZKYZFVGAQM-YIPGRGJBSA-N 650.843 2.108 0 40 KEAB COC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC(=O)OC)C(=O)CF 1350726961 DMOPIQAORMUTFR-HWFRFQLBSA-N 914.897 2.285 0 40 KEAB Cn1c(CNC(=O)CN2CCC[C@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)nc2ccccc21 2037879850 UHGNOBUIKRNNNA-SSEXGKCCSA-N 544.656 2.157 0 40 KEAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)c1 103099451 CRNHFEAJMTZVQV-UHFFFAOYSA-N 544.822 2.340 0 40 KEAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 223446040 OACQIGGUEHEITN-HXUWFJFHSA-N 505.593 2.133 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(C)cc2)cc1OC 224444385 DJBQRWKPDPFDSD-UHFFFAOYSA-N 633.745 2.424 0 40 KEAB COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](C(=O)NCCO)c2ccccc2)cc1 260717078 HZUNLXUOFFFVCR-MHZLTWQESA-N 539.654 2.335 0 40 KEAB COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC 643568700 DKXUZRRARUALMJ-FIPFOOKPSA-N 582.698 2.323 0 40 KEAB O=C(CN1CCc2ccccc2C1)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1 643578441 BYOKLUUIEIYIHS-URLMMPGGSA-N 564.727 2.390 0 40 KEAB CCCN1CCC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548889866 LJFCWLGXEYDONF-YADHBBJMSA-N 514.648 2.016 0 40 KEAB O=C(C[C@H]1CS(=O)(=O)C[C@@H]1CC(=O)Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2 1003610 BBXAJBDNBDEGRS-HOTGVXAUSA-N 502.545 2.247 0 40 KEAB CCOC(=O)[C@H](Cc1ccc(OC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 4016485 GAGZBZLMVJQLLZ-YKSBVNFPSA-N 628.679 2.138 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 12563478 NIPKICCDOIUSJZ-JLHYYAGUSA-N 507.634 2.390 0 40 KEAB C[C@@H](O)CN1CCC(CN(CC(=O)NCc2ccc(F)cc2)CC(=O)NCc2ccc(F)cc2)CC1 69878375 ONRZVSBWPYSUGD-HXUWFJFHSA-N 502.606 2.292 0 40 KEAB COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21 100872960 NDGRMDVSTWUVCQ-PBPKIEIKSA-N 566.727 2.404 0 40 KEAB NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)c(Cl)c1 103057945 CFFIPOMURHYZFC-UHFFFAOYSA-N 565.240 2.408 0 40 KEAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C)cc1 103088526 SNOQBYDCFRVVQB-UHFFFAOYSA-N 535.619 2.089 0 40 KEAB COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](C(=O)NCCO)c2ccccc2)cc1 223510455 HZUNLXUOFFFVCR-HHHXNRCGSA-N 539.654 2.335 0 40 KEAB Cc1noc(C)c1CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3ccccc3F)cc2OC[C@]2(C[C@H](O)[C@H](O)C2)C1 253399208 IOFUGPXDSQMIGQ-ZMKPBNSHSA-N 575.659 2.133 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 260933989 XLIXSFDDMDWQPA-GOSISDBHSA-N 519.620 2.379 0 40 KEAB O=C1NCCNC(=O)[C@@]2(CC=CCOc3ccccc31)CCCN(CC(=O)N1CCN(c3ccccc3F)CC1)C2 2037879599 GSJVASHOLVERFL-HKBQPEDESA-N 563.674 2.441 0 40 KEAB CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)O 13591346 USYVIFGAPMRJSN-OALUTQOASA-N 502.568 2.030 0 40 KEAB CCN(C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)[C@H]1CCS(=O)(=O)C1 17466448 FVUUVWGUYVREEU-ZRFOIIEFSA-N 532.640 2.030 0 40 KEAB CCOC(=O)/C=c1\s/c(=C/c2ccc3c(c2)c2ccccc2n3CC)c(=O)n1CC(=O)N1CCOCC1 22130793 HGYSKDXVBHOJOA-JPZQLYJDSA-N 519.623 2.069 0 40 KEAB CCN(C(=O)COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 97982490 NVWHWINSKGGORP-UHFFFAOYSA-N 544.490 2.132 0 40 KEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(C(=O)OC)ccc4n3CCOC)cc2)CC1 100872435 CKGGKQYHWHMGJI-RFBIWTDZSA-N 590.680 2.340 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccc(OC(F)F)cc4)n3N)CC2)cc1 103054309 UPFJCIMUQOQMQF-UHFFFAOYSA-N 538.602 2.194 0 40 KEAB CO[C@]12c3c(C)cc(O)c4c(=O)occ(c34)C(=O)[C@@H]1[C@@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@@H]3OC(C)=O 104026697 WBQDAYWQELBEPU-FWTJQOPJSA-N 546.484 2.341 0 40 KEAB CC(C)[C@H]1NC(=O)C2=CN(Cc3ccccc3)C=C[C@@H]2NC(=O)[C@H](C)NC(=O)[C@@H](C(C)C)NC(=O)C2=CN(Cc3ccccc3)C=C[C@H]2NC(=O)[C@@H](C)NC1=O 150422889 GGXKAYMHZWWWNE-WEZHXDSASA-N 764.928 2.087 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 224251912 JMWNKUWGWCVFQA-UHFFFAOYSA-N 509.650 2.310 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225544746 CIHGVCFMPJALGD-KRWDZBQOSA-N 528.052 2.400 0 40 KEAB CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F 245240934 VHFJTWKDAGBIQF-KGZKIYMESA-N 503.392 2.242 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 12538645 JHIAEBIFINNFEM-UHFFFAOYSA-N 524.665 2.097 0 40 KEAB O=C(COC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)Nc1ccc2c(c1)OCCO2 13146235 LGKJCGSTJLFASH-BXKMTCNYSA-N 515.519 2.379 0 40 KEAB COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1S(=O)(=O)N1CCCC1 15980005 OSVAHLILUNVKPK-UHFFFAOYSA-N 521.617 2.314 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3ccco3)n2)cc1 38141499 DWGZMBAOCJXCPS-AREMUKBSSA-N 551.648 2.293 0 40 KEAB COc1ccc(Cn2nnnc2CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C[C@H]2CCCO2)cc1 57642758 ABFYJNWFHQCDQD-OAQYLSRUSA-N 504.547 2.481 0 40 KEAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@H]23)ccc1O 100922184 KIZHCISLNFIAEA-HCPZCFLBSA-N 516.597 2.489 0 40 KEAB CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 150372241 IKIUBDHRUIGRPD-KCHLEUMXSA-N 729.897 2.368 0 40 KEAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 226077422 SWXLMYCEKMIUCA-UHFFFAOYSA-N 505.662 2.231 0 40 KEAB COC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)cc1 930501 KJWMKACMHSVYTE-UHFFFAOYSA-N 507.572 2.308 0 40 KEAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc2Cl)C1 13148661 RQQMQFIAGMRLOV-HNNXBMFYSA-N 500.042 2.381 0 40 KEAB NS(=O)(=O)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 20031571 LOSVCPCEXILXKG-OAQYLSRUSA-N 508.021 2.193 0 40 KEAB CSc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C(=O)N1CCOCC1 26117324 YLDQWBBYKDPYSF-UHFFFAOYSA-N 502.618 2.480 0 40 KEAB CC(C)CN(C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 34016724 YMARZQAQMVYCKC-QTJGBDASSA-N 505.637 2.403 0 40 KEAB biogenic,in-vitro COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)cc1OC 38754587 ASEZCRIRCPMFHY-UHFFFAOYSA-N 520.589 2.304 0 40 KEAB COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(=O)N3)cc1OC 100148457 MIGCGNWBIKGDLI-XMMPIXPASA-N 532.475 2.245 0 40 KEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225422100 FBUUQHWIBSRIDH-UHFFFAOYSA-N 511.607 2.287 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 260710554 CVZIGXSJKUDZHF-GOSISDBHSA-N 519.620 2.174 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)C2)cc1 260897533 IYEYIYLCMCXZTN-NRFANRHFSA-N 534.704 2.279 0 40 KEAB CCCN(C[C@H]1CCCO1)C(=O)[C@@H]1CCC(=O)N[C@@H](CCC(N)=O)C(=O)NCCCCCCCCCCC(=O)N1 643584530 CRNSCZDXBCCXCB-SGNDLWITSA-N 565.756 2.060 0 40 KEAB COCc1nnc(NC(=O)CN2CC[C@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)s1 2037879177 CPFCPPXALOZYQP-VXNXHJTFSA-N 596.754 2.304 0 40 KEAB COc1cc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3ccc(Cl)c(OC)c3)CC2)ccc1Cl 6145942 QCZWBRNKNZJYDD-UHFFFAOYSA-N 538.475 2.295 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@H]1c1ccccc1 9494220 OMOYNYMNDRAHLA-VZCCSQPZSA-N 510.369 2.493 0 40 KEAB CC(=O)N[C@@H](Cc1cccn1C)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 13564859 FAAHXMYQMMBHQJ-IBGZPJMESA-N 500.543 2.061 0 40 KEAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccccc2)cc1 59837516 QYERDAOFOKPSFD-UHFFFAOYSA-N 573.693 2.223 0 40 KEAB CCOC(=O)/C=c1\s/c(=C/c2ccc(OC)cc2OC)c(=O)n1CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 97993896 WZUFIDFJMAVUPY-NVSJJUBOSA-N 502.633 2.040 0 40 KEAB CCOC(=O)c1c(NC(=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)sc2c1CCCC2 101170408 VBXTZRIJUOTCTN-YYWHXJBOSA-N 541.575 2.100 0 40 KEAB CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCc1nnc(-c2ccccc2)o1 102778294 WCJHJENLPOZDKE-QFIPXVFZSA-N 528.587 2.255 0 40 KEAB O=C(CN1CCN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 103044626 SERKJRBCXVADCI-IYBDPMFKSA-N 512.916 2.393 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 224320298 WROBKXSMFMSJJS-SFHVURJKSA-N 527.690 2.129 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@@H]23)[C@@H]14)[C@@]5(O)[C@@H]6OC 250325908 NWBWCXBPKTTZNQ-NCMWCJFRSA-N 584.710 2.222 0 40 KEAB COc1ccc(CCNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1OC 409024956 OCZPXHICKICPDM-UHFFFAOYSA-N 518.373 2.433 0 40 KEAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(I)c1OCC(=O)OC 409127126 CITQIHFBFJZRRZ-WUXMJOGZSA-N 521.285 2.363 0 40 KEAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOC[C@H]2CCCO2)CCC(=O)N[C@@H](CC(C)C)C1=O 643584813 KNKNJBPQOWEJET-AFESJLNVSA-N 588.746 2.429 0 40 KEAB CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@@H]1C(=O)O 15968695 QPHKNVHDBDNKLQ-ZRBLBEILSA-N 520.586 2.080 0 40 KEAB biogenic Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)n1 59923881 HFUNTGFVIGMULU-IBGZPJMESA-N 538.007 2.405 0 40 KEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)n1 59923884 HFUNTGFVIGMULU-LJQANCHMSA-N 538.007 2.405 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 64704936 QDRSIQDHEDWBCQ-FAUWUSJQSA-N 538.578 2.279 0 40 KEAB CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)O)C(C)C 70699670 TUYUARLXNQWHBX-SZOBAZRNSA-N 522.602 2.230 0 40 KEAB biogenic CCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2cc(S(N)(=O)=O)ccc21 103088227 MJSXWUKHEVFCAP-UHFFFAOYSA-N 567.715 2.236 0 40 KEAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222934887 BPDRFLCFNHRGDH-JOCHJYFZSA-N 577.700 2.055 0 40 KEAB CN(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1 224329202 VYOOCDNXQUAFTR-UHFFFAOYSA-N 531.656 2.440 0 40 KEAB Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCC(=O)NC2(CCCC2)C(=O)N[C@H](C(C)C)COc2ccccc2C(=O)N1 643571472 BOZAEHZFYWQDNJ-DQEYMECFSA-N 580.730 2.237 0 40 KEAB COc1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 3295322 JRRGOHCKTSHEDP-RSNBEDGSSA-N 514.600 2.466 0 40 KEAB COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)cc2)CC1=O 408650505 BCLWVSWYINEORK-ZDUSSCGKSA-N 520.336 2.142 0 40 KEAB Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)Cn3nc4ccccc4n3)CCO2)ccc1Cl 585287530 YOGGQHRYEKKMAK-HHHXNRCGSA-N 541.052 2.234 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC 6546608 WGYBLJUNFBWSQS-JOCHJYFZSA-N 550.597 2.382 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 6546626 CGDOMIXGUISGNN-JOCHJYFZSA-N 555.613 2.217 0 40 KEAB COCCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1 6904786 ZVFRLJNCWBOMOL-FQEVSTJZSA-N 519.624 2.120 0 40 KEAB Cc1ccccc1CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 8440396 OUMMFFJFTFIGQA-XMMPIXPASA-N 513.641 2.375 0 40 KEAB COCCn1nnnc1[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20083580 MMJWFYRRPBJNDB-SANMLTNESA-N 531.617 2.414 0 40 KEAB CC(C)CN(C(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23079723 XWTLXQNAHYMVTP-CFZCFRQTSA-N 524.618 2.031 0 40 KEAB CCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 67337541 RUYCYTHBGNUTBG-UHFFFAOYSA-N 524.043 2.046 0 40 KEAB COc1ccc2c(c1)N(C)/C(=c1/s/c(=C3/C(=O)N(C)C(=S)N3C)n(Cc3ccccc3)c1=O)S2 100081891 KTYDXMLKUFXCIO-RSFSRFMPSA-N 510.666 2.071 0 40 KEAB COc1ccccc1N1CCN(C(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)CC1 102435150 GXFOESXKSVUQHK-FQEVSTJZSA-N 539.658 2.317 0 40 KEAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCC1 102973812 NADYSPXNRBEYKR-UHFFFAOYSA-N 537.660 2.208 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224460723 QNCOXNWZBVEUGE-UHFFFAOYSA-N 581.713 2.090 0 40 KEAB CCOc1c(I)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1I 408587795 AGWJKOYECSOCNW-BJMVGYQFSA-N 542.067 2.272 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408833858 ZQMALTFLFICRRZ-NYIUWGNGSA-N 538.578 2.279 0 40 KEAB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Br)C(Cl)(Cl)Cl 575421027 GFZQVUHIFVQXEC-BDAKNGLRSA-N 593.530 2.142 0 40 KEAB CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCOC)c1ccc(C)o1 6631425 DIWZFRCKNOVIHO-IBGZPJMESA-N 501.565 2.275 0 40 KEAB CC(C)CN(C(=O)COC(=O)c1cncc(Br)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38151088 WUGZMWGWJOBZTM-UHFFFAOYSA-N 530.379 2.171 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2cccc3ccccc23)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 101462267 QMXHRZRGBPKKEW-LYCSZFELSA-N 532.571 2.209 0 40 KEAB C[C@@H]1NC(=O)[C@H](CO)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCNC(=O)CC2CCCCC2)NC1=O 643580411 GYJPEBYWXZJANC-FOZWXVBRSA-N 663.816 2.144 0 40 KEAB CC(C)CN1CCC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548891100 WFFDDHMMXUZYLA-PKTZIBPZSA-N 528.675 2.262 0 40 KEAB CCc1sc2nc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n(-c3cccc(OC)c3)c(=O)c2c1C 3363421 ZDFKXDMKEPYEGI-UHFFFAOYSA-N 527.628 2.281 0 40 KEAB COC(=O)CCCNC(=O)[C@@H]1[C@@H](NC(=O)Nc2cccc(SC)c2)CCN1C(=O)c1cccn1C 4201056 ZVAUWVPXOQDKHQ-RXVVDRJESA-N 501.609 2.221 0 40 KEAB biogenic,in-vitro CC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2c(C)c3c(OC(C)=O)cc(C)cc3oc2=O)cc1 9435260 KKXKIVCMFYVJPQ-UHFFFAOYSA-N 514.556 2.061 0 40 KEAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCCCN3CCOCC3)cc12 19824197 QUBLXFLOHGBVAD-UHFFFAOYSA-N 515.724 2.266 0 40 KEAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1)c1ccccc1 20032400 YMOLBZSBGKPTNT-KRWDZBQOSA-N 503.602 2.069 0 40 KEAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc1 20493554 DWQVTWINLGHHBA-UHFFFAOYSA-N 505.662 2.070 0 40 KEAB CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)c(Cl)c2)CC1 20533348 UOLSDDYJIYIRHY-UHFFFAOYSA-N 509.394 2.063 0 40 KEAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)ccc3n2CCOC)cc1 100873202 QNCGITXWNRIDKR-IZHYLOQSSA-N 537.660 2.382 0 40 KEAB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224436631 NCGLBZQAUPVSKO-UHFFFAOYSA-N 577.656 2.237 0 40 KEAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 224895087 YTQOEFNWANOCOA-OAQYLSRUSA-N 501.605 2.419 0 40 KEAB COc1ccc(CN2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CCN(C)CC3)C2)cc1CO 257219593 DHINUPDIJUOIOT-HHHXNRCGSA-N 501.599 2.141 0 40 KEAB Cc1ccccc1CN(C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C 260740843 MYBGZNSLOHFAMX-LJQANCHMSA-N 503.621 2.474 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 260893599 MCVGBCQSFQIIRP-LJQANCHMSA-N 533.647 2.422 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 409167002 GLKRVIDEWASYSB-YLKQWKBVSA-N 651.738 2.452 0 40 KEAB NC(=O)C[C@@H](c1cc2ccccc2nc1O)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 524730596 OMNSXYPBHKHVGR-KPFFTGBYSA-N 528.565 2.388 0 40 KEAB biogenic O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 604403853 AMTBCXRWKHZOPD-NKQBKRSGSA-N 523.593 2.199 0 40 KEAB biogenic Cc1c(NC(=O)CN2CCC3(CC=CC[C@@H]4COCC[C@@H]4NC(=O)[C@@H](CC(C)C)NC3=O)CC2)cnn1C 1615125193 CYBKSZCKAJWRHR-XPWALMASSA-N 528.698 2.151 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)O)CC[C@@]45C)C3(C)C)OC[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 2054340353 FYSAXYBPXKLMJO-UNLZGXIXSA-N 897.109 2.373 0 40 KEAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1 3222085 UXKZGUKGOUXJLQ-UHFFFAOYSA-N 529.596 2.271 0 40 KEAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O)NC(c1ccccc1)c1ccccc1 3255784 ZOXDWAXQRMGBLA-UHFFFAOYSA-N 510.568 2.476 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)COc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4258493 FHAFYTMDIMBRQD-IEAFHPEVSA-N 592.525 2.255 0 40 KEAB CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 6074762 VILZZARSFHEEPO-LJQANCHMSA-N 510.576 2.293 0 40 KEAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C2CCCCC2)CC1)OCO3 20080855 KNZGKSKDOAKUAP-CPJSRVTESA-N 521.622 2.462 0 40 KEAB CCOC(=O)Oc1c(OC)cc(C(=O)Nc2cc3c(cc2N(C)C)n(C)c(=O)c(=O)n3C)cc1OC 20167893 XAQWRIHRGNREQR-UHFFFAOYSA-N 500.508 2.108 0 40 KEAB CCCCN1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 67337961 KFHXBAIDAZMXOZ-UHFFFAOYSA-N 523.103 2.451 0 40 KEAB CCOc1ccccc1-n1c(O)c(C(c2ccccn2)c2c(O)n(-c3ccccc3OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O 103770549 POMSONPCLBCPNV-UHFFFAOYSA-N 585.573 2.149 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 224532182 YUMUPRQQWCNZHI-UHFFFAOYSA-N 581.713 2.471 0 40 KEAB O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 229666110 DTXUVWSXPILRPF-NAVNFMRLSA-N 504.565 2.227 0 40 KEAB COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)cc2)CC1=O 408650504 BCLWVSWYINEORK-CYBMUJFWSA-N 520.336 2.142 0 40 KEAB O=C(NC[C@H]1CCCO1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 409332467 FLEHXMBXIQRSEF-IEBWSBKVSA-N 514.385 2.476 0 40 KEAB COc1ccc(OCCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643565279 ASFKVZXFJRVGPO-NSOVKSMOSA-N 602.688 2.347 0 40 KEAB O=C1CC[C@@H](C(=O)NCCN2CCCCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)N1 643567150 SNPYFSWMQCBRBH-SVBPBHIXSA-N 577.726 2.184 0 40 KEAB CC(C)c1ccc2c(c1)OCCC1(CCN(C(=O)Nc3cccnc3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O 1548889619 JDXAFKKEJOJGAL-YADHBBJMSA-N 557.673 2.294 0 40 KEAB COc1cc(C[C@@]2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O 2095693 JSEBBAKNTGQLMM-PHKGMDLESA-N 542.592 2.494 0 40 KEAB biogenic CC(=O)N[C@@H](Cc1cc(I)c(OC(C)=O)c(I)c1)C(C)=O 17104458 WMGGVWRQONJLQR-ZDUSSCGKSA-N 515.085 2.457 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C(=O)NCC(C)C)cc1 222931782 DIMAPYVLRBVXQE-OAQYLSRUSA-N 547.674 2.284 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C(=O)NCc2cccnc2)cc1 222934519 BLZVSKCVDJNKEE-JOCHJYFZSA-N 582.679 2.224 0 40 KEAB C[C@@H]1O[C@@H](O[C@@H]2CC3=CC[C@H]4[C@@H]5C[C@@H]6O[C@]7(CC[C@@H](C)CO7)[C@@H](C)[C@@H]6[C@@]5(C)CC[C@@H]4[C@@]3(C)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)C2)[C@H](O)[C@H](O)[C@H]1O 299817748 RMIQIULKBBCLIL-AKYREZHBSA-N 722.913 2.388 0 40 KEAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409018560 XEURDVBXOWMKRC-KEBLUXQBSA-N 621.712 2.443 0 40 KEAB O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)N(Cc1ncc[nH]1)C2 514287482 FVVFIVQIHCPQRY-LVBBYBRXSA-N 537.661 2.247 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)CC2)cc1 13670503 CJEOEHLTDBZAJC-QGZVFWFLSA-N 500.042 2.336 0 40 KEAB COc1cc(C(=O)N[C@H](C)[C@@H]2COc3ccccc3O2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 85867651 ZHZATSUJZMAMLO-XNBFJONHSA-N 659.641 2.115 0 40 KEAB biogenic CC[C@H](C)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc1-2)C(=O)O 102415424 YTPYLPAKSOVREP-RZMCSOMXSA-N 566.654 2.453 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2cc(Br)c(N)c(Br)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 150413210 RAQHNWWPQJUHKT-RACLHMPKSA-N 655.318 2.163 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 224330235 IJZCYFOIDVZWLS-UHFFFAOYSA-N 521.661 2.206 0 40 KEAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 224569209 ICAGPWZZXAQEMS-NRFANRHFSA-N 521.636 2.422 0 40 KEAB COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)c2ccccc2O1 260728499 BULQIBSBGBUALU-KKSFZXQISA-N 504.561 2.072 0 40 KEAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 409367135 GUAKZWQBLKWGEG-HNNXBMFYSA-N 510.410 2.189 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccccc3F)CC2)C[C@@](O)(COc2cccc(F)c2F)C1 585285018 BNTSMHNHXUOKPH-MHZLTWQESA-N 537.579 2.036 0 40 KEAB O=C(CN1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1)N1CCN(c2ccc(F)cc2)CC1 643555165 VDBAIYCLJKCILQ-LJAQVGFWSA-N 524.637 2.467 0 40 KEAB O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)CCOc3cccc(F)c3)CC2)CN1 643565965 MQECZBLPHOALLB-XZOQPEGZSA-N 500.567 2.067 0 40 KEAB C[C@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O[C@@H]4CC[C@@]5(C)[C@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]56C)C4(C)C)OC[C@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 1903869824 VQQGPFFHGWNIGX-GTFBFGJYSA-N 897.109 2.373 0 40 KEAB O=C1[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2 13817376 IMOFIOKIGSXYRE-PKVHRPSESA-N 515.497 2.470 0 40 KEAB COc1ccccc1C(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1 19831390 KPANIRUPRYSMTI-UHFFFAOYSA-N 503.397 2.279 0 40 KEAB COCCn1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(c2ccccc2OC)CC1 20084037 HCJNSEDOAGANGN-DEOSSOPVSA-N 505.579 2.090 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC 100277292 DQYXSYPHHKMFLD-VAVYLYDRSA-N 625.702 2.084 0 40 KEAB C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 102975171 GUADHWARMVBNMG-LBPRGKRZSA-N 591.524 2.375 0 40 KEAB COc1ccc(OCC(=O)c2ccc(O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)cc2O)cc1 135956332 OSPUWYWJNWIARF-ZKZHHWRMSA-N 604.561 2.124 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 222969942 RKXPNPPWYWTALK-KRWDZBQOSA-N 507.584 2.306 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225197187 OHZJAQRLKDKQKQ-OAHLLOKOSA-N 529.400 2.221 0 40 KEAB CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643572833 JHCCOCJRPUGQDY-IWILMGSCSA-N 740.902 2.431 0 40 KEAB CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@]2(C)C[C@H](C)C(=N[C@H](C)[C@@H](O)[C@]1(C)O)O2 1534514511 BPENQAXMHXRNMD-BALUEWRPSA-N 730.937 2.405 0 40 KEAB biogenic O=C1NC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccccc1Cl)CC2 1548891306 ZLYWVCHQOXVECS-CTNGQTDRSA-N 520.051 2.397 0 40 KEAB CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@H](O[C@@H]3OC[C@H](O)[C@@H](O)[C@H]3O)C[C@@H]3OC[C@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@@H](OC(=O)[C@@H](O)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 2061001044 ZVEGOBHUZTXSFK-QHPUIGBGSA-N 986.033 2.199 0 40 KEAB CCOC(=O)c1sc2nc(CN3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)nc(N)c2c1C 12568340 SBJTYVQKQKIBQJ-UHFFFAOYSA-N 505.622 2.274 0 40 KEAB CCOC(=O)C1=C(N)C(C(=O)OCC)=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1c1ccccc1F 20459080 WSLCHGSGMSZOMR-CAVPUYEOSA-N 512.534 2.110 0 40 KEAB COc1cc2c(=O)n(Cc3ccc(C(=O)NC(C)C)cc3)c(=O)n(CC(=O)N3CCCCC3)c2cc1OC 45921841 PQQQSJUUECNUOG-UHFFFAOYSA-N 522.602 2.379 0 40 KEAB COc1ccc(CCNC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)cc1OC 71772520 UERCVZMDFVDZCL-SFHVURJKSA-N 528.631 2.336 0 40 KEAB CO[C@H]1O[C@H]([C@H](O)OC(=O)c2ccccc2)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 100378315 HGETVYKVKDWWIZ-QEHLSAKUSA-N 522.506 2.345 0 40 KEAB CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 150413544 KRVIIMWSCXORIQ-MPFGFTFXSA-N 786.839 2.407 0 40 KEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccc(CN2CCCC2=O)cc1 224762460 CUUMGDOEPVQFEX-UHFFFAOYSA-N 515.632 2.088 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)F)cc4C4CC4)[C@H]3SC2)s1 2732726 TYXCDQDQPWHCQL-RDTXWAMCSA-N 542.615 2.389 0 40 KEAB COCCCN(C(=O)CNc1cc(Cl)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3444076 VPAZKPJFLLKIAP-UHFFFAOYSA-N 501.971 2.311 0 40 KEAB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](c3ccccc3)N3CSC(=S)N(C(C)C)C3)[C@@H]2SC1 5837713 AXUHBKPZJHTHPF-VPWXQRGCSA-N 506.675 2.445 0 40 KEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1 20032186 PNQMVKOZVZRYBP-LJQANCHMSA-N 509.650 2.053 0 40 KEAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@@H]2CCCO2)cc1 96021908 WWWKQOSFUIWDGM-IBGZPJMESA-N 553.659 2.276 0 40 KEAB C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 100780895 ROBCLKBCTUIYKF-VVMIZEJSSA-N 559.623 2.467 0 40 KEAB CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 135957035 NNWAGEQDNUVUNB-IXSXPGEMSA-N 558.536 2.280 0 40 KEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc(OC)c3OCC(=O)O)C2=O)o1 409399222 GRCBEZOJRJVQAT-MLPAPPSSSA-N 509.265 2.394 0 40 KEAB CCCNC(=O)N1CCC2(CCOc3cc(-c4cccc(OC)c4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1 1548889610 IHDXKAIYACWYMB-VWNXMTODSA-N 586.711 2.339 0 40 KEAB Cn1cc(S(=O)(=O)NCc2noc([C@@H]3CCC(=O)N3Cc3ccc(OC(F)(F)F)cc3)n2)cn1 1775964009 NRPYZSICLWJXAV-HNNXBMFYSA-N 500.459 2.044 0 40 KEAB biogenic,in-vitro Cn1c(CNC(=O)CN2CCC[C@@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)nc2ccccc21 2037879849 UHGNOBUIKRNNNA-PMERELPUSA-N 544.656 2.157 0 40 KEAB Cc1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 835559 OAHKOZZREUGBKO-DEOSSOPVSA-N 513.641 2.375 0 40 KEAB CC(C)[C@@H](C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)N(C)C(=O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)C 6001855 XSAKVDNHFRWJKS-WYQCABFXSA-N 640.870 2.495 0 40 KEAB COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1 6973466 WUMSUKWLBNSOKZ-UHFFFAOYSA-N 508.579 2.454 0 40 KEAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](CC(C)C)C(=O)O)CC1 12866823 CREJKWSPRLMPRI-SFTDATJTSA-N 527.709 2.249 0 40 KEAB biogenic Cc1ccc(C)c(Cn2nnc3c(=O)[nH]c(C4CCN(S(=O)(=O)c5ccc(S(=O)(=O)NC6CC6)cc5)CC4)nc32)c1 38144987 AYBFEZFCFPXQTM-UHFFFAOYSA-N 597.723 2.189 0 40 KEAB Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCO[C@H](c2ccccc2)C1 85876705 LSWNFDFVEDZTIH-YRTUYQHASA-N 502.615 2.445 0 40 KEAB biogenic CCOC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5ccc(OC)c(OC)c5)[C@H]34)[C@@H]2C1=O 100902135 ILIWIHNLKASJOV-AOIMOCOISA-N 530.624 2.490 0 40 KEAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCN(S(C)(=O)=O)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 108447866 BZWLWVYYFZVCBH-QHCPKHFHSA-N 616.737 2.159 0 40 KEAB biogenic Cc1ccc(Cl)cc1N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O 224457840 QCCJIRBBFOKZAS-UHFFFAOYSA-N 574.121 2.411 0 40 KEAB COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)C)c1 225660656 JREHRSGHUWJYTA-SFHVURJKSA-N 508.616 2.389 0 40 KEAB O=C(CSc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1)Nc1ccccc1N1CCOCC1 409390161 JUOJVOAUDRVBPP-UHFFFAOYSA-N 507.620 2.441 0 40 KEAB O=C1Cn2cc(nn2)CN(C(=O)c2cnn3c(-c4ccc(F)cc4)ccnc23)Cc2ccccc2OCCN1 643555542 ATQBXQYVCCQGAZ-UHFFFAOYSA-N 526.532 2.478 0 40 KEAB COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NCC(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2)C1 12543947 NIJSQPOQACGMSD-GOSISDBHSA-N 502.593 2.013 0 40 KEAB Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)o1 12716825 