smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(S(=O)(=O)c2nc(C)sc2S(=O)(=O)Cl)cc1 1857800174 MEELWVFAIORPGZ-UHFFFAOYSA-N 351.858 2.520 70 50 FFIA CCc1n[nH]c2c1CN(C(=O)CSc1nc3cc(C)ccc3[nH]1)CC2 218754669 HKMNIZRDSHNRSM-UHFFFAOYSA-N 355.467 2.834 70 50 FFIA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)[C@H](C)Cc1cnccn1 218149831 NDDZTDRWNATROH-OAHLLOKOSA-N 363.465 2.911 70 50 FFIA CCN(CCn1cccn1)C(=O)[C@H](C)N1C(=O)c2cccc3cccc1c23 218046590 JBIQEAHCCVGVHX-HNNXBMFYSA-N 362.433 2.934 70 50 FFIA COc1ccccc1-n1cc(CNC(=O)Cn2nc(C)c(Cl)c2C)cn1 217558445 PWCZBOIIDMKADT-UHFFFAOYSA-N 373.844 2.664 70 50 FFIA CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)Cc1ccccc1F 218628622 ZELHOBHSTVCSNO-UHFFFAOYSA-N 372.440 2.695 70 50 FFIA CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@H]1C(=O)NCCc1ccccn1 218447550 DROHNNUGRVYVRW-LPHOPBHVSA-N 367.474 2.789 70 50 FFIA O=C(c1ccc(Oc2ccccc2)o1)N1CCC(O)(Cn2ccnc2)CC1 218510266 FLVIMEALKSVQGG-UHFFFAOYSA-N 367.405 2.936 70 50 FFIA Cc1cc(C)c2c(CC(=O)N3CCCn4nc(CO)cc4C3)coc2c1 217165108 STMXSYACBRTRLG-UHFFFAOYSA-N 353.422 2.713 70 50 FFIA CNC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)n2)c(Cl)c1 160334324 GUCUZKXVTFBFOL-UHFFFAOYSA-N 355.785 2.533 70 50 FFIA CC[C@@H](C)[C@@H](CO)NC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O 217897419 OVXQJNUHMOYMSN-YSGRDPCXSA-N 366.461 2.907 70 50 FFIA Nc1nccc(C2CCN(C(=O)CCCN3Cc4ccccc4C3)CC2)n1 217511759 VOPOURMUIDZLDE-UHFFFAOYSA-N 365.481 2.561 70 50 FFIA CC(C)(C)OC(=O)N1[C@@H]2C=C(OS(=O)(=O)C(F)(F)F)C[C@H]1CC2 100007424 CJDKVEWDWXIBSM-DTWKUNHWSA-N 357.350 2.908 70 50 FFIA Nc1nnc(SCC(=O)N2CC[C@@H](c3ccccc3Cl)C2)s1 216980586 BVPCOIBUEQIAEK-SECBINFHSA-N 354.888 2.882 70 50 FFIA COc1ccc(CCN(Cc2ccccn2)C(=O)[C@@H]2CC[C@H](N)C2)cc1 217014098 XSGHUDFDCLCSQY-MSOLQXFVSA-N 353.466 2.789 70 50 FFIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1c[nH]c2c(F)cccc2c1=O 218514920 YNJBKPRJPFUMCQ-SJORKVTESA-N 374.412 2.537 70 50 FFIA CO[C@@H](C(=O)NC1CCN(C(=O)N2CCCCC2)CC1)c1ccccc1 217200183 MSRYBUIQIRKJPT-GOSISDBHSA-N 359.470 2.561 70 50 FFIA O=C(Nc1cncc(OS(=O)(=O)F)c1)c1cc2ccoc2cc1F 1875387307 BENBUHZAKUVLSM-UHFFFAOYSA-N 354.290 2.812 70 50 FFIA COc1cc2c(cc1OC)[C@@H](c1cccnc1)N(C(=O)c1cnc[nH]1)CC2 217676834 PUADQAJFOCOPIV-LJQANCHMSA-N 364.405 2.610 70 50 FFIA Cc1nn(CCC(=O)NC[C@@H]2CCCN(c3ccccn3)C2)c(C)c1C 218050019 HUANFCQBOZMBHU-SFHVURJKSA-N 