SVWIVWPCVNQXMN-NJNPRVFISA-N 514.608 2.347 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1Cl 19820936 YXZAPDVTPQGSOB-OAQYLSRUSA-N 504.418 2.471 0 40 KEAB NS(=O)(=O)c1ccc(NC2=C[C@H](c3ccc(F)cc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 100813556 OFTCFBBVIOYNJQ-OAQYLSRUSA-N 502.549 2.204 0 40 KEAB COC(=O)Cn1/c(=N/C(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)sc2cc(S(N)(=O)=O)ccc21 100876785 FVMLIBVMWBCORR-LCUIJRPUSA-N 574.662 2.374 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(N)n(Cc2ccccc2)c1=O 103073826 BZKSXCRHIFOUJD-CQSZACIVSA-N 564.378 2.314 0 40 KEAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCSc1nc(-c2ccccc2)n[nH]1 222891502 NVKRORNXOMWWDS-UHFFFAOYSA-N 501.634 2.334 0 40 KEAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 223432591 HXDLRQZFRKEHMX-HXUWFJFHSA-N 507.609 2.032 0 40 KEAB C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224380011 CSAZMBYFAJUSQR-SFHVURJKSA-N 527.640 2.350 0 40 KEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)cc1 224438011 FENJBCNTCCNVDK-UHFFFAOYSA-N 573.693 2.406 0 40 KEAB Cc1cccc(CN2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1 224478298 SPISEYOTNGIRPT-UHFFFAOYSA-N 501.649 2.423 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 225486184 HTCHJKWABJPOCP-INIZCTEOSA-N 511.442 2.225 0 40 KEAB CC(=O)N1CCC(N2CCN3C(=O)c4ccc(-c5ccccc5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1 253398310 GXROJNAUSMTERU-YQOCYVMFSA-N 590.721 2.298 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2C[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC[C@]6(C)[C@@H](C7=CC(=O)OC7)[C@@H](O)C[C@]6(O)[C@H]5CC[C@@H]4C3)O[C@H](C)[C@H]2O[C@H]2C[C@H](O)[C@H](O)[C@@H](C)O2)C[C@H](O)[C@@H]1O 253407093 VOZHMAAEBAYRLK-MIDLWYIUSA-N 780.949 2.218 0 40 KEAB biogenic,in-vitro C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C(=O)Cc1ccc3c(c1)OCCCO3)CC2 643564105 JAURIIURHKZUFN-FQEVSTJZSA-N 501.624 2.211 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)cc1 3304831 CBZGDOHMENKTKL-UHFFFAOYSA-N 541.969 2.304 0 40 KEAB CCOC(=O)[C@](NC(C)=O)(Nc1cc([C@@](O)(C(=O)OCC)C(F)(F)F)ccc1OC)C(F)(F)F 8926472 HIEPFWWYBZYXTM-SJORKVTESA-N 504.380 2.378 0 40 KEAB CCCCCN(C(=O)CCC(=O)O[C@@H](C)C(=O)NCc1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O 12985900 AUVXIYFVGIWWDF-IBGZPJMESA-N 529.638 2.470 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N(c3cccc(Cl)c3)S(C)(=O)=O)CC2)cc1 13671966 NNCIFXPABPRPHK-QGZVFWFLSA-N 500.042 2.336 0 40 KEAB CC(C)(O)[C@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 49782050 MDPXIRWVLJUABC-HHPZIOBPSA-N 652.866 2.261 0 40 KEAB biogenic Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC2)c(C)c1 66129043 HIUOYFQXXTUEEV-UHFFFAOYSA-N 542.441 2.416 0 40 KEAB CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)c2C(=O)OC)C1 100817767 BGBQLZIUQOXYOJ-UHFFFAOYSA-N 539.676 2.449 0 40 KEAB COC(=O)Cn1/c(=N/C(=O)COc2ccc(Cl)cc2Cl)sc2cc(S(N)(=O)=O)ccc21 100876721 FOBGSNGYEVOEDN-PYCFMQQDSA-N 504.373 2.336 0 40 KEAB Cc1cccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1 224331714 PTDUHRWDZHFJFH-IBGZPJMESA-N 509.650 2.129 0 40 KEAB C[C@H](C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408703482 GDYLZGOPDDYKPA-AEFFLSMTSA-N 503.577 2.160 0 40 KEAB COc1ccc(OCCNC(=O)[C@@H]2CC(=O)NC(C)(C)C(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)cc1 643567937 BGVWWMPJXOWBNL-KCWPFWIISA-N 602.688 2.394 0 40 KEAB Cn1c(=O)c2c(nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2Cc2ccc(F)cc2)n(C)c1=O 1222964 LLKHADJDPZHXTN-UHFFFAOYSA-N 511.535 2.123 0 40 KEAB COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 13085327 RPZVEZDLKJBCJK-QFIPXVFZSA-N 513.591 2.189 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCn3nc(C(F)(F)F)c(Br)c3C3CC3)[C@@H]2SC1 17356905 NUOQPJBWTMYGPF-ACJLOTCBSA-N 581.367 2.234 0 40 KEAB O=C1[C@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)[C@H](Cc1ccc(O)cc1)N[C@@]21C(=O)Nc2ccc(Br)cc21 101386850 CDWHTEMYCKNZLL-BYPPRKSQSA-N 526.387 2.297 0 40 KEAB O=C(CCCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2cc3c(cc2c1=O)OCO3)NCc1ccc2c(c1)OCO2 102755603 ZDWHPIBGXXTPPL-SFHVURJKSA-N 582.635 2.338 0 40 KEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 103099421 XANKFRLVPGMLPR-UHFFFAOYSA-N 594.495 2.053 0 40 KEAB CCCOc1ccc(S(=O)(=O)NCC[C@@H]2CCCN2C)cc1C(=O)Nc1c(CCC)nn(C)c1C(N)=O 136539368 AVDNPWLQNUSNCB-KRWDZBQOSA-N 534.683 2.275 0 40 KEAB in-vitro COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@@H]([C@@H]5C(=O)N(CC(=O)O)C(=O)[C@H]54)[C@H]23)cc1OC 169678267 ACVICMKIVRMSAI-PZKIMMEGSA-N 502.570 2.012 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)NC(C)C)ccc3OC)CC2)cc1 225497588 VMWMCGKWLHFPAC-UHFFFAOYSA-N 525.649 2.430 0 40 KEAB O=C(N[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1cc(Br)ccc1Br)C(Cl)(Cl)Cl 575421029 GFZQVUHIFVQXEC-DTWKUNHWSA-N 593.530 2.142 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1 585274755 NEANADPRTNAGGM-LJAQVGFWSA-N 538.645 2.380 0 40 KEAB CN1CC(=O)NCCCOc2ccccc2C(=O)N[C@H](C(=O)O)CCC(=O)N[C@@H](Cc2ccccc2)COc2ccccc2C1=O 643570319 YINOSSSVLMZGJD-IGKIAQTJSA-N 630.698 2.427 0 40 KEAB COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)c1cc2ccccc2cc1O 3235213 FRPUKDKUGXKKAO-UHFFFAOYSA-N 500.529 2.370 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OCC 6631423 PXFUKWNOCTVMMT-FQEVSTJZSA-N 529.575 2.192 0 40 KEAB COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1C(=O)N1CCCCC1 10288728 HIZKYAWZOIIQSL-UHFFFAOYSA-N 521.661 2.325 0 40 KEAB COc1ccccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 12563170 QMIPDTDVGUKXEC-UHFFFAOYSA-N 503.577 2.112 0 40 KEAB CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(=O)N1CCOCC1 26117779 FKFRVFIUPGSWDV-UHFFFAOYSA-N 525.674 2.466 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1Br 215924394 XAYAPYHCRMCNHN-UHFFFAOYSA-N 540.421 2.445 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)c(Cl)c1 224297130 MIPQCJDJWGLCRJ-UHFFFAOYSA-N 534.031 2.225 0 40 KEAB CC(C)c1nc2cc(C(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c(N)nc(N)nc53)CO4)ccc2[nH]1 257333241 YAUOKPUAPGYQTO-IQGLISFBSA-N 519.610 2.378 0 40 KEAB O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 409024630 LKDYRIRGIVZCCQ-QFIPXVFZSA-N 543.623 2.160 0 40 KEAB CCOC(=O)/C=c1\s/c(=C\c2ccc3ccccc3c2)c(=O)n1CC(=O)NCc1ccc2c(c1)OCO2 3337901 QBFPHWPJPABSLG-SOSDAJRSSA-N 516.575 2.281 0 40 KEAB COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc2cc(S(N)(=O)=O)ccc21 8684000 FKGOKFOYRUAKND-SGEDCAFJSA-N 586.717 2.485 0 40 KEAB CC(=O)OC[C@H]1O[C@H](Oc2ccc3c4c(c(=O)oc3c2C)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 70680886 XZVTYSMAGDMFFS-YKUHLWEKSA-N 560.552 2.442 0 40 KEAB biogenic O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(F)cc2)[C@@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F 100868987 NFBPOUUUPVFMIL-SFHVURJKSA-N 518.832 2.007 0 40 KEAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@H](C)C(=O)O)C(=O)[C@H]23)cc1OC 100872252 YIGVFLRPDVBPHC-UUARRXPJSA-N 516.597 2.400 0 40 KEAB COc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1OC 103127155 QCSHSXGGCZHEIG-QGZVFWFLSA-N 555.005 2.177 0 40 KEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1 224240304 SIMKRQBNDJZIJO-UHFFFAOYSA-N 562.085 2.466 0 40 KEAB CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C 253476357 AGBCLJAHARWNLA-ZNJTXYOKSA-N 785.025 2.147 0 40 KEAB biogenic,in-vitro Cc1c(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 409023644 ACOGPVNFOVHQIV-UHFFFAOYSA-N 540.383 2.494 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccc(C)cc3)CC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 585282800 ODBUSWNBSPCPQF-NDEPHWFRSA-N 533.616 2.205 0 40 KEAB CN(CCCC[C@H]1C(=O)N(C)CCCCc2ccccc2OCC(=O)N1C)C(=O)CCN1CCCC1=O 643560021 YROJIZDRNYKKMQ-QHCPKHFHSA-N 514.667 2.328 0 40 KEAB COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N3)cc1OC 1860164 BFVULHUEMWTOGA-JOCHJYFZSA-N 588.948 2.138 0 40 KEAB CN1CCN(CCCNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)CC1 22935046 TYFSIAJNXNAGCH-UHFFFAOYSA-N 509.470 2.398 0 40 KEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)C2=O)cc1 32978487 ZQAXFJIJYOYYKZ-HHHXNRCGSA-N 507.591 2.074 0 40 KEAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)s2)cc1 223335528 GKYKZHAVRQAWGA-UHFFFAOYSA-N 521.646 2.102 0 40 KEAB Cc1ccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C)CC1 223777255 UROFSSNXRLCQIK-INIZCTEOSA-N 530.619 2.003 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 224349383 PQIRFMLIOKDULC-UHFFFAOYSA-N 535.688 2.375 0 40 KEAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCO)Cc1ccccc1 260725235 TWIMMEZAUFPMDL-AREMUKBSSA-N 523.655 2.197 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408986358 PCJURUYPSPSARP-FAUWUSJQSA-N 538.578 2.279 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409386444 FIOYFLFIHTUYSB-ZHHPLPSFSA-N 549.580 2.217 0 40 KEAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643565753 MPTBNOOUJYUNKO-URXFXBBRSA-N 545.036 2.015 0 40 KEAB CCOc1cccc2c1OCCOCCN(C(=O)Cc1csc(NS(C)(=O)=O)n1)C[C@@H]1CCCN1C2 643567302 BXZBVPRLSYJXAJ-FQEVSTJZSA-N 538.692 2.358 0 40 KEAB CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)cc1OC 643568031 HWBKRDMWCLLVPW-KUYFJXBMSA-N 660.768 2.317 0 40 KEAB Nc1ncccc1C(=O)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1 643578242 TWNDLGQOKXAQTO-BJKOFHAPSA-N 510.635 2.227 0 40 KEAB O=C(CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)Nc1ccc(F)c(F)c1 12537204 XWCARFOTKUIUOD-UHFFFAOYSA-N 522.574 2.345 0 40 KEAB COCCn1c(SCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nnc1-c1cccc(C)c1 38152224 MYNNVDFCSXIJBO-UHFFFAOYSA-N 535.630 2.136 0 40 KEAB COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)NCCc1ccccc1 59852322 SIPCUZTYIPUJQA-UHFFFAOYSA-N 531.656 2.397 0 40 KEAB O=C(CCCCCn1c(=O)c2sccc2n(CC(=O)NC[C@@H]2CCCO2)c1=O)NCc1ccc2c(c1)OCO2 101318931 KJGAOWPKHBVNPE-IBGZPJMESA-N 556.641 2.125 0 40 KEAB COc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(=O)N4CCN(c5ccccn5)CC4)c3N)cc2)cc1 101377174 CQLMUSSGDIKEKM-UHFFFAOYSA-N 534.602 2.016 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222629423 LIBLCMABGHRJLK-KRWDZBQOSA-N 507.584 2.306 0 40 KEAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223045230 GUSRHQFSUSOCQZ-OAQYLSRUSA-N 503.621 2.476 0 40 KEAB C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(S(C)(=O)=O)cc1 223877485 LJOOMKCBLQCTIJ-OAHLLOKOSA-N 500.042 2.171 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 224425192 BSOLZJPOSPAHTP-UHFFFAOYSA-N 535.688 2.457 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21 409390360 UWOJIPBOKYCEJN-ORDRXGECSA-N 605.669 2.484 0 40 KEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 12621920 RREJMSLPLZISOM-UHFFFAOYSA-N 518.544 2.230 0 40 KEAB COc1ccc(NC(=O)CSCC(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 12695448 DQRRITYHHWBCAA-IBGZPJMESA-N 506.602 2.130 0 40 KEAB CCOC(=O)C1=C(C)n2c(s/c(=C3\C(=O)N(C(C)=O)c4ccccc43)c2=O)=N[C@@H]1c1ccc(OC)cc1 13142578 ZFENLNWBYDIFNU-RKKARLDVSA-N 517.563 2.179 0 40 KEAB COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]5OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)cc3O2)cc1OC(C)=O 96316257 CZEMXLAKEGUZBI-UTCNMSBFSA-N 904.824 2.488 0 40 KEAB biogenic,in-vitro O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 97674635 DTXUVWSXPILRPF-CLEQQJOVSA-N 504.565 2.227 0 40 KEAB COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)C[C@@H]2C(=O)c3ccccc3S2(=O)=O)c1 100455887 LPZPQBUXWMSZRN-SMOXFMQHSA-N 570.664 2.468 0 40 KEAB COc1ccc(C(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1S(=O)(=O)N1CCOCC1 103090961 RSVZBZOKMJBSDT-UHFFFAOYSA-N 524.420 2.207 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 103093483 OCEQUGYNLAHGMF-UHFFFAOYSA-N 543.689 2.361 0 40 KEAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 103692756 NWOGROLFEFUITG-VNGQLYDISA-N 576.526 2.419 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224469702 WTBCBWZKWNGLHE-DEOSSOPVSA-N 553.703 2.064 0 40 KEAB Cc1c(Cl)cccc1N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O 224488028 NHCYTQIJVCZKSL-UHFFFAOYSA-N 574.121 2.411 0 40 KEAB Cc1cc2nc(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c(N)nc(N)nc53)CO4)[nH]c2cc1C 257224465 FBYIFXZLKQFOJN-NIYFSFCBSA-N 533.637 2.190 0 40 KEAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1 260714410 CJBBYPGODVCUKK-RUZDIDTESA-N 524.643 2.238 0 40 KEAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)Oc3cc(C)ccc32)cc1 260885899 ADQZDXYCKYUIJY-AREMUKBSSA-N 589.692 2.405 0 40 KEAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1 883771 AVCNLYGLWSWCOT-UHFFFAOYSA-N 516.649 2.300 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 5223468 DHEYTJVPOXJDMJ-UDEADWOUSA-N 579.580 2.044 0 40 KEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1 10342455 IEUITAVISZKBBL-PKTZIBPZSA-N 526.590 2.249 0 40 KEAB COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)c1 