355.486 2.626 70 50 FFIA Cc1ccc([C@@H](NC(=O)CCCN2CCOCC2)c2ccncc2)cc1 217646107 HTPYXUUDWBFOHE-OAQYLSRUSA-N 353.466 2.708 70 50 FFIA O=C(CC1(n2cccc2)CCOCC1)Nc1ccc(Cn2cncn2)cc1 218422856 QHKGZCNRNOZLKT-UHFFFAOYSA-N 365.437 2.662 70 50 FFIA COC[C@H](NC(=O)C1(c2ccc(OC)cc2)CCCC1)c1ccnn1C 218560214 XMAFVQQIHXOXIU-KRWDZBQOSA-N 357.454 2.744 70 50 FFIA CCCc1nc(C)cc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccn2)n1 216959183 GGYNERFUVVJQQV-AEFFLSMTSA-N 365.481 2.760 70 50 FFIA O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(S(=O)(=O)F)cc1 864240090 OTMGIQFGQQSCGG-UHFFFAOYSA-N 351.374 2.946 70 50 FFIA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(Cc1ccccc1OCCn1ccnc1)C2 217400818 RPRGFOLSXIWXFU-KXTWHKPSSA-N 354.498 2.734 70 50 FFIA O=C(Cc1cccs1)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 217497311 DLDAAYHCIUMIDW-LJQANCHMSA-N 353.447 2.611 70 50 FFIA C[C@@H](O)c1cc2n(n1)CCCN(Cc1ccccc1Cn1cccn1)C2 217917611 MGISZEWFQBELSI-MRXNPFEDSA-N 351.454 2.587 70 50 FFIA COc1ccc(/C=C/CN2CCN(Cc3ccccc3)C[C@@H](O)C2)cc1 217100719 REQCMMORJPJMFO-FERLCFGISA-N 352.478 2.887 70 50 FFIA CON(C)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 95682173 DGBLSOOPDBHHRX-UHFFFAOYSA-N 363.397 2.803 70 50 FFIA in-vitro Cn1ccnc1[C@H](NC(=O)c1scc2c1OCCO2)c1ccccc1 217784027 MHAHVLKVXAJMMW-CQSZACIVSA-N 355.419 2.772 70 50 FFIA C[C@@H](CCC(=O)N1CCOc2ccc(Cl)cc2C1)N1CCOCC1 218426648 QPZSBRRVWABRGU-AWEZNQCLSA-N 352.862 2.562 70 50 FFIA CN(Cc1cc(-c2ccccc2)on1)C(=O)c1nc2ccccc2c(=O)[nH]1 217864262 GGLAIYAOLCPRFJ-UHFFFAOYSA-N 360.373 2.850 70 50 FFIA O=C(c1ccc(-c2cccc(F)c2)nc1)N1CCC(n2cnnc2)CC1 218259255 CBWBXPRRTFGTQU-UHFFFAOYSA-N 351.385 2.957 70 50 FFIA CC(C)(C)S(=O)(=O)CC(=O)N1CCC(Cc2cccc(F)c2)CC1 160940510 BQJXGONTGUKVHG-UHFFFAOYSA-N 355.475 2.820 70 50 FFIA CC(C)CNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 217832175 ANRXRCXXQUVYAV-LJQANCHMSA-N 363.417 2.574 70 50 FFIA biogenic O=C(c1ccnnc1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 217642039 QOYHGKJUSDLHBT-NRFANRHFSA-N 350.466 2.995 70 50 FFIA Cc1noc(C)c1[C@@H]1CCCN1C(=O)Cn1ccc(=O)c2ccccc21 218542290 LZCRKLBRZDMQEE-KRWDZBQOSA-N 351.406 2.970 70 50 FFIA CC[C@@H](C(=O)NCCc1nc(-c2ccccc2)cs1)N1CCOCC1 218165624 FDEUSSPJNSCFBS-KRWDZBQOSA-N 359.495 2.580 70 50 FFIA O=S(=O)(Cl)c1cccc2c(NCCN3CCOCC3)cccc12 95697867 MOYKMYATZFHCBG-UHFFFAOYSA-N 354.859 2.511 70 50 FFIA O=C(CCCn1cnc2ccccc2c1=O)NCc1nc2ccccc2o1 218674614 ZUCFWIRLERKQSD-UHFFFAOYSA-N 362.389 2.634 70 50 FFIA O=C(NCCc1nc(O)cc(O)n1)c1ccccc1Oc1ccccc1 218214963 FHZHZHSWMNAEGA-UHFFFAOYSA-N 351.362 2.653 70 50 FFIA COc1cccc(C(=O)NCCC(=O)N2CCC[C@H]2c2ccccn2)c1 217820728 PDJRVZFPJWEMME-SFHVURJKSA-N 353.422 2.574 70 50 FFIA O=C(NCCc1cc2ccccc2[nH]1)c1cc(N2CCNC2=O)ccc1F 159707997 PAXAGLRGQWYAOQ-UHFFFAOYSA-N 366.396 2.809 70 50 FFIA COCc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)s1 218429836 DZTKACKOKOITDD-IAGOWNOFSA-N 361.463 2.999 70 50 FFIA Cc1cc(F)ccc1N1CCC(N2CCCn3nc(CO)cc3C2)CC1 217766030 FOQXSHAIIHLKEC-UHFFFAOYSA-N 358.461 2.698 70 50 FFIA COc1ccc(NC(=O)C[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 217634892 KIVRJHIKIDGVKY-OAHLLOKOSA-N 357.362 2.953 70 50 FFIA biogenic CC(C)[C@H]1C(=O)NCCN1Cc1ccccc1OCCN1CCCCC1 218543423 PWPASRKTQWLVAB-FQEVSTJZSA-N 359.514 2.508 70 50 FFIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)c1coc2c1C(=O)CCC2 1875385340 RAISSONXRFIKQI-UHFFFAOYSA-N 353.327 2.644 70 50 FFIA O=C(Cn1cnc2sccc2c1=O)N1CCc2c([nH]c3ccccc23)C1 217928409 IEONSSQGKZBFJW-UHFFFAOYSA-N 364.430 2.524 70 50 FFIA biogenic Cc1ncc(Cl)c(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)n1 218754606 ZYHRWJFZFSPHQX-HZPDHXFCSA-N 361.829 2.543 70 50 FFIA COc1cccc([C@@H]2CCN(C(=O)c3nnc4n3CCCCC4)C2)c1OC 216969456 WNXSKXALSBWCSJ-CQSZACIVSA-N 370.453 2.651 70 50 FFIA CC(=O)N1CCC(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)CC1 218145668 FOCUZYCXQDUOML-IBGZPJMESA-N 355.413 2.685 70 50 FFIA O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1ccc2c(c1)CCCC2 218362472 YFCXIUIRHGPXOS-NRFANRHFSA-N 365.477 2.764 70 50 FFIA COCCc1noc(CN(C)C(=O)c2ccc(N3CCCCC3)cc2)n1 218733426 STICJPMIXDYGCV-UHFFFAOYSA-N 358.442 2.521 70 50 FFIA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)[C@@H](C)Cc1cnccn1 218149744 NDDZTDRWNATROH-HNNXBMFYSA-N 363.465 2.911 70 50 FFIA Cn1ccnc1CN(C(=O)[C@H]1CCCCN1Cc1ccccc1)C1CC1 218269882 RAOWQJSHZORPEP-LJQANCHMSA-N 352.482 2.966 70 50 FFIA CC1=CC[C@H]2CN(C(=O)C3CCN(C(=O)c4ccccn4)CC3)C[C@H]2C1 216744411 MMIOURJFAUIZFS-ZWKOTPCHSA-N 353.466 2.749 70 50 FFIA Cc1nc(NCc2ccc(N3CCCC3=O)cc2)cc(C2CC(O)C2)n1 218490619 KHGVZMMXISVFLJ-UHFFFAOYSA-N 352.438 2.762 70 50 FFIA O=C(Nc1n[nH]c([C@@H]2CCCO2)n1)c1cc(-c2ccc(Cl)cc2)n[nH]1 218305823 IUNHMDPNSQCFJL-ZDUSSCGKSA-N 358.789 2.952 70 50 FFIA CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NC1CCCCCC1 218133077 PMRFBSVAWNJVGK-UHFFFAOYSA-N 363.483 2.852 70 50 FFIA Cc1ccc(S[C@H](C)C(=O)N2CCC(c3nnc(CO)n3C)CC2)cc1 217435674 FRHCYVUFJXNKOD-CQSZACIVSA-N 374.510 2.503 70 50 FFIA O=C(CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCCCC1 161127735 OHZSAKQYHKPZHD-JKSUJKDBSA-N 356.388 2.826 70 50 FFIA O=S(=O)(F)Oc1ccc(CNCc2ccccc2-n2ccnc2)cc1 1875384084 CIYFGJWTPXWJNP-UHFFFAOYSA-N 361.398 2.755 70 50 FFIA C[C@H](NC(=O)c1cnc2ccc(F)cc2c1O)c1nnc2ccccn12 218183955 PMSHYXKXOQMKEN-JTQLQIEISA-N 351.341 2.613 70 50 FFIA O=C(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1OS(=O)(=O)F 1875375734 NPMIXROKAKAATK-UHFFFAOYSA-N 364.329 2.836 70 50 FFIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc2ncccc2c1 217630703 SXVVJFFZVWCUDY-ZDUSSCGKSA-N 364.357 2.541 70 50 FFIA biogenic CNC[C@H]1CCCN1C(=O)/C=C/c1ccc(OCc2cccnc2)cc1 161251702 GEOYIULKTIAMFD-UFUQCMIWSA-N 351.450 2.884 70 50 FFIA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCc2ccccn2)n1 218401632 CLYYRRDXYNCULP-IBGZPJMESA-N 361.449 2.828 70 50 FFIA COc1cc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc2c1OCCO2 217887035 MSVCGNMOLPIYJI-LLVKDONJSA-N 356.330 2.636 70 50 FFIA biogenic CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](c1ccncc1)CC(=O)O2 218076180 YEDWDLRGYCMXGV-GFCCVEGCSA-N 365.341 2.846 70 50 FFIA biogenic Cc1ccc(S[C@@H](C)C(=O)N2CCC(c3nnc(CO)n3C)CC2)cc1 217435594 FRHCYVUFJXNKOD-AWEZNQCLSA-N 374.510 2.503 70 50 FFIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 217712227 PQUSZFWTSBKOOR-TXPKVOOTSA-N 373.472 2.559 70 50 FFIA biogenic Cc1cc(C)nc(NCC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)n1 218229001 PVXPUHRGXFDGIY-UHFFFAOYSA-N 374.872 2.669 70 50 FFIA COc1cccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2ccccn2)c1 217820644 PDJRVZFPJWEMME-GOSISDBHSA-N 353.422 2.574 70 50 FFIA C[C@H](O)c1cc2n(n1)CCCN(Cc1nccn1Cc1ccccc1)C2 217369905 JLGCLDZZFOVBPJ-INIZCTEOSA-N 351.454 2.587 70 50 FFIA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1c(C)n(C)c3ccc(O)cc13)C2 216960830 FGHVTFZCHWDEGD-CABCVRRESA-N 369.465 2.665 70 50 FFIA CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCc1ccccn1 218616919 NQFVRTUDTJAAEM-CRAIPNDOSA-N 353.447 2.746 70 50 FFIA Nc1nc(C2CC(N)C2)cc(N2CCC(Cc3ccc(F)cc3)CC2)n1 218241771 HBNJLWUKLGMXDF-UHFFFAOYSA-N 355.461 2.862 70 50 FFIA Cn1cnnc1SCCNC(=O)[C@@]1(c2ccccc2)CC12CCCC2 