12790231 FVMBSVXAXUGVBU-CQSZACIVSA-N 512.009 2.074 0 40 KEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20031551 YICGHEVMTSYWJQ-OAHLLOKOSA-N 516.041 2.116 0 40 KEAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@@H]([C@@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]54)[C@H]23)cc1OC 169678207 SQEAXPYQNGORDS-PEEZTSTISA-N 516.597 2.402 0 40 KEAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 222608945 MEGQCYTUGBHCRJ-AWEZNQCLSA-N 547.390 2.360 0 40 KEAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)s2)cc1 223403930 SBQBUXGTNHRUSS-UHFFFAOYSA-N 550.688 2.144 0 40 KEAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)Oc3cc(C)ccc32)cc1 260885921 AUEWQHJARMQRPF-MUUNZHRXSA-N 615.730 2.476 0 40 KEAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(OC)c(OC)c2)C1 408663537 YOSIMEUULXKSKW-AWEZNQCLSA-N 505.911 2.041 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409034502 HHIOIICFJCZJBD-FVTDTAELSA-N 580.615 2.478 0 40 KEAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(Br)cc1OCC(=O)OC 409128194 IQSGYOMVVIMTJU-RQZCQDPDSA-N 543.392 2.295 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 409161546 VLOMVTFOLPFPDY-CINCIDGWSA-N 565.623 2.175 0 40 KEAB Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCc3cn(C)nc3C)CCO2)ccc1Cl 585283164 CELLJPFCMRYPJP-HHHXNRCGSA-N 532.085 2.464 0 40 KEAB Cc1cccc(/C=C/C(=O)N2CCCCOC[C@@H](O)[C@H](O)[C@@H](O)CN(C(=O)c3ccc(F)cc3)CC2)c1 643551807 SVKFKRYOUYXVRC-JRZFMFELSA-N 514.594 2.011 0 40 KEAB CC(C)[C@H]1NC(=O)C[C@@H](C(=O)N(C)CCOc2ccccc2F)NC(=O)c2ccccc2OC[C@@H]2CCCN2C1=O 643578418 VBUPZRDNMMRYRC-XAJLNHFYSA-N 568.646 2.376 0 40 KEAB COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C(C)C)COc3ccccc3C(=O)N2)cc1 643578731 OMQGAPPRWMOZPB-KSNOWIBYSA-N 568.671 2.149 0 40 KEAB O=c1nc([C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)[nH]c2c1nnn2Cc1ccc(F)cc1 6161892 ZUCOEZGDMSMNQS-INIZCTEOSA-N 526.550 2.042 0 40 KEAB CCOC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2nc3ccccc3o2)CC1 9969558 HPKSDROFXSGXKQ-UHFFFAOYSA-N 513.580 2.025 0 40 KEAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(CCO)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC 12703255 MUFWEEUMYNMJHQ-DEOSSOPVSA-N 526.569 2.117 0 40 KEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCO2 14399462 KEPXHWZCXHAGCG-UHFFFAOYSA-N 509.606 2.385 0 40 KEAB Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 19941597 LOKGKOMYDRFEHM-RDPSFJRHSA-N 517.590 2.451 0 40 KEAB O=C(Oc1coc(CSc2nnc(NC(=O)C3CC3)s2)cc1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 97990841 VNGFFZHQJWQEQM-UHFFFAOYSA-N 578.650 2.372 0 40 KEAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)cc1OC 100284806 RPURFPKBAHBNQE-HTAPYJJXSA-N 555.613 2.230 0 40 KEAB O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 103128760 UNMOHLPSICRXIB-MUUNZHRXSA-N 548.621 2.336 0 40 KEAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 223981341 MVSAIUCSDBECNW-KRWDZBQOSA-N 507.609 2.032 0 40 KEAB COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1S(=O)(=O)N1CCCCC1 225084971 MQTBUYIGYWOWNJ-UHFFFAOYSA-N 507.590 2.324 0 40 KEAB CC(C)C[C@H](NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O 245380363 XNJISPIGUVSARX-XPWALMASSA-N 522.602 2.058 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409035568 JHTRNEFMKOTDTG-YDEDFUHSSA-N 610.641 2.212 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccccc1OC 409171299 ZPPFTLKALXMSPT-QEYQTOMISA-N 577.659 2.045 0 40 KEAB COc1cccc(-c2ccc3c(c2)OCCC2(CCN(Cc4cnn(C)c4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 1548889614 IOIRMKYOTWHPNW-RSXGOPAZSA-N 595.722 2.153 0 40 KEAB O=C1N[C@H]2CCN(C(=O)CCn3ccccc3=O)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1 2037885048 UKCKVFSMWGJRLE-KWXIBIRDSA-N 560.695 2.446 0 40 KEAB CSCC[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C)C(=O)O 8789950 AYAWCROTMRTKRY-PCGFQKROSA-N 520.611 2.465 0 40 KEAB biogenic COc1ccc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3ccc(OC)c(C)c3C)CC2)c(C)c1C 36370370 QVCBYDCUNYCRKV-UHFFFAOYSA-N 525.693 2.222 0 40 KEAB COc1cccc(N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)S(=O)(=O)c2cc(C)ccc2OC)c1 59838045 NKPFCBOHKPNTHB-UHFFFAOYSA-N 533.628 2.171 0 40 KEAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 150428881 TZFVHDFGTMBBRI-UHFFFAOYSA-N 666.775 2.117 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 253499071 LTMHDMANZUZIPE-INMZUDMSSA-N 780.949 2.218 0 40 KEAB biogenic C[C@@]1(O)CC2(CCN(C(=O)c3ccc4nc(C(F)(F)F)[nH]c4c3)CC2)OC[C@H]1n1ccc(N)nc1=O 257323404 WKADXUJJRHOXCW-IIBYNOLFSA-N 506.485 2.108 0 40 KEAB O=C(CN1C(=O)N/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O)Nc1ccc(F)cc1 408961217 LJEGBMWYNMVROW-BKUYFWCQSA-N 505.506 2.171 0 40 KEAB CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)NCCn3ccc(NS(C)(=O)=O)n3)c2C1 643570497 CARIOAXQEQTKJB-UHFFFAOYSA-N 548.710 2.212 0 40 KEAB CCCn1c(S[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)nc2ccccc21 70712150 XTKCEVAHHCAADL-JLMDMGSGSA-N 521.592 2.195 0 40 KEAB biogenic COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc2cc(S(N)(=O)=O)ccc21 100876731 BYZNCWMPGHPLAS-SGEDCAFJSA-N 600.700 2.011 0 40 KEAB C[C@@H](N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O 150341071 WLEIRCQWNYWCPZ-CFCLLVJUSA-N 746.913 2.250 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C 256079323 AGBCLJAHARWNLA-AUXDNQMYSA-N 785.025 2.147 0 40 KEAB CCOc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1OC 643568974 HNESOCVMMQMRKM-PGNPNZOKSA-N 667.804 2.264 0 40 KEAB CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CN[C@@H](C)c2cc(O)n3nc(C)cc3n2)CCCCOC[C@@H](O)[C@H]1O 643586717 XCYMANDPGMVLMU-CDJSEHTRSA-N 672.799 2.466 0 40 KEAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 3360367 BCEIHMFQWBCERK-UHFFFAOYSA-N 506.588 2.211 0 40 KEAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 20464899 NDMCFYKBMIXGKX-CLAROIROSA-N 510.513 2.018 0 40 KEAB biogenic,in-vitro COc1cc(/C=C/C(=O)N2CCN(C[C@@H](O)COc3ccc(C(C)=O)c4c3OCCO4)CC2)cc(OC)c1OC 72266889 SYFDPNLESAYNCB-WKOQKXSESA-N 556.612 2.284 0 40 KEAB in-man Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c(=O)n(-c2ccccc2)n1C 101406426 RABDPODASIDYPJ-UHFFFAOYSA-N 548.463 2.192 0 40 KEAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 224547081 QQIKUWBLAFASBQ-OAQYLSRUSA-N 508.616 2.391 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 226085502 CSMXTSDNYLYLAU-UHFFFAOYSA-N 523.677 2.239 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@@H]2C[C@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@]1(O)[C@H]2OC 261347130 NWBWCXBPKTTZNQ-JYTNEUHJSA-N 584.710 2.222 0 40 KEAB O=C1C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)N1 643566507 SUTVTLQINJNJLW-DPFTZIENSA-N 669.779 2.140 0 40 KEAB O=C1C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)N1 643576019 DMJPDXMVORYZFN-HEVIKAOCSA-N 738.886 2.379 0 40 KEAB COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nnc(-c3ccc(C)cc3)n2C)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1 643913474 ZDEFZEXVNGNCFR-YIPGRGJBSA-N 635.828 2.148 0 40 KEAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3218218 ZQTDJZANPUULCK-UHFFFAOYSA-N 585.660 2.254 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OCC)cc1 6601009 DHNNABOSWKWWNW-IBGZPJMESA-N 531.616 2.352 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 8451543 NQCCKRSFHAZCBZ-FIWMFUAISA-N 509.584 2.237 0 40 KEAB COc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1S(=O)(=O)N1CCCC[C@@H]1C 12529426 KXGVMZJUMQJLFX-AWEZNQCLSA-N 502.549 2.223 0 40 KEAB Cn1c(=O)c2c(nc(SCSc3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3)n2Cc2ccccc2)n(C)c1=O 98005841 IQWVVCNKQXHWKS-UHFFFAOYSA-N 616.729 2.119 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2cc(Br)c(N)c(Br)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 226552541 RAQHNWWPQJUHKT-ABHMUUKNSA-N 655.318 2.163 0 40 KEAB O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(Cc4ccc(F)c(F)c4)C[C@@H]13)CC[C@H]2n1cc(CN2CCOCC2)nn1 253402361 OEARGOOBASMVGZ-CJKLZUFXSA-N 665.742 2.403 0 40 KEAB CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 256080451 YOSRLTNUOCHBEA-UNKKPQRISA-N 794.976 2.409 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409043484 MMGFDSPXJCXKMX-OBVMJLIASA-N 537.594 2.144 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409081169 JVSXEEZDSUHWBP-DLBLZJNESA-N 532.622 2.387 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cc(C)cn3)c2)C[C@](O)(COc2ccccc2)C1 585280671 QVLNZPSJFBJICF-GDLZYMKVSA-N 538.645 2.380 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccc(C)cc3)CC2)C[C@](O)(COc2ccc(F)c(F)c2)C1 585285926 FFSVUGAHGCMICV-MUUNZHRXSA-N 533.616 2.205 0 40 KEAB CN1CC2(CCCCc3ccccc3OCCCC1=O)CCN(C(=O)[C@H]1COCCN(S(=O)(=O)N(C)C)C1)CC2 643563590 DHPXDXGAPOBBSY-RUZDIDTESA-N 578.776 2.394 0 40 KEAB CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN(C)C)CCC(=O)N(Cc2ccccc2)CC(=O)N1 643577858 HHJYXJNGRLEOFU-IZZNHLLZSA-N 565.715 2.195 0 40 KEAB CC(C)C[C@@H](N)COc1cc(Cl)ccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O 2037879878 VJTOWIADIDPFBX-ZLTNCQPASA-N 520.026 2.384 0 40 KEAB COC(=O)C[C@H](NC(=O)[C@H](Cc1cncn1C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 4879530 OMRMPOFWTDYPRJ-VXKWHMMOSA-N 552.540 2.038 0 40 KEAB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](c3ccc(O)cc3)N3CSC(=S)N(C(C)C)C3)[C@@H]2SC1 5837672 RLLDJYRKFNTHPT-VPWXQRGCSA-N 522.674 2.151 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccc4c(c3)OCCO4)n2)cc1OC 6134008 LUZRAVBGVFLTCE-UHFFFAOYSA-N 524.578 2.324 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)CCSc2ccc(C)cc2)c(N)n(Cc2ccccc2)c1=O 13040878 NFFBPLQPHIEOIO-UHFFFAOYSA-N 525.583 2.030 0 40 KEAB Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O 20237416 YOUYUYGPQXXLQD-UHFFFAOYSA-N 502.014 2.074 0 40 KEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21 100877603 XXZFJNOWBVPCOZ-VQUQMLDKSA-N 580.710 2.075 0 40 KEAB COCCN(C(=O)CSc1nnc(-c2ccccc2F)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 103062168 HIVXFXQHXDQZNX-UHFFFAOYSA-N 526.550 2.128 0 40 KEAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]2[C@H]2C[C@@H]3[C@@H]3C(=O)N(CCC(=O)O)C(=O)[C@@H]23)cc1OC 169678210 SQEAXPYQNGORDS-ZZJOKNROSA-N 516.597 2.402 0 40 KEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1OC 226037075 CARFPMCAOREQNE-SANMLTNESA-N 553.637 2.477 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2)cc1OC 260740267 MWNUDZQEODSQDY-KRWDZBQOSA-N 525.649 2.302 0 40 KEAB O=C(/C=C/c1ccc(F)cc1Cl)N1CCCCOC[C@@H](O)[C@H](O)[C@@H](O)CN(C(=O)c2ccc(F)cc2)CC1 643551762 LLGMUAAFWLKNJS-PMCDNSTOSA-N 553.002 2.496 0 40 KEAB CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCC2)CC(=O)N[C@H](CC(C)C)C(=O)N1C 643584565 QOGZTTNAEKBQGA-ZKMPZPQNSA-N 557.736 2.184 0 40 KEAB Cn1cc(-c2ccc3c(c2)OCCC2(CCN(C(=O)Nc4ccc(F)cc4F)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 1548891123 XOVMXGUUNQRCGI-QPPBQGQZSA-N 630.674 2.455 0 40 KEAB CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCC[C@@H](C)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O 12897492 VOVFCVUHLYCNID-GOSISDBHSA-N 507.632 2.024 0 40 KEAB CCCCCN(C(=O)CCC(=O)O[C@H](C)C(=O)NCc1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O 12985902 AUVXIYFVGIWWDF-LJQANCHMSA-N 529.638 2.470 0 40 KEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 20031690 YYZIOWNCLWANMG-UHFFFAOYSA-N 500.042 2.307 0 40 KEAB COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2cccc(C)c2C)CC1 20084230 WTWUOBFOJICERD-VWLOTQADSA-N 517.590 2.418 0 40 KEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NC[C@H](C)NC(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C 97981344 QPEIGWCLQRKSRF-KRWDZBQOSA-N 586.831 2.466 0 40 KEAB COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)cc1OC 100309810 IFXVDGSKMOIKID-HJPURHCSSA-N 583.623 2.253 0 40 KEAB O=C(NCCN1CCOCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223153569 YUWSGGTZICCWAY-JGCGQSQUSA-N 668.788 2.314 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C(=O)NCCCO)c2ccccc2)cc1 223506863 WNCYMAIRTBGGQW-PMERELPUSA-N 611.717 2.364 0 40 KEAB Cc1ccc(C)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)N(C)C)c1 224388307 PWUBGJSUIRHRNH-UHFFFAOYSA-N 552.719 2.286 0 40 KEAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225586081 HMFRYGARWMQMGD-QGZVFWFLSA-N 507.584 2.305 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N([C@H](C)C(=O)O)C(=O)[C@H]54)[C@H]23)cc(OC)c1O 245225853 UQLSDJKSMCWMSD-GDUWKEFUSA-N 532.596 2.106 0 40 KEAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccc3c(c2)OCO3)cc1 1333361 OTGUDGSLKFQBNR-UHFFFAOYSA-N 531.612 2.495 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4c(Cl)c(C(F)(F)F)nn4C)[C@@H]3SC2)s1 2784554 XCHROZGFNMDEOE-CLAHSXSESA-N 554.985 2.397 0 40 KEAB CCS[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(=S)[nH]cnc21 5665559 IUQZNKFOBHQCTI-RTGYIXHDSA-N 