217022756 LGDGNCADFNGNHS-IBGZPJMESA-N 356.495 2.926 70 50 FFIA COc1ccc2nc(CCNC(=O)[C@@H](C)Sc3ccccn3)[nH]c2c1 217571354 RSUBOOWTQRJSPJ-GFCCVEGCSA-N 356.451 2.806 70 50 FFIA O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)c1ccccc1C(F)(F)F 159375865 UIPWXQZBZKGAES-GFCCVEGCSA-N 371.384 2.658 70 50 FFIA CN(Cc1ccccc1-n1cccn1)C(=O)CSCCN1CCCC1 218617108 NLSXJVQGILEFMI-UHFFFAOYSA-N 358.511 2.660 70 50 FFIA CC(=O)Nc1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)ccc1F 460092608 MGVWGWWQGFCOMJ-UHFFFAOYSA-N 354.334 2.695 70 50 FFIA O=C(COc1ccc(F)c(Cl)c1)N[C@H]1CCOC2(CCOCC2)C1 218257198 VEIGKOZONKVRNA-LBPRGKRZSA-N 357.809 2.702 70 50 FFIA COc1ccc(Cl)cc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 216884713 QKQLIVAQFOYZAA-HIFRSBDPSA-N 362.857 2.822 70 50 FFIA Cc1c(C(=O)N2CCCn3nc([C@H](C)O)cc3C2)[nH]c2c(F)cccc12 217075958 XIDDFODPKCINLZ-LBPRGKRZSA-N 356.401 2.911 70 50 FFIA COC(=O)[C@H](C)NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 218161873 QZRSTEQCBORGQS-LBPRGKRZSA-N 351.358 2.751 70 50 FFIA CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccc(-c3ccccc3)n1C)C2 218724277 PUFAQDBHHDOYGB-FQEVSTJZSA-N 364.449 2.988 70 50 FFIA O=c1c(NCc2cccc(Cl)c2)c(NCc2ccc3c(c2)OCO3)c1=O 218210452 PEKZMHATBZWSIE-UHFFFAOYSA-N 370.792 2.889 70 50 FFIA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cnc(NCc3ccccc3)nc1)C2 216976678 GMAQJIAYLYCJMD-PMOLBWCYSA-N 351.498 2.861 70 50 FFIA COc1cc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc2c1OCO2 217615706 XAASQVCKARZYEG-GFCCVEGCSA-N 366.325 2.971 70 50 FFIA biogenic CC(C)c1nccn1[C@@H](C)C(=O)NCCc1noc(-c2ccccc2)n1 217514130 TZVBFRIJAGJMNC-AWEZNQCLSA-N 353.426 2.976 70 50 FFIA Cc1noc(C)c1CCC(=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218230595 VIUXCWHTSTVSEG-MYKUNDNFSA-N 370.449 2.787 70 50 FFIA O=C(Cn1ncc2ccccc21)N[C@@H](CCn1cncn1)c1ccccc1 217986287 DZPSHWLSYLZRDL-SFHVURJKSA-N 360.421 2.576 70 50 FFIA Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)Cc3cc(C)[nH]n3)cc2)n1 161187610 NVGROUDELKHAEX-ZDUSSCGKSA-N 351.454 2.941 70 50 FFIA O=C(CN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCCCC1 161127840 OHZSAKQYHKPZHD-CVEARBPZSA-N 356.388 2.826 70 50 FFIA COc1ccc(C(=O)N[C@@H](C)c2nc(C)cs2)cc1N1CCOCC1 217414591 ZCELIEJQCVFLBW-ZDUSSCGKSA-N 361.467 2.788 70 50 FFIA C[C@H](Nc1c(NCc2ccc3c(c2)OCO3)c(=O)c1=O)c1ccccc1 218168110 BVNGEVHQZHHHFU-LBPRGKRZSA-N 350.374 2.797 70 50 FFIA COC(=O)C[C@H](c1ccco1)c1oc(CN2CCCCC2)cc(=O)c1O 217892306 VTBVGVSRBABRAK-CQSZACIVSA-N 361.394 2.619 70 50 FFIA biogenic CC1CCN(CC(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 218736922 YUAFFTXFFODVFK-FQVRHNBASA-N 367.493 2.895 70 50 FFIA COc1cc2c(cc1O)CCN(Cc1ccc(OS(=O)(=O)F)cc1)C2 1875387365 DSQKWDKGYKYDAC-UHFFFAOYSA-N 367.398 2.552 70 50 FFIA COc1ccc2[nH]c(C(=O)N3CCOc4ccc(CO)cc4C3)cc2c1 217006681 SMMSFNDFUVHSOX-UHFFFAOYSA-N 352.390 2.704 70 50 FFIA O=C1CCC(CCC(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)=NN1 217614430 UZOUUZVLXWADAS-UHFFFAOYSA-N 358.829 2.752 70 50 FFIA CCOCCn1nc(C)cc1C(=O)N1CCCC[C@@H]1CCn1cccn1 218015657 RCMPRBPRSIFMKN-QGZVFWFLSA-N 359.474 2.510 70 50 FFIA CC(=O)N1CCC(C(=O)N[C@H](CCn2ccnc2C)c2ccccc2)CC1 218708816 LXKPJGXEBFNNKR-HXUWFJFHSA-N 368.481 2.698 70 50 FFIA O=c1c(CN2CCCCC2)coc(O)c1CN1CCc2ccccc2C1 218111766 NBKGRDAHVXMQQY-UHFFFAOYSA-N 354.450 2.890 70 50 FFIA biogenic Cc1nc(CC2CCN(C(=O)CCn3c(C)nc4ccccc43)CC2)no1 218017228 LXBSTLNNYDKGJA-UHFFFAOYSA-N 367.453 2.908 70 50 FFIA O=C(CCOc1ccc(F)cc1)Nc1ccc(OS(=O)(=O)F)cc1 1875385622 XNILLDBIBJHLBB-UHFFFAOYSA-N 357.334 2.826 70 50 FFIA O=C(Nc1cncc(OS(=O)(=O)F)c1)c1conc1-c1ccccc1 1875387838 ZVZKWRNFQZGFPX-UHFFFAOYSA-N 363.326 2.582 70 50 FFIA COc1ccc(F)cc1[C@@H](NC(=O)COc1ccccc1)[C@H]1C[C@@H](O)C1 218367144 GWLAIKUTFARMAG-KPHUOKFYSA-N 359.397 2.842 70 50 FFIA COc1cc(CN(C)Cc2ccc(OS(=O)(=O)F)cc2)ccc1O 1875387568 NUVNQIULSMWJGU-UHFFFAOYSA-N 355.387 2.626 70 50 FFIA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)C1(c2ccccc2F)CC1 218147123 PNGCWYSRFUYNFJ-GMBSWORKSA-N 354.425 2.751 70 50 FFIA COc1cccc(SCC(=O)N2CCC[C@H](c3cc(O)nc(C)n3)C2)c1 218752900 UCIYZBSNIXUDMZ-AWEZNQCLSA-N 373.478 2.998 70 50 FFIA CC(=O)c1ccc(OCC(=O)N[C@@H](C)c2nncn2C2CCCC2)cc1 218424253 FJZIDCYNRLXHKG-ZDUSSCGKSA-N 356.426 2.852 70 50 FFIA COc1ccc(-c2cccc(C(=O)NCCc3nc(C)cc(=O)[nH]3)c2)cc1 218555293 JNRXFQPWWWYEIC-UHFFFAOYSA-N 363.417 2.726 70 50 FFIA COc1ccc2occ([C@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(=O)c2c1 217902146 NCONZLUSDUKMMI-NSHDSACASA-N 366.325 2.971 70 50 FFIA biogenic Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)Cc3cc(C)[nH]n3)cc2)n1 161187471 NVGROUDELKHAEX-CYBMUJFWSA-N 351.454 2.941 70 50 FFIA O=C(CN1CCc2ccccc2C1)N[C@@H](c1ccccc1)[C@H]1C[C@H](O)C1 218267506 VABWVJZWDMYJAR-VWPQPMDRSA-N 350.462 2.673 70 50 FFIA