586.645 2.030 0 40 KEAB COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 6905113 MCTOYHAPIRNAOK-IBGZPJMESA-N 501.540 2.123 0 40 KEAB COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2cccc3ccccc23)c(N)n(Cc2ccccc2)c1=O 13018258 MCDGTJIRLNYLOP-UHFFFAOYSA-N 501.495 2.006 0 40 KEAB Cc1ccc(Cl)c(OCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1 32971925 REMFTYOPWHFTCU-UHFFFAOYSA-N 508.019 2.263 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 38771593 ZBWSRCCEWGAHNS-OAHLLOKOSA-N 507.619 2.378 0 40 KEAB COc1cc(OC)c2c(C)c(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)NCC(=O)O)c(=O)oc2c1 70699839 ZBVOEKYTEACPNK-IBGZPJMESA-N 528.583 2.280 0 40 KEAB biogenic CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O 245380431 ZDQWBWOFDJWWJQ-ASLXYRGWSA-N 522.602 2.058 0 40 KEAB Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2cccs2)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 9764134 DNPZSDFWCTUMAA-OAQYLSRUSA-N 501.586 2.164 0 40 KEAB COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20083134 ZMGMWENJAHIRQC-AREMUKBSSA-N 531.617 2.414 0 40 KEAB Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2Cc2cccc3ccccc23)n(C)c1=O 20235293 UAJRBLQNLWYNFD-UHFFFAOYSA-N 512.570 2.186 0 40 KEAB CC(=O)c1ccc(OCCCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 32971985 BVGASFJTPDVFSP-UHFFFAOYSA-N 529.638 2.284 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 60060954 VWTGTOXLSSSBIZ-INIZCTEOSA-N 539.632 2.044 0 40 KEAB Cc1cccc(C)c1NC(=S)NNC(=S)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 102927963 RNTLZMOWUOUGGO-UHFFFAOYSA-N 535.717 2.149 0 40 KEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 223175872 LQWJBHFZZDWYPG-UHFFFAOYSA-N 525.649 2.310 0 40 KEAB CS(=O)(=O)N1C[C@@H](C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2ccc(Cl)cc21 224400551 SDNCEJSVGPTGND-QFIPXVFZSA-N 558.078 2.237 0 40 KEAB O=S1(=O)C[C@H](O)[C@@H](N(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575423555 GJYKNROENDEQCD-ROUUACIJSA-N 612.362 2.427 0 40 KEAB NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)c1N 6444815 BKZVJAIBMGXQND-FXAWDEMLSA-N 512.567 2.037 0 40 KEAB COc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 59607525 IHBZDYOLXLXYFH-NRFANRHFSA-N 533.551 2.192 0 40 KEAB Cc1cc(SCC(=O)N2CCN(c3ccccn3)CC2)nc(SCC(=O)N2CCN(c3ccccn3)CC2)n1 100928057 KDEHSDZAPDBNRO-UHFFFAOYSA-N 564.741 2.457 0 40 KEAB CCCN1CN([C@@H](C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@H]23)c2ccc(O)cc2)CSC1=S 104297925 SIJFNKDGKLZGAX-XAUMDUMWSA-N 522.674 2.153 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224307356 KNZKVZPNYKXPKH-UHFFFAOYSA-N 551.687 2.463 0 40 KEAB CN(c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)S(=O)(=O)c1cccs1 224466268 WATZNUXJZCJIMT-UHFFFAOYSA-N 565.695 2.403 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 225030076 SKNYOFASENDOJE-GOSISDBHSA-N 508.616 2.391 0 40 KEAB O=S1(=O)NC[C@H](O)CN(CCC(F)(F)F)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2 253401047 MJMHLXXKBOPPHA-AEHXPESNSA-N 562.582 2.281 0 40 KEAB COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)CC1=O 408653541 IKMPVOFJIGUPMY-CQSZACIVSA-N 534.363 2.450 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409159991 OUCSDBJWHRHLJW-YIECNSLDSA-N 637.711 2.062 0 40 KEAB COCC(=O)N1CCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 585282025 FYOHKMNZDMCXKY-LJAQVGFWSA-N 529.653 2.375 0 40 KEAB NC(=O)c1c(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)sc2c1CCCC2 3329750 PWJMDVVTDGJPSU-UHFFFAOYSA-N 542.035 2.196 0 40 KEAB O=S(=O)(N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3ccc(-n4ccnc4)cc3)CO[C@H]12)c1ccc2ccccc2c1 4147863 LFRHMSMWAHYCEV-CXSMSNRLSA-N 545.581 2.490 0 40 KEAB biogenic,in-vitro CC[C@@H](C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 6631721 HXZWBLHGOXFQTD-UXHICEINSA-N 500.600 2.202 0 40 KEAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O 14141998 ZALHIFMPXHNNJL-MHZLTWQESA-N 520.611 2.281 0 40 KEAB CC[C@H](C)[C@@H](NC(=O)[C@@H](Cc1ccc(OC(=O)C(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O 70665045 CMZZQMLGUMWKBW-MDFGKDKASA-N 606.717 2.440 0 40 KEAB Cc1c(CC(=O)N2CCC(C(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)(c3ccccc3)CC2)c(=O)oc2cc(O)ccc12 70705163 KXJLETZDFLFAJC-HHHXNRCGSA-N 577.634 2.252 0 40 KEAB biogenic O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCN(c2ccc(F)cc2)CC1 72329742 WZIOTRRKVKUNAS-UHFFFAOYSA-N 506.494 2.280 0 40 KEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cc(C)ccc21 100877167 IKOJMQRXTIMEHZ-VHXPQNKSSA-N 503.602 2.336 0 40 KEAB O=C1c2ccccc2S(=O)(=O)N1CSc1nnc(SCN2C(=O)c3ccccc3S2(=O)=O)s1 100954979 DMAWMIPCWYHTPW-UHFFFAOYSA-N 540.651 2.327 0 40 KEAB CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O 102738807 MZKGMNRGLFGAAW-JOCHJYFZSA-N 584.724 2.081 0 40 KEAB Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c(C)c1 224287616 JRNQGNZIXOBVHP-UHFFFAOYSA-N 509.650 2.049 0 40 KEAB Cc1cc(C)cc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1 224287777 JWPGFANCIZRHFL-UHFFFAOYSA-N 509.650 2.049 0 40 KEAB COc1cccc(N(CCCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(C)(=O)=O)c1 224347592 LHVXVSAWLPNECF-UHFFFAOYSA-N 509.650 2.083 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 224452576 PVVWINPZTTYFGF-UHFFFAOYSA-N 545.639 2.317 0 40 KEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 224540894 IJUMTTZTZCALAU-UHFFFAOYSA-N 528.037 2.446 0 40 KEAB CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)[C@H]2C(=O)N(c3cccc(S(=O)(=O)N(CC)CC)c3)C(=O)[C@H]42)c1 245265390 GSHXHFGOLJGKKB-LMHMGINLSA-N 668.794 2.475 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409038067 OKCMAACFDWPKSI-GLISRPLSSA-N 569.636 2.408 0 40 KEAB Cn1ccnc1CN1C[C@@H]2C[C@H]1C(=O)NC[C@H]1O[C@H](CCOc3cc(-c4ccccc4)ccc3C(=O)N2)CC[C@@H]1O 514287460 DKGUSOYDEUKSHX-WKRKAGLOSA-N 559.667 2.267 0 40 KEAB O=C1NCCNC(=O)[C@]2(CC=CCOc3ccccc31)CCCN(CC(=O)N1CCN(c3ccccc3F)CC1)C2 2037879600 GSJVASHOLVERFL-WJOKGBTCSA-N 563.674 2.441 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)c1cc(Cl)ccc1OC[C@@H](N)CC(C)C)C(=O)O 2037879744 NJSAHYDDLDGHAG-MWUWBQKZSA-N 513.035 2.072 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 685336 MLYBGHPZIBZTNA-YVVITCHPSA-N 552.653 2.160 0 40 KEAB COc1cccc(-c2nn3c(=O)cc(CN4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)nc3s2)c1 41085887 YGCUHESCPZYXRS-UHFFFAOYSA-N 515.592 2.472 0 40 KEAB COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cccc(I)c3)c(=O)n12 101756999 DASNBTKJDYFXCB-BGBCCIMSSA-N 532.359 2.464 0 40 KEAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)C2=O)cc1 102894765 OIEYVHCXQXQDPV-VWLOTQADSA-N 534.585 2.217 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222931168 LDZIVALUPROCRA-HXUWFJFHSA-N 533.647 2.038 0 40 KEAB CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 3239941 GFLAAQLWPBDHGV-UHFFFAOYSA-N 511.394 2.285 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)CC2)C(C)C)cc1 9209487 BTSLAJVJQWBZPB-ZEQRLZLVSA-N 529.659 2.349 0 40 KEAB O=C(NCCCN1CCOCC1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl 12528111 BTITWGOHOTZOQT-UHFFFAOYSA-N 507.056 2.303 0 40 KEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)cc2)nc(C)n1 12536195 XCAHLOHAGFCBKR-DEOSSOPVSA-N 508.560 2.300 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CCSC)C(=O)O 70704737 RAFSARHBQPWJQX-QMZRJTEUSA-N 554.669 2.327 0 40 KEAB biogenic COc1cc2c(cc1OC)CN(Cc1c(O)c(=O)cc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)n1C)CC2 85875143 GSECXWOXZZUHSB-KNQAVFIVSA-N 532.641 2.447 0 40 KEAB biogenic COc1ccc(/C=c2/sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)cc1O 96913805 YVKZVUFVGGVZBU-OHNPLZAESA-N 527.606 2.333 0 40 KEAB Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)o1 100274962 AXUSWUCYFWVKBF-VFNWGFHPSA-N 541.586 2.180 0 40 KEAB COCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 222963688 IIWUOHUDRVRCJP-LJQANCHMSA-N 517.648 2.248 0 40 KEAB CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643564756 DIWRUIJDBJONGW-KDSXSNECSA-N 559.063 2.452 0 40 KEAB Cc1ccc2[nH]c(C3CCN(S(=O)(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)CC3)nc2c1 1335132 BNDZEXRBHWMLEB-UHFFFAOYSA-N 504.634 2.461 0 40 KEAB NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)c1ccccc1 4900795 QJPXSFLBPXVGFN-ZDUSSCGKSA-N 536.107 2.428 0 40 KEAB COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O 5260470 DMLKUPXKUQREOC-AMWBNRJOSA-N 575.412 2.186 0 40 KEAB COC(=O)N1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 16227516 UUSJMFQPPAHJSU-UHFFFAOYSA-N 511.984 2.463 0 40 KEAB CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCN(C(=O)OCC)CC4)cc3)c2C(N)=O)C1 38139092 CAQNUYDKCCHGRO-UHFFFAOYSA-N 563.702 2.330 0 40 KEAB Cc1ccccc1-c1nn2c(=O)cc(CN3CCN(S(=O)(=O)c4c(C)noc4C)CC3)nc2s1 41077590 SCPQPQMCWHCDIY-UHFFFAOYSA-N 500.606 2.238 0 40 KEAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)CC2)cc1 70687301 DWPZSOLOUWKGBU-UUOWRZLLSA-N 540.642 2.194 0 40 KEAB biogenic Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCOCCOCCOCCOCCOCC2)cc1 141919679 RJLGGLYEZASIQB-GDLZYMKVSA-N 603.738 2.291 0 40 KEAB O=C(CN1C(=O)N/C(=C\c2ccc(O)c(I)c2)C1=O)Nc1ccc(N2CCOCC2)cc1 408965588 WDWXECYMLCRUDD-PDGQHHTCSA-N 548.337 2.365 0 40 KEAB CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643573055 OUFNJXVLJINIRR-DNMLDJFRSA-N 659.759 2.439 0 40 KEAB COCC(=O)N1CCN(C(=O)/C=C/c2c[nH]c3ccccc23)CCCCOC[C@H](O)[C@H](O)[C@@H](OC)[C@@H]1CC(C)C 643586980 OCQAHFGGSDWHQW-NAFUBMFDSA-N 559.704 2.447 0 40 KEAB CN(C)CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)CCCCCCOc2ccccc2C(=O)N1 1615162107 ZMVVVSGXHJQXDA-SVBPBHIXSA-N 579.742 2.334 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)(F)F)cc4C4CC4)[C@@H]3SC2)s1 2809182 JGCTWQFRMKBSGJ-PBHICJAKSA-N 560.605 2.470 0 40 KEAB COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 5260440 SISGBWZDEMMSLV-KVZQYWQLSA-N 534.359 2.042 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 8417148 KVKPMJCOWPEUBL-METNYHJSSA-N 562.597 2.499 0 40 KEAB CSCC[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)O 38144914 ZRPCKLCAFOLTCA-YSNXFJTQSA-N 591.723 2.211 0 40 KEAB biogenic COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 44882381 COGAKZIBDRZJFU-NRFANRHFSA-N 509.606 2.036 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 211741249 OBBRUEHSMUKKMU-IOKRJLGCSA-N 524.551 2.250 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 222840997 FMWVMJXYRJLCAV-OAHLLOKOSA-N 512.426 2.387 0 40 KEAB CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409390425 VEGLKYGHDLOFST-SBXHHDGASA-N 561.616 2.087 0 40 KEAB Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)n1 643565959 SJDIOZWVXIOROU-LEWJYISDSA-N 543.690 2.071 0 40 KEAB Cn1cc(S(=O)(=O)N2CCN3CC(=O)Nc4cc(-c5ccc(F)cc5F)ccc4OC[C@H]3C2)cn1 1772594672 JQQGZPSYDSWOEN-QGZVFWFLSA-N 503.531 2.071 0 40 KEAB CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)[C@@H]12 3917540 SUYRLXYYZQTJHF-VMBLUXKRSA-N 690.860 2.269 0 40 KEAB world COCCNC(=O)[C@H](c1ccc(O)cc1)N(CCc1cccc(C)c1)C(=O)c1snc(C(N)=O)c1N 12467207 GUZPSKPGIMVXLA-NRFANRHFSA-N 511.604 2.027 0 40 KEAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12574915 HBGFWDCRNQGFFB-LFYBBSHMSA-N 505.618 2.144 0 40 KEAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 19941310 IBMHLTYGHNAFLR-XXBNENTESA-N 503.563 2.142 0 40 KEAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCc1ccc(S(N)(=O)=O)cc1 20032819 IVBUSKMIERDRRA-UHFFFAOYSA-N 507.565 2.278 0 40 KEAB COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc(OC)c1OC 97980231 ZGVPJYICVIPGBQ-XSFVSMFZSA-N 549.627 2.429 0 40 KEAB COCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 222963749 IIWUOHUDRVRCJP-IBGZPJMESA-N 517.648 2.248 0 40 KEAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1 223256416 CEOZKEBBEPTVJY-VWLOTQADSA-N 524.643 2.238 0 40 KEAB O=C(Nc1nnc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1)c1ccccc1Cl 225444820 COMWYBNDEFJATD-UHFFFAOYSA-N 528.037 2.139 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3ccnc3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 585275199 ZXEQOBQRAQYQID-MUUNZHRXSA-N 560.598 2.350 0 40 KEAB CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C[C@@H]3OC[C@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@@H](OC(=O)[C@@H](O)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 2061001041 ZVEGOBHUZTXSFK-AHGLWYBLSA-N 986.033 2.199 0 40 KEAB COc1ccc(-c2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2CCc2ccccc2)cc1 3316315 NLYBLFMHTANTMD-UHFFFAOYSA-N 506.588 2.151 0 40 KEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 13038518 ZHDZUDWKWGRQNO-CNJGYECJSA-N 500.602 2.011 0 40 KEAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OC 20042533 XTLAIAYULQNOLZ-IBGZPJMESA-N 518.636 2.133 0 40 KEAB C[C@H](OC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 25425016 SXZRVJVPUORWDC-IBGZPJMESA-N 525.583 2.288 0 