O=C1[C@@H]2CC[C@@H](CN(c3nc4ccccc4cc3CO)C2)N1CC1CCC1 216706319 CNXXZYBDNQFFMB-MJGOQNOKSA-N 365.477 2.954 70 50 FFIA Cc1ccnc(SCC(=O)NC[C@@H]2CCN(c3ccccc3F)C2)n1 218510738 HIRCWSSJTUIEIN-AWEZNQCLSA-N 360.458 2.659 70 50 FFIA Cc1nc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cc(C2CC2)n1 160088281 BWDOBBYMMNYUJY-HNNXBMFYSA-N 359.474 2.679 70 50 FFIA Cn1cc(CCC(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)cn1 218697781 KSPSNJOIHDZEMC-QYGXFBIXSA-N 364.449 2.529 70 50 FFIA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1cc2c(s1)CCCCC2 218083379 VBIRNELPKSPCIF-ZWQIFLOQSA-N 360.523 2.999 70 50 FFIA O=S(=O)(Oc1ccc(I)cc1)C(F)(F)F 100542024 PUSVLEDDCGLWNP-UHFFFAOYSA-N 352.071 2.520 70 50 FFIA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N(C)CCc1cnn(C)c1)O2 216907235 CMBPVHGVEKRNPF-OAQYLSRUSA-N 371.481 2.836 70 50 FFIA O=C(CN1CC[C@H](c2ccccc2)C1)NCc1nncn1C1CCCCC1 218155458 VUGILBKLVLIMKO-SFHVURJKSA-N 367.497 2.889 70 50 FFIA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(-c2ccc(C)o2)n[nH]1 218762126 DWOZBRHGWWAKTE-RDTXWAMCSA-N 359.426 2.848 70 50 FFIA CCOC[C@H]1CCCCN1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382469 CHKXLMWKLQERPV-CYBMUJFWSA-N 360.407 2.703 70 50 FFIA Cc1nc2ccccc2n1CCC(=O)NCCc1noc(C2CCC2)n1 217972196 NGBJCWLJVVHPTN-UHFFFAOYSA-N 353.426 2.744 70 50 FFIA CC(=O)N1CC(Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)=CC1=O 218488299 XKMYPNPIKJXSEB-UHFFFAOYSA-N 370.796 2.672 70 50 FFIA CCN1CCN(Cc2cc3ccc(C)cc3nc2N2CCOCC2)CC1 218307618 OANYVIFJJLBDBB-UHFFFAOYSA-N 354.498 2.517 70 50 FFIA O=C(Cc1cn2ccsc2n1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 218632329 SQWJJMVZLSSQPP-NBMJBFSESA-N 367.474 2.701 70 50 FFIA CCOC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C[C@@]23C=C[C@H]1O3 217635151 UWWXGLYVHAIYSP-WBOJAVRRSA-N 367.323 2.555 70 50 FFIA CC(=O)N1CCC(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)CC1 218145570 FOCUZYCXQDUOML-LJQANCHMSA-N 355.413 2.685 70 50 FFIA Cc1n[nH]c(C)c1CCNC(=O)CCSc1ccc2c(c1)OCCO2 217089391 ACIOKAVEBLYPRS-UHFFFAOYSA-N 361.467 2.639 70 50 FFIA O=c1cc(CN2CCCCC2)oc(CN2CCc3ccccc3C2)c1O 217741365 DPTFVIUMPCIACW-UHFFFAOYSA-N 354.450 2.890 70 50 FFIA biogenic Cc1nc(CC(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c(C)s1 218573686 LXPPVNAVIYBITJ-MSOLQXFVSA-N 360.479 2.793 70 50 FFIA O=C(N1CCN(c2ncncn2)CC1)N(c1ccccc1)c1ccccc1 218332522 