40 KEAB C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224297881 LLZMBMSYUWXPKA-KRWDZBQOSA-N 530.068 2.474 0 40 KEAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 225465093 KHMVIJAUMOVGGH-HNNXBMFYSA-N 529.432 2.364 0 40 KEAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)Oc3ccccc32)cc1 260888189 JSXCZJTWNNHCIH-RUZDIDTESA-N 559.666 2.397 0 40 KEAB CC(=O)c1cc(OC(=O)CN2C(=O)c3ccccc3C2=O)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 958668 BKORYMNCEICSDY-UHFFFAOYSA-N 526.457 2.292 0 40 KEAB COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)cc1 8686548 NFFQMUTVGMTGIX-YIXXDRMTSA-N 578.647 2.300 0 40 KEAB COC(=O)c1c(NC(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCC2 8693966 RVGXFQLKWFQFMO-UHFFFAOYSA-N 536.628 2.159 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C(=O)Nc3cc(C)nn3-c3ccccn3)CC2)cc1 16033777 DRTZJQBMKIFFQI-LJQANCHMSA-N 510.620 2.428 0 40 KEAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC1)C2=O 66136320 HCHNAPRWUHYVPI-PSLXWICFSA-N 530.569 2.074 0 40 KEAB CCOC(=O)C1=NO[C@H]2[C@H]1[C@@H]1C[C@@H]2[C@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]12 100924297 OXPDVIMGYINVSJ-AXTXNKCDSA-N 500.861 2.351 0 40 KEAB CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1ccc(OC(=O)C(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)O 102804913 CMZZQMLGUMWKBW-XMXZMMKCSA-N 606.717 2.440 0 40 KEAB COc1ccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1 223332334 KTHKYWPTYLCJTC-UHFFFAOYSA-N 525.649 2.209 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224997047 XQRPGMAOQMMTEG-SFHVURJKSA-N 519.620 2.176 0 40 KEAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1 260719656 LGABUYUQZITOQV-RUZDIDTESA-N 524.643 2.238 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409149656 MKHRQMJDHRVWLY-HOGKFDNTSA-N 517.563 2.264 0 40 KEAB CN(C[C@]1(O)CCCN(c2ccnc3cccnc23)C1)C(=O)CC[C@@]1(c2ccc(F)cc2)NC(=O)NC1=O 2037880245 YARWXJHYCXNOOO-SXOMAYOGSA-N 520.565 2.074 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 1248828 GZSYKIZUYDKHPN-QCHPHUCNSA-N 506.536 2.259 0 40 KEAB Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 19940612 ZTKFDCUFDOEFFX-AUSIDOKSSA-N 503.563 2.142 0 40 KEAB O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(C[C@H](O)COC[C@H]2COc3ccccc3O2)CC1 22914712 NYZDWHKNLSAHAP-GOTSBHOMSA-N 531.609 2.271 0 40 KEAB CCn1c(COc2ccccc2Cl)nnc1S[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O 103506791 CBDVADVIHJPHMA-HCSYDALLSA-N 599.062 2.279 0 40 KEAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C(=O)NCc2ccccn2)cc1 222934377 CLPNDGIJMCVDNC-JOCHJYFZSA-N 582.679 2.224 0 40 KEAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 225051693 WZXLIRSBXQAGMI-LJQANCHMSA-N 505.637 2.456 0 40 KEAB CCN1C[C@@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@@]1(O)[C@@H]2OC 247943037 NWBWCXBPKTTZNQ-QGMCVOTMSA-N 584.710 2.222 0 40 KEAB biogenic CCOC(=O)N1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 409004251 OWCDXKKSXWFQBE-UHFFFAOYSA-N 519.620 2.238 0 40 KEAB CO[C@H]1CCCN(C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2ccccc2OCc2ccccc2)[C@H]1CC(=O)N[C@@H](CCC(N)=O)C(=O)O 643551821 XQAJAGOSDBNUNO-HBETUCEISA-N 800.954 2.380 0 40 KEAB CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)NC(=O)c2ccccc2OCCNC1=O 643568081 ITIJKFSOWAPOHS-BKMJKUGQSA-N 677.725 2.065 0 40 KEAB COc1ccc(CCC(=O)N2CCC3(CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC(=O)N(C)C3)c(OC)c1OC 2037946910 YLKCRXXLOZZLEK-BJKOFHAPSA-N 570.683 2.459 0 40 KEAB CC(=O)c1ccc(N2CCN(C(=O)C(=O)c3cn(CC(=O)N4CCOCC4)c4ccccc34)CC2)cc1 10257116 RPSCIOGVCMPLGW-UHFFFAOYSA-N 502.571 2.234 0 40 KEAB CC(C)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](C(=O)O)[C@@H](C)O 12881327 MYYHSDWJYWRFHS-RLLQIKCJSA-N 505.612 2.046 0 40 KEAB biogenic CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 20031520 OOAGWLBOHBWNPC-SFHVURJKSA-N 509.650 2.161 0 40 KEAB O=C(CSc1nnc(CCN2C(=O)c3cccc4cccc(c34)C2=O)n1-c1ccccc1)N1CCN(CCO)CC1 97985322 ZYYWANARIVLQMJ-UHFFFAOYSA-N 570.675 2.488 0 40 KEAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223060076 WOLAFAUOZMRNOX-CQSZACIVSA-N 508.394 2.147 0 40 KEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 224330611 MLFJHZVFDXDSSK-UHFFFAOYSA-N 507.634 2.064 0 40 KEAB Cn1c(CCC(=O)N2CCC3(CC2)C[C@@](C)(O)[C@H](n2ccc(N)nc2=O)CO3)nc2cc(Cl)ccc21 257226067 FIZTVYNPTPOXNK-NTKDMRAZSA-N 515.014 2.072 0 40 KEAB CC(C)c1nc2ccccc2n1CCCC(=O)N1C[C@@H](O)C[C@@](C)(O)[C@H](n2cnc3c(N)ncnc32)C1 257261545 LHUHXGQEUQJCPY-ADLZZSLISA-N 506.611 2.247 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cccn3)c2)C[C@](O)(COc2ccc(C)cc2)C1 585275072 VOVMEBCBLIKBJN-GDLZYMKVSA-N 538.645 2.380 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC(C)(C)C)c3ccc(OC)c(OC)c3)n2)cc1OC 6074322 BOHJWNRXCUNBFG-UHFFFAOYSA-N 512.567 2.322 0 40 KEAB O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccn2)CC1)Nc1ccc(Oc2ccccc2)cc1 20101165 YBQHQELCTIFHTA-VWLOTQADSA-N 528.613 2.352 0 40 KEAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@@H](C)C(=O)O)C(=O)[C@H]23)cc1OC 100872250 YIGVFLRPDVBPHC-YAUFSGIZSA-N 516.597 2.400 0 40 KEAB CCCCCN(C(=O)CCC(=O)OCC(=O)Nc1ccc2c(c1)OCO2)c1c(N)n(CCCC)c(=O)[nH]c1=O 103071241 IJZFNNXXRVBRMF-UHFFFAOYSA-N 545.593 2.133 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 223180740 FSHDRVMURINCDU-UHFFFAOYSA-N 581.713 2.471 0 40 KEAB COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(Cl)c(F)c4)C[C@H]3C(=O)NC[C@H]1O2 253398374 HDNJCRPXCCRSEP-IUWRHVCYSA-N 603.091 2.383 0 40 KEAB C[C@@]1(O)CC2(CCN(C(=O)CCCc3nc4ccccc4[nH]3)CC2)OC[C@H]1n1cnc2c(N)ncnc21 257336513 YOUOBQLZIJSYMA-KBMIEXCESA-N 504.595 2.381 0 40 KEAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC1=O 643566245 VULZXOARAWCMNK-DHLKQENFSA-N 540.636 2.448 0 40 KEAB COc1cc(C(=O)NC(=S)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc(OC)c1OC 12651311 WRNUQTCWESRNPP-UHFFFAOYSA-N 509.606 2.169 0 40 KEAB COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2ccco2)cc1 38145772 FJIKHOBPJRMCOQ-RLWLMLJZSA-N 567.620 2.498 0 40 KEAB Cc1oc2cc(OCC(=O)N3CCC[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)NC(=O)CN)ccc2c(=O)c1-c1ccc(F)cc1 70665435 YYDNTRUSBQCYPN-DNQXCXABSA-N 594.640 2.410 0 40 KEAB biogenic CCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CCC 83921002 GYANSQKXOLFAFP-IRSNHEQCSA-N 506.552 2.454 0 40 KEAB biogenic,in-vitro COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]54)[C@H]23)ccc1O 245238662 YAIVYBNOQIIQME-VNTUNHTNSA-N 502.570 2.099 0 40 KEAB CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1[C@]3(C)CC[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C 257536876 RWXIFXNRCLMQCD-QEUXTREOSA-N 785.025 2.149 0 40 KEAB endogenous,in-man CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(N5CCN(C)CC5)o4)c(=O)n32)cc1OCC 408937645 HCCSQLDLBCULRE-ZDQFFALBSA-N 552.653 2.160 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409162939 JSFLZGHKWPOKPY-RBXKPUFLSA-N 607.685 2.053 0 40 KEAB COc1cccc(CCNC(=O)[C@@H]2CCC(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)c1 643571525 CISUHMDMPPBEFK-FMYROPPKSA-N 649.789 2.305 0 40 KEAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C(N)=O)C1 4177845 NCYUVMZWXFFWRG-UHFFFAOYSA-N 506.606 2.398 0 40 KEAB COc1cc2cc(CN(CCCN3CCOCC3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2cc1OC 19941024 OLIXPTGOIFOVFL-HXUWFJFHSA-N 504.653 2.123 0 40 KEAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCC(=O)O)C(=O)[C@H]45)[C@H]23)cc(OC)c1O 101174964 ROLCDTGTILUQPA-ZTNVCGQWSA-N 532.596 2.107 0 40 KEAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCCN(C[C@@H](O)COc2ccc(C(C)=O)cc2OC)CC1 222191275 XQBHOCOOEORSOP-JWQCQUIFSA-N 544.645 2.296 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1 222563866 MYFYTNBPTXGQOT-NRFANRHFSA-N 507.678 2.416 0 40 KEAB C[C@H](C(=O)NCCCO)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222720109 UQUKYWTYVWOPTN-OAQYLSRUSA-N 501.649 2.320 0 40 KEAB COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1 408612003 XVLNTGYKNGHHSL-UHFFFAOYSA-N 510.012 2.097 0 40 KEAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 409367136 GUAKZWQBLKWGEG-OAHLLOKOSA-N 510.410 2.189 0 40 KEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1I 409410719 OTYSYGKUDGDCCV-UHFFFAOYSA-N 538.385 2.122 0 40 KEAB COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC 643567406 GJRPIAVFHVHXFB-SVBPBHIXSA-N 632.714 2.225 0 40 KEAB CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CCC(=O)NC(C)(C)C(=O)N1 643571339 HEFMKBIDZJYMMK-SVBPBHIXSA-N 607.752 2.142 0 40 KEAB CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O 4091785 PFBLKVNVZYAFHC-YTCPBCGMSA-N 661.756 2.249 0 40 KEAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Br)cc1 60060582 NWBFBYWIUVIASQ-UHFFFAOYSA-N 540.421 2.445 0 40 KEAB COc1cc(C(=O)NC(=S)NC[C@@H](C)NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 102928486 XAIKVCCLEDPUES-CYBMUJFWSA-N 580.685 2.036 0 40 KEAB O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4cccs4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1 253395952 CULBTGKLWKGJQO-RBYFDUNASA-N 596.750 2.432 0 40 KEAB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(OCC(=O)N4CCOCC4)c(Br)c3)C2=O)cc1 409375115 FUZQQJAACVDMKP-MOSHPQCFSA-N 573.400 2.227 0 40 KEAB CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NC[C@@H]2CCCN2CC)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O 643564604 VDXINMLHJJORJA-LIJBKNAFSA-N 557.736 2.230 0 40 KEAB Cc1csc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)n1 643568950 HBBUCCFFDGJHLW-RDPSFJRHSA-N 543.690 2.071 0 40 KEAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)N(C)CCOc2ccccc2)NC(=O)c2ccccc2OCCN(C)C1=O 643578629 BBGCIGRKFYGRCV-ZEQRLZLVSA-N 538.645 2.094 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3ccnc3)c2)C[C@](O)(COc2ccc(C)cc2)C1 2037932398 AWEMANJQPLTAHV-GDLZYMKVSA-N 538.645 2.380 0 40 KEAB COc1ccc(-c2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2C2CCCCC2)cc1OC 3314782 LWRXIVYRLKQXDO-UHFFFAOYSA-N 514.608 2.422 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1 6546994 PTQONIRVWVBJOG-FQEVSTJZSA-N 513.551 2.339 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N 6601623 CPTOJZOMHKOURF-HXUWFJFHSA-N 545.643 2.347 0 40 KEAB CCN(CC)c1ccc(C(=O)NC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2-n2cncn2)cc1 8687910 JKOSIHTZIUJVLE-UHFFFAOYSA-N 543.675 2.261 0 40 KEAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 12541334 BAYZIQODOVGYCN-TYUXRXASSA-N 500.411 2.417 0 40 KEAB CCOc1ccc(OCCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 32910350 ACQTVIWLIUORHT-UHFFFAOYSA-N 522.576 2.066 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(S(=O)(=O)NC(C)C)ccc3OC)C2)cc1 38754951 ZEDPVBRSPUXZMX-KRWDZBQOSA-N 525.649 2.430 0 40 KEAB CCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 67338034 ZQSARKZLFQUFRW-UHFFFAOYSA-N 509.076 2.153 0 40 KEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222555328 NYPQGJMNAKHFCX-UHFFFAOYSA-N 508.549 2.447 0 40 KEAB Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 222669288 JENMAASFDYPICX-UHFFFAOYSA-N 531.656 2.289 0 40 KEAB CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C(=O)N1CCOCC1 224395647 GAHCHSHWWWVINZ-UHFFFAOYSA-N 583.754 2.413 0 40 KEAB COc1ccc(CNS(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccc(OC)cc4)n3)cc2)cc1 882710 OOIKHNOFCDBMJA-UHFFFAOYSA-N 508.560 2.475 0 40 KEAB COC(=O)C1=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 1838921 KWNSCVMYLYVJOF-ICBIFTLVSA-N 590.679 2.436 0 40 KEAB O=C(COC(=O)CCNC1=NS(=O)(=O)c2ccccc21)/N=c1\sccn1Cc1ccccc1Cl 13126041 GOAVSYHLLIFBHZ-LVWGJNHUSA-N 519.004 2.351 0 40 KEAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c2)cc1 20032718 RRUAGQWHOAZGTH-UHFFFAOYSA-N 503.602 2.447 0 40 KEAB COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 108449759 WRFAQYGEBZRJJL-QHCPKHFHSA-N 610.689 2.239 0 40 KEAB biogenic C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(N)=O 150362849 JFMKMZZAVDKJAH-QFGZHHBCSA-N 770.891 2.397 0 40 KEAB CCN(CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 226076763 OWNOBUIOJYMQKI-UHFFFAOYSA-N 523.677 2.158 0 40 KEAB COc1c2c(c(S(=O)(=O)N3CCN(C(=O)c4ccc(OC(C)C)cc4)CC3)c3c1OCO3)CCN(C)C2 524730111 WCKQNIKOOODVRP-UHFFFAOYSA-N 531.631 2.346 0 40 KEAB biogenic COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccccc2)C1 585280672 QVLNZPSJFBJICF-LJAQVGFWSA-N 538.645 2.380 0 40 KEAB Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)n1 643575494 GTJMVUHZDSZPHZ-NCZODNFJSA-N 676.840 2.456 0 40 KEAB COc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(N)=O)N(C(=O)c3cccn3C)C2)cc1 4200877 CWQWUXVVUBGMBW-KHMOSXFSSA-N 571.638 2.133 0 40 KEAB biogenic,in-vitro COc1ccc(NC(=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc2ccc(OC)cc2)cc1 8429861 SOAYYDUFICWSIT-CQJMVLFOSA-N 588.566 2.008 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)n4cc(Cl)c(C)n4)[C@H]3SC2)s1 9974934 OMERHHWMZXXOBP-YYDSMBMDSA-N 515.042 2.097 0 40 KEAB CC(=O)N[C@H](Cc1cccn1C)C(=O)NC1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn23)CC1 13564870 JQZOPXDVDVNFSS-RUZDIDTESA-N 514.634 2.194 0 40 KEAB Cc1ccc([C@H](c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCN(c3ncccn3)CC2)cc1 20150851 YKSUKAWELXYLER-HSZRJFAPSA-N 504.620 2.423 0 40 KEAB COC(=O)[C@H](CCSC)NC(=O)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 46086333 DKHYIOGLUCEIDY-GOTSBHOMSA-N 529.659 2.344 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)n4nc(C)c(Cl)c4C)[C@H]3SC2)s1 97945476 GJSFKTMPTNFHKN-SIXIKZCJSA-N 529.069 2.405 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 225020018 HGEMQCRRXVDTFI-GOSISDBHSA-N 521.636 2.422 0 40 KEAB Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)COc2ccccc2C(=O)N1 643571445 ANWIIXXXADJLKG-GFLPGQDNSA-N 717.868 2.089 0 40 KEAB NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)c1N 6444814 BKZVJAIBMGXQND-XLIONFOSSA-N 512.567 2.037 0 40 KEAB COC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)n1 14016419 WHSFGFUFDUNXKC-GJZGRUSLSA-N 509.606 2.321 0 40 KEAB COCCN(C(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 72137888 QJBCZNZGQJAFLE-UHFFFAOYSA-N 544.992 2.201 0 40 KEAB CCN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)[C@H]1CCS(=O)(=O)C1 103085777 BAWRTWFBSVHEAT-SFHVURJKSA-N 541.047 2.284 0 40 KEAB C[C@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4C=CC4=C6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@@]45C)C3(C)C)O[C@@H](C(=O)O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 253500793 LXAMCLNOVGHDMD-COZPUDTRSA-N 895.093 2.291 0 40 KEAB biogenic,in-vitro C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 263583583 LTMHDMANZUZIPE-UTRQSOOCSA-N 780.949 2.218 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409039636 XAJUFTMRCQMKLZ-AOLPSBPOSA-N 580.615 2.447 0 40 KEAB COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(C)o1 12714984 ZTVDLKHEEAFKBF-VBKZILBWSA-N 513.576 2.418 0 40 KEAB CCOC(=O)[C@@H]1C(c2ccc(OC)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F 13408063 VHFJTWKDAGBIQF-BXTCMNFTSA-N 503.392 2.242 0 40 KEAB C[C@@H](Cn1cccn1)N(CC(=O)N(C)C[C@@H]1COc2ccccc2O1)CC(=O)N(C)C[C@@H]1COc2ccccc2O1 102758071 BFCRPOMEGTXNOB-RBZQAINGSA-N 563.655 2.170 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3F)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 103692745 YKEMJYWTAXGIRJ-IEAFHPEVSA-N 576.526 2.419 0 40 KEAB COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1 224436062 INOFWEXSHDIGCI-UHFFFAOYSA-N 589.692 2.107 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NCC(C)C)cc1 260863303 BRMKICJDHHJDGP-HXUWFJFHSA-N 504.653 2.498 0 40 KEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C(=O)N1CCOCC1 408693068 FHQMMFIPLNMDCF-UHFFFAOYSA-N 538.629 2.226 0 40 KEAB COc1cccc(S(=O)(=O)N2CCO[C@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)c1 2037905323 GSWGKUWDWJUISU-RUZDIDTESA-N 538.066 2.351 0 40 KEAB Cc1ccc(Br)cc1C(c1cc(Br)ccc1C)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 4962280 JHNGLZSPOIVTES-AFYVEPGGSA-N 504.215 2.396 0 40 KEAB CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCOC)c2ccc(C)o2)cc1 6600988 PIWYLWUSDOBTEP-IBGZPJMESA-N 501.565 2.275 0 40 KEAB Cc1c2c(=O)n(-c3nc4ccccc4s3)n(CC(=O)Nc3ccccc3)c2cc(=O)n1N1CCOCC1 16957344 YBHWDBRPWAPKGJ-UHFFFAOYSA-N 516.583 2.479 0 40 KEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 20031442 AHYMTLANFSPAFG-OAHLLOKOSA-N 516.041 2.116 0 40 KEAB COC(=O)C[C@](O)(CCC(C)(C)O)C(=O)O[C@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4 35395343 HAVJATCHLFRDHY-NQPYUKKHSA-N 531.602 2.191 0 40 KEAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1 100876648 LHNKJXHMPXKSHE-BZZOAKBMSA-N 568.699 2.075 0 40 KEAB COC[C@@]12CC[C@@H](OC)[C@]34[C@H]5C[C@@]6(O)[C@@H](OC)C[C@@](OC(C)=O)([C@H]([C@@H](OC)[C@@H]13)[C@@H]4N(C)C2)[C@H]5[C@@H]6OC(=O)c1ccccc1 102964307 REVYTWNGZDPRKE-JBKHVEEGSA-N 599.721 2.316 0 40 KEAB COC(=O)C1=C2[C@]3(O)C[C@@H]4C[C@@H]5[C@@H]3CC[C@@H](C)N5[C@@]24[C@@H]2CC[C@H](O)[C@H](OC)[C@@H]2[C@@H]1OC(=O)c1ccccc1 104329513 QERMOAWMXXPSEU-GRTUFJDKSA-N 523.626 2.474 0 40 KEAB Cc1ccc(CN(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 408617444 BCGUDIOJQGVEIY-UHFFFAOYSA-N 510.454 2.397 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409199608 PKJQMWFGZFEKCY-WPUHHHFCSA-N 565.648 2.460 0 40 KEAB COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)C[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 524729909 NXBMAORGXLXYDN-FDFHNCONSA-N 516.639 2.254 0 40 KEAB biogenic O=C(NN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(NC(=O)c3cccnc3)C4=O)cc2C1=O)c1cccnc1 4065240 BTOVPKITNJTBBY-UHFFFAOYSA-N 548.471 2.151 0 40 KEAB COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O 5260469 DMLKUPXKUQREOC-GHIMHLSJSA-N 575.412 2.186 0 40 KEAB COc1ccc(-c2nc(SCC(=O)Nc3cc(OC)ccc3OC)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 11758140 IVZJPXSSAOJKSN-UHFFFAOYSA-N 523.571 2.451 0 40 KEAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 14358292 DQFIJBVBUUKNLR-UHFFFAOYSA-N 532.663 2.489 0 40 KEAB Cc1cc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCCCN3CCOCC3)cc2c1 19823255 HELMARADLFEDNH-UHFFFAOYSA-N 515.724 2.266 0 40 KEAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1S(=O)(=O)N(C)C 103073678 HLUKCIJHFOFSCW-UHFFFAOYSA-N 542.591 2.418 0 40 KEAB CO[C@@H]1[C@H](O)[C@H](O[C@@H]2CC[C@]3(C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@@H]3C2)O[C@@H](C)[C@H]1O 118917655 SOPZOCCINHAAOP-QJCFDKJZSA-N 550.689 2.081 0 40 KEAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1S(=O)(=O)N1CCOCC1 139672780 PZXLMIWKEFSTCW-QFIPXVFZSA-N 565.714 2.329 0 40 KEAB COc1ccc(N(CCCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)S(C)(=O)=O)cc1 224686022 RXXVDQJGTHJYDH-UHFFFAOYSA-N 538.692 2.125 0 40 KEAB CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)N(C)CCOc2ccccc2)NC(=O)c2ccccc2OCCN(C)C1=O 643580736 SLYJEERPLNWQOZ-LOSJGSFVSA-N 552.672 2.484 0 40 KEAB O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O 9319067 FODDSGRVNHFQND-ZEQRLZLVSA-N 512.522 2.473 0 40 KEAB biogenic NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N 12473351 CQOMPQLLTKZIAZ-HNAYVOBHSA-N 501.540 2.235 0 40 KEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1 13636515 FNHBVLQCEXEAME-OAQYLSRUSA-N 521.515 2.322 0 40 KEAB COc1cc(OC)c(S(=O)(=O)Nc2ccc(NC(=O)CCN3CCOCC3)cc2)cc1NC(C)=O 20109317 FGEVRMWSNQIBPT-UHFFFAOYSA-N 506.581 2.124 0 40 KEAB COc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)ccc1O 100336303 QSKMWBYMXLCUEV-LGGPFLRQSA-N 613.635 2.200 0 40 KEAB CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 103054159 YHTZXXJUOJHXBJ-SFHVURJKSA-N 528.583 2.074 0 40 KEAB COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 150398130 MKWWCDNXUXCHJM-LJQANCHMSA-N 638.772 2.378 0 40 KEAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 222779380 FLSDIGZOCPCBCK-YKSBVNFPSA-N 580.103 2.452 0 40 KEAB CC(C)=CCC[C@@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C 253529807 SWIROVJVGRGSPO-CZIWJLDFSA-N 785.025 2.149 0 40 KEAB biogenic,in-vitro CC(C)N1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(C(C)C)CCN4C(=O)c4ccccc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]2C1)O4)O3 514287362 HTBZWDWQXJPTAZ-SCIXUSQWSA-N 863.066 2.057 0 40 KEAB O=C1N[C@H](C(=O)NCCc2ccccc2F)CC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc21 643576649 ZKSHKVKMDVBTRO-DTXPUJKBSA-N 657.743 2.290 0 40 KEAB C[C@H](N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O 2060999647 WLEIRCQWNYWCPZ-RFFNQXDJSA-N 746.913 2.250 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1 6822061 BDYMOUQEYXBHNV-FQEVSTJZSA-N 513.576 2.355 0 40 KEAB O=C(CN1CCN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 12641356 SERKJRBCXVADCI-HZPDHXFCSA-N 512.916 2.393 0 40 KEAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](CC(N)=O)N[C@@]23C(=O)Nc2ccc(Br)cc23)c1 15972636 SQWAPGHVFYOHHN-FIKRCHLTSA-N 503.353 2.106 0 40 KEAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20032714 ZDIVXQBLCQKTGZ-UHFFFAOYSA-N 523.677 2.409 0 40 KEAB NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1 32806452 LRKSQSVZHOKSFQ-UHFFFAOYSA-N 509.613 2.455 0 40 KEAB O=C(c1ccc(F)cc1)N1CCCC[C@@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1=O 34854025 NEYPWXJUPOGDTA-OAQYLSRUSA-N 517.579 2.125 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1Cl 59838613 IQDNLSNARCPRFQ-LJQANCHMSA-N 572.105 2.087 0 40 KEAB O=C(CCCN1CCC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 77293241 ZFNLYKVTHNLKNZ-AMWBNRJOSA-N 551.995 2.342 0 40 KEAB world COc1cc(C(=O)N[C@@H](C)[C@@H]2COc3ccccc3O2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 85867645 ZHZATSUJZMAMLO-BRTRGEQZSA-N 659.641 2.115 0 40 KEAB biogenic CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Br)c3C3CC3)[C@H]2SC1 97948566 CPXOKHOGWXQWHX-RDRVIFMDSA-N 581.367 2.405 0 40 KEAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@H]1c1cnn(C)c1C 102001983 TUDBPIPZZMQEMA-WBNHJWIASA-N 534.379 2.055 0 40 KEAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O 103142105 DBADHXTWZFBDPK-QFIPXVFZSA-N 541.413 2.420 0 40 KEAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 222794929 QMFBSEOEWREJRH-UHFFFAOYSA-N 501.605 2.198 0 40 KEAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 225033334 ODUYAMSLAUXRNY-GOSISDBHSA-N 508.616 2.391 0 40 KEAB COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cccn3)c2)C[C@@](O)(COc2ccccc2)C1 585274186 XGVCKQMRMWIJCE-NDEPHWFRSA-N 524.618 2.071 0 40 KEAB Cc1nc(C)n(CCC(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)n1 585287527 YLRZFOCFHSOGLJ-SANMLTNESA-N 533.073 2.088 0 40 KEAB CC(C)C[C@H]1NC(=O)C2(CC=CC[C@@H]3COCC[C@@H]3NC1=O)CCN(CC(=O)N1CCCCC1)CC2 2037879826 RWDXMWWMMZYULZ-TZRRMPRUSA-N 502.700 2.483 0 40 KEAB COC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@H]2CCCO2)c1 1222151 DTGGVOSBBLATPL-LJQANCHMSA-N 514.556 2.456 0 40 KEAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(F)cc4F)o3)[C@H]2SC1 9431599 DOFPZHNBLIUWEV-DYESRHJHSA-N 508.455 2.052 0 40 KEAB COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(O)cc1 12474052 KTYKMUFIXXHDDE-HRAATJIYSA-N 525.587 2.222 0 40 KEAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 59853435 LFDGXDDSYVKOJO-INIZCTEOSA-N 532.600 2.447 0 40 KEAB COc1ccc2c(C)c(CC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2c1 70705544 QOZRBVYWVSZNMC-GJZUVCINSA-N 586.041 2.375 0 40 KEAB biogenic CCOC(=O)/C=c1\s/c(=C/c2ccc3cc(OC)ccc3c2)c(=O)n1CC(=O)NCc1ccc2c(c1)OCO2 73417971 MUBLPUKJJKBVGY-SUYYGPINSA-N 546.601 2.289 0 40 KEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)N1CCC(C)CC1 112236888 ZPBKCQLEFOXXPR-UHFFFAOYSA-N 537.660 2.389 0 40 KEAB Cc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1C 224225030 HSACTWIGTZNMHQ-UHFFFAOYSA-N 511.666 2.295 0 40 KEAB CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccncc2)NC(=O)c2ccccc2OC[C@H](C(C)C)NC1=O 643565399 YNNLVJBCKAVBFI-ISJGIBHGSA-N 551.688 2.383 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 12877213 QARONGWDQTZCCJ-INIZCTEOSA-N 503.577 2.489 0 40 KEAB CCn1c(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)nc2cc3c(cc2c1=O)OCCO3 28555663 CKPHAGXJVAISTJ-UHFFFAOYSA-N 510.547 2.176 0 40 KEAB NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4cccs4)C(=O)N23)cc1 29749104 KMWWANYCBSQEIA-JOCHJYFZSA-N 610.743 2.153 0 40 KEAB CC(C)OCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 223043968 FVNYQZQPIZNLAP-DEOSSOPVSA-N 503.665 2.449 0 40 KEAB O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(Cc4cccs4)C[C@@H]13)CC[C@H]2n1cc(CN2CCOCC2)nn1 253397094 FJCCCCQCGARXBJ-BJBOMGFNSA-N 635.791 2.186 0 40 KEAB O=C(C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 408694742 MBSLSDXVHBLNSH-UHFFFAOYSA-N 503.596 2.441 0 40 KEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 408714460 REGKPHVKBLSQPW-UHFFFAOYSA-N 535.688 2.321 0 40 KEAB COc1cc(C)ccc1OCCNC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1 643578926 JVIOZZARFDRKGY-GOTSBHOMSA-N 568.671 2.069 0 40 KEAB Cc1c(C(=O)N2Cc3cn(nn3)CC(=O)NCCOc3ccccc3C2)nnn1-c1ccc(Cl)cc1 643589480 UXMATYGMNHXYNO-UHFFFAOYSA-N 506.954 2.172 0 40 KEAB O=C1N[C@H]2CCN(C(=O)c3cnco3)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1 2037850075 QBYMIXDZFSCOPM-XPWALMASSA-N 506.603 2.496 0 40 KEAB Cc1c(CCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)O)c(=O)oc2c(C)c(O)ccc12 11865551 FBADLCOYTSJECJ-OAQYLSRUSA-N 505.527 2.458 0 40 KEAB biogenic Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)CC2)cc1 13612626 FETYCDNPIOIFAQ-UHFFFAOYSA-N 500.042 2.256 0 40 KEAB Cc1ccc(-c2nn(CC(=O)N3CCN(C)CC3)c(=O)c3ccccc23)cc1S(=O)(=O)N1CCCCC1 20150075 XGWBQMRNZFHHMG-UHFFFAOYSA-N 523.659 2.321 0 40 KEAB COc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCN(c4ccccc4)CC2)N3C)cc1 35442438 JEYGBCOQWUYMJV-YIOBJHAYSA-N 505.663 2.197 0 40 KEAB biogenic,in-vitro COC(=O)c1cc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[nH]c(=O)c32)cc(C(=O)OC)c1 40400045 TXCGMUZVPCWMBE-HNNXBMFYSA-N 521.486 2.160 0 40 KEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)C1=O 103053485 GJNWJCNUZQPWJD-MUUNZHRXSA-N 532.601 2.013 0 40 KEAB COCCOC(=O)N1CCN(S(=O)(=O)c2cc(F)c(Oc3ccc(Cl)cc3)c(F)c2)[C@H](C(=O)NO)C1 114845585 PRIJGYZAOBNIPH-SFHVURJKSA-N 549.936 2.374 0 40 KEAB CC[C@H](C)[C@H](NC(=O)CN1CCOCCOCCN(CC(=O)N[C@@H](C(=O)OC(C)(C)C)[C@@H](C)CC)CCOCCOCC1)C(=O)OC(C)(C)C 150471677 GIFHUXADCDHOSA-IQXRZRKZSA-N 716.958 2.416 0 40 KEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Oc2ccccc2)cc1 224443490 ORNCJINJSVSUOR-UHFFFAOYSA-N 589.692 2.461 0 40 KEAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 225483553 GIXPERGYSJBWGX-OAHLLOKOSA-N 512.426 2.387 0 40 KEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1OC 408556957 FMUZJDBLFOGYAB-HXUWFJFHSA-N 531.631 2.178 0 40 KEAB COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1OC 885975 MKHDMTUWFJLEMR-NDEPHWFRSA-N 595.676 2.457 0 40 KEAB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](CCSC)C(=O)O)CC1 9185372 IRPTXTYJPUGQSW-QMMLZNLJSA-N 527.709 2.249 0 40 KEAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@H]23)ccc1O 100922188 KIZHCISLNFIAEA-CIYYCHBZSA-N 516.597 2.489 0 40 KEAB C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 224368433 SRMUHASNIGMWPJ-IBGZPJMESA-N 509.650 2.211 0 40 KEAB COc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 260779535 ZIFFREDURJQBIZ-GOSISDBHSA-N 519.620 2.174 0 40 KEAB COC[C@](C)(COP(=O)(N1CCOCC1)N1CCOCC1)C[C@H](C)COP(=O)(N1CCOCC1)N1CCOCC1 4429752 DLRXYJYQUONZDQ-LOSJGSFVSA-N 612.642 2.244 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 6601365 BARYIINYZPHIJR-QFIPXVFZSA-N 555.613 2.299 0 40 KEAB CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCOC)c1ccc(O)cc1 6631408 IWYOFEVMLIBUKZ-FQEVSTJZSA-N 513.576 2.079 0 40 KEAB C[C@@H](CSc1nnnn1-c1ccccc1)Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 9243832 JLVNJYFXOCIDLX-QGZVFWFLSA-N 517.619 2.464 0 40 KEAB COc1ccc(CCNCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1OC 12564038 GQBJEUVSXGJSHX-UHFFFAOYSA-N 532.663 2.096 0 40 KEAB CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)O)C(C)C 15959677 TUYUARLXNQWHBX-DWJNZPNVSA-N 522.602 2.230 0 40 KEAB biogenic COC(=O)C1=C(N)C(C(=O)OC)=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 20459065 OAZHBBFBSZYWAP-MBNYPGIVSA-N 517.390 2.358 0 40 KEAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22252932 NBHWJYCEEJHXLH-UHFFFAOYSA-N 505.593 2.176 0 40 KEAB CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 224333856 WOCUAFFRIVRVOR-NRFANRHFSA-N 527.640 2.350 0 40 KEAB CNCC(=O)Nc1ccc(Cl)cc1OCCc1cc([C@H]2CCN(C(=O)c3ccc(N)nc3)C2)nn1C 257250804 JOBRATOZYYZGTH-KRWDZBQOSA-N 512.014 2.460 0 40 KEAB CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 408703635 VCNMCGGULKODFI-SFHVURJKSA-N 503.577 2.161 0 40 KEAB CN(C)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Br 514383970 ILBPADNGNHVZLJ-CYBMUJFWSA-N 518.293 2.341 0 40 KEAB CC(C)CN(C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@H]12)S(=O)(=O)c1ccc(N)cc1 669678981 CJBJHOAVZSMMDJ-RTJMFUJLSA-N 547.674 2.375 0 40 KEAB in-vitro CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(=O)[nH]c1=O 15925003 GSFJFZZADIYSLJ-QGZVFWFLSA-N 513.595 2.122 0 40 KEAB CN(Cc1ccccc1)C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 16188576 PRGYANDOSGPWMB-XMMPIXPASA-N 513.641 2.409 0 40 KEAB CCOC(=O)CC[C@H](NC(=O)CCCCCCCC(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC 17307465 WMIZMOTUQDMONP-OYRHEFFESA-N 558.669 2.500 0 40 KEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc2c(c1)OCO2 20457118 FKUCGWWSYBMWPV-UHFFFAOYSA-N 518.573 2.406 0 40 KEAB COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccco2)c1 38145775 WYEGINAKLHNBAR-LVXARBLLSA-N 567.620 2.498 0 40 KEAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 59838862 IAAJCEOELYZQMQ-FQEVSTJZSA-N 586.132 2.477 0 40 KEAB Cc1ccc(N2CCN(C(=O)CN3N=C(c4nc(-c5ccc6c(c5)OCO6)no4)CCC3=O)CC2)cc1 72329755 PUPMIAKNBNLYLQ-UHFFFAOYSA-N 502.531 2.449 0 40 KEAB Cc1ccc(C)c(Cn2nnc3c(O)nc(C4CCN(S(=O)(=O)c5ccc(S(=O)(=O)N6CCOCC6)cc5)CC4)nc32)c1 100445856 BEESZPRNOGHHHO-UHFFFAOYSA-N 627.749 2.181 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 222955172 FIDXNQORMSXHNH-UHFFFAOYSA-N 523.618 2.384 0 40 KEAB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cn(CC(=O)NC[C@H]2CCCO2)c2ccc(Br)cc12 409123721 HRRILXULHNGYTC-VCDYGYSOSA-N 549.447 2.272 0 40 KEAB COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(=O)O)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1OC 2131475 FLMSSJXAFALJRO-OZLNXOMTSA-N 541.988 2.494 0 40 KEAB biogenic COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CCN(C(C)=O)C2 3007259 FQYRACCDNZWYIO-GJZGRUSLSA-N 535.644 2.490 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1 6546832 OZDNGSDCDWCGMW-OAQYLSRUSA-N 555.613 2.217 0 40 KEAB CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 12653393 VYBNFAIXPSLVAA-HSZRJFAPSA-N 512.010 2.020 0 40 KEAB Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2C(=O)OCC(=O)NCCN2C(=O)CSC2=O)c1 16043954 XYDGSIWCOQLLBM-UHFFFAOYSA-N 506.558 2.040 0 40 KEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 20674959 AXKDDJIESWOIOE-DHIUTWEWSA-N 526.590 2.249 0 40 KEAB CCc1nc2ccccc2n1CC(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 38140773 YKEGFQUVZOQFFB-UHFFFAOYSA-N 532.601 2.312 0 40 KEAB COc1cccc(N2CCN(C(=O)CN3N=C(c4nc(-c5ccc6c(c5)OCO6)no4)CCC3=O)CC2)c1 72329739 PLNSWLBIFLHWFT-UHFFFAOYSA-N 518.530 2.149 0 40 KEAB C[C@H](CC(=O)[C@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@](C)(C(=O)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@@H](O)C[C@@H](O)[C@@]4(C)[C@@H]3CC[C@@]12C 253623428 NIINJHJECORGKU-CWOIETADSA-N 666.849 2.099 0 40 KEAB biogenic,in-vitro O=C1CN(CCCOc2ccc(CN3CCOC[C@@](O)(COc4ccc(Cl)cc4)C3)cc2)C(=O)N1 585274653 YADUGKPBDCXYAQ-RUZDIDTESA-N 503.983 2.303 0 40 KEAB CC(=O)N1CCC(C(=O)N2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)CC1 2037884925 IYVHRIFDVJVCBS-OZNIXHKMSA-N 564.727 2.453 0 40 KEAB C[C@@H](CC(=O)[C@@H](O)C(C)(C)O)[C@@H]1C(=O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O[C@H]5OC[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]45C[C@@]35[C@H](O)C[C@@]12C 2061000989 SUNYLGIAMKNXMN-QQQMXGFKSA-N 634.807 2.047 0 40 KEAB CCOC(=O)[C@](NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)C(F)(F)F 5729444 YGQANBCTQPYFME-GOSISDBHSA-N 505.475 2.046 0 40 KEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc3ncccn3)cc1)C2=O 12520838 PMAAAUKCNXZIJF-CMJOXMDJSA-N 500.581 2.353 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 60060956 VWTGTOXLSSSBIZ-MRXNPFEDSA-N 539.632 2.044 0 40 KEAB O=c1cc(CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)nc2sc(-c3ccccc3)nn12 102349843 YKFQIJGPZNICEM-UHFFFAOYSA-N 525.641 2.329 0 40 KEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 216472564 QNWBMMRPLQKCJJ-UHFFFAOYSA-N 509.606 2.416 0 40 KEAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCCC3)cc1)O2 224324504 SKLDUVIIENXYTM-DEOSSOPVSA-N 565.714 2.491 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224690322 WCSZWCKAOFYEDZ-IBGZPJMESA-N 503.621 2.476 0 40 KEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)C2)cc1 225527166 IYEYIYLCMCXZTN-OAQYLSRUSA-N 534.704 2.279 0 40 KEAB CC(C)CCN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3ccccc3F)cc2OC[C@]2(C[C@H](O)[C@H](O)C2)C1 253408708 YQWFCAZXUXJZIX-BUQBWPEYSA-N 536.666 2.374 0 40 KEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409039334 GGMOJJXGNIQMHN-MVQVQHCTSA-N 537.594 2.144 0 40 KEAB COc1cc([C@@H](CC(=O)NCCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2oc(C)cc(=O)c2O)ccc1O 524732170 ZZXPIQVQUQPHFF-HLAWJBBLSA-N 563.607 2.204 0 40 KEAB biogenic CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)N2CCC(Oc3ccc(F)cc3)CC2)NC(=O)c2ccccc2OCCNC1=O 643564377 ICGSRFJZEQFOEM-SZJUTTIESA-N 568.646 2.424 0 40 KEAB CCS[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(Cl)ncnc21 5665545 FGQYLRHJNNSISP-LNNATVOCSA-N 589.023 2.021 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(CCc1ccccc1C)C(=O)c1snc(C(N)=O)c1N 6546956 AOBHRURZGJIMED-QFIPXVFZSA-N 541.605 2.377 0 40 KEAB CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 6547017 MHYYGOADGSYCKA-FQEVSTJZSA-N 529.550 2.039 0 40 KEAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 8680937 YWAZWPUJLGYJLD-UHFFFAOYSA-N 567.686 2.150 0 40 KEAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(c3cccc(Cl)c3)CC1)n2CCCSc1ncccn1 9192003 WZGRCFBJRCHNEN-UHFFFAOYSA-N 513.027 2.376 0 40 KEAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 97998528 NNWAGEQDNUVUNB-OBBCHVIHSA-N 558.536 2.280 0 40 KEAB Cn1c2c(c(=O)n(C)c1=O)[C@@](NS(=O)(=O)c1ccc(NC(=O)Nc3cccc(Cl)c3)cc1)(C(F)(F)F)C(=O)N2 98043521 GDZKLITWKJHMOC-NRFANRHFSA-N 586.936 2.070 0 40 KEAB COCCN(C(=O)COC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 102715171 NSHDUZNONMWXSP-BXWMAURHSA-N 545.036 2.268 0 40 KEAB CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c2=O)=N1 103903894 YZJUFILMJQRIHA-ITIZVALFSA-N 560.632 2.498 0 40 KEAB O=C(NCCCO)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223293510 PXYQBUIKSFNFGM-LJAQVGFWSA-N 581.691 2.355 0 40 KEAB Cc1cc2nc(CCC(=O)N3CCC4(CC3)C[C@H](n3cnc5c(N)nc(N)nc53)[C@@](C)(O)CO4)[nH]c2cc1C 257299205 RPCWJLFVXIYODD-SIBVEZHUSA-N 533.637 2.190 0 40 KEAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 514300105 SVAZHMDDWYWBSL-CWJAINNKSA-N 654.701 2.011 0 40 KEAB COc1cc(OC)c([C@@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc1OC 524729195 IEWIZPJHDBIIME-FUHIMQAGSA-N 551.596 2.160 0 40 KEAB biogenic CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1373872 LIHWGEBOARVXBP-UHFFFAOYSA-N 520.546 2.060 0 40 KEAB NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1C(=O)C1CCCCC1 5398078 VFCIZHDFGJYFDW-ZEQRLZLVSA-N 532.707 2.409 0 40 KEAB biogenic,in-vitro CCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1 19818698 SKZOXMNGCJTAHJ-HSZRJFAPSA-N 514.026 2.217 0 40 KEAB COc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1S(=O)(=O)N1CCCCC1 20046777 QTTMQLRJPFKUIL-FQEVSTJZSA-N 509.606 2.036 0 40 KEAB CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)Cc3nnnn3Cc3ccco3)cc2c1 20109443 IOYPRJVALRACAT-UHFFFAOYSA-N 507.595 2.279 0 40 KEAB Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccccc2)s1 97957485 LKNRBVIFUJTSNZ-UHFFFAOYSA-N 572.698 2.338 0 40 KEAB C[C@@H](N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O 150341069 WLEIRCQWNYWCPZ-QVDKUXBFSA-N 746.913 2.250 0 40 KEAB CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@]1(O)[C@H]2OC 169362821 NWBWCXBPKTTZNQ-PKARIDSASA-N 584.710 2.222 0 40 KEAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)C1=O 205694246 BZARAQKZWXGVIJ-NTUHNPAUSA-N 535.312 2.451 0 40 KEAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 224989244 ODZQKBKMMYRHHZ-SFHVURJKSA-N 521.636 2.422 0 40 KEAB CS(=O)(=O)c1ccc(CN2C[C@@H]3C[C@H]2C(=O)NC[C@@H]2CCC[C@@H](CCOc4ccccc4C(=O)N3)O2)cc1 514287689 YOPBKKIAHQTQFN-UEOMBKFZSA-N 541.670 2.299 0 40 KEAB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](c3ccccc3)N3CSC(=S)N(C(C)C)C3)[C@H]2SC1 1631928 AXUHBKPZJHTHPF-XAUMDUMWSA-N 506.675 2.445 0 40 KEAB Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](C)n4cc(Br)c(C)n4)[C@H]3SC2)s1 2788092 IZZUBCBIORHPDT-JVAXNHSRSA-N 559.493 2.206 0 40 KEAB CCOC(=O)CNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1OC 6546805 DIDXIILWULSJDK-HXUWFJFHSA-N 529.575 2.110 0 40 KEAB O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 10256485 FYPGLKNWXVEDCA-LJQANCHMSA-N 500.538 2.110 0 40 KEAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 19941308 IBMHLTYGHNAFLR-CVDCTZTESA-N 503.563 2.142 0 40 KEAB COc1ccc([C@H](CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)N2CCOCC2)cc1 32969180 YHTAWLDNQYMTJE-NRFANRHFSA-N 526.453 2.316 0 40 KEAB CSC[C@@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C 52781200 NJBBLOIWMSYVCQ-AQWTWLKTSA-N 667.854 2.366 0 40 KEAB COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(=O)CN(C)S(C)(=O)=O)cc1OC 222817968 NCEGIVXYZPDIAH-KRWDZBQOSA-N 526.055 2.325 0 40 KEAB COc1ccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 225672010 UEXGLQYCTHIUAZ-SFHVURJKSA-N 521.636 2.420 0 40 KEAB O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)N(C1CCNCC1)C2 514287553 KUOMBNJVNBOLDF-USJHEHEUSA-N 548.684 2.086 0 40 KEAB CC(C)C[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN2CCCC2)CC(=O)N1C 643571424 LYHMGDRHPOYEOQ-WJLKJTLYSA-N 642.842 2.078 0 40 KEAB Cc1csc(CCCNC(=O)[C@@H]2CC(=O)NC3(CCCC3)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)n1 643572451 CKWZWBNMTJZEAS-XAJLNHFYSA-N 640.807 2.156 0 40 KEAB Cc1cc(C)n(CCC(=O)N2CC[C@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)c(=O)n1 2037879799 QOLPBYCRHBSMSK-UPRLRBBYSA-N 589.737 2.458 0 40 KEAB