UGSRBJYGXTWIST-UHFFFAOYSA-N 360.421 2.952 70 50 FFIA COc1ccc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cc1-n1cccn1 217847159 RCZGDSPUHGESFM-ZWKOTPCHSA-N 368.481 2.875 70 50 FFIA biogenic Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 217187382 IZOGXHGDMDBUPK-CYBMUJFWSA-N 356.451 2.542 70 50 FFIA O=C1C[C@H](c2cc3cccc4c3n(c2=O)CC4)c2cc3c(cc2O1)OCO3 217756327 FMMPHLDYAMMALR-ZDUSSCGKSA-N 361.353 2.727 70 50 FFIA biogenic Cc1ccc2c(=O)cc(C(=O)NCCSc3nnc(C)s3)oc2c1 218730753 OPHALZJSSGEAKD-UHFFFAOYSA-N 361.448 2.783 70 50 FFIA CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@H]1C(=O)NCc1ccccn1 218616839 NQFVRTUDTJAAEM-YJBOKZPZSA-N 353.447 2.746 70 50 FFIA O=C(CCCC(=O)N1CCCO[C@H](Cn2cccn2)C1)c1ccccc1 218165956 UNPVBRDLNPGWMG-SFHVURJKSA-N 355.438 2.554 70 50 FFIA Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCc3n[nH]c(C)n3)c2c1 217147853 PVKYUKBANVLCKY-UHFFFAOYSA-N 358.405 2.962 70 50 FFIA Cc1cc(C)n(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)c(=O)n1 218269348 HJPIENJKLYXJNG-UHFFFAOYSA-N 361.445 2.886 70 50 FFIA C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1nnc(-c2ccccc2)o1 217691495 XTGOPYXMSYXHIA-GFCCVEGCSA-N 367.361 2.549 70 50 FFIA Cc1ccc(-c2cc(CNC(=O)CN(C)Cc3cccnc3)no2)cc1 218259965 BCJJYRUQQDTEJZ-UHFFFAOYSA-N 350.422 2.793 70 50 FFIA Cn1c(C(=O)NCCc2nnc3ccccn23)cc2ccc(Cl)cc21 218119857 RJRPDZSVRVIKOB-UHFFFAOYSA-N 353.813 2.847 70 50 FFIA Cc1cc(C)c(CN2CCN(C)CC2)cc1CN(C)Cc1snnc1C 218060697 LNWBHLUSGMATRV-UHFFFAOYSA-N 373.570 2.843 70 50 FFIA C[C@H](O)c1cc2n(n1)CCN(C(=O)CCc1nc3ccccc3s1)C2 217677232 OUOWLXPHQHHYBH-LBPRGKRZSA-N 356.451 2.521 70 50 FFIA O=C(/C=C/c1ccc(OS(=O)(=O)F)cc1)c1cnnn1-c1ccccc1 1875382542 FWDWXBJDVUZOAD-DHZHZOJOSA-N 373.365 2.757 70 50 FFIA COCCn1c(CNC(=O)c2n[nH]c3c2CCCCC3)nc2ccccc21 218550851 YWBOFBIUTQQOHP-UHFFFAOYSA-N 367.453 2.605 70 50 FFIA O=C(CCc1nc(-c2ccncc2)no1)N[C@@H]1CCOC2(CCCC2)C1 159823276 ALFZFCZUCJZGQR-OAHLLOKOSA-N 356.426 2.672 70 50 FFIA Cc1cccc2[nH]c(COCC(=O)NCc3cn4cccc(C)c4n3)nc12 216952505 WQKLRQZKZSBFJR-UHFFFAOYSA-N 363.421 2.660 70 50 FFIA Cc1ccc(N2C[C@@H](NC(=O)CCn3cnc4ccccc43)CC2=O)cc1 218625614 ACCRPGRZYJLJSG-INIZCTEOSA-N 362.433 2.657 70 50 FFIA Cc1cccc(N2CCN(CC(=O)N(C)Cc3nc(C)cs3)CC2)c1 217166024 JENHIXANCHNLAR-UHFFFAOYSA-N 358.511 2.541 70 50 FFIA CCOc1ccc2c(C)c(C(=O)N3CC[C@@H]4CNC[C@@H]43)oc2c1OCC 216952272 RTZFOQAQBUMNNF-HIFRSBDPSA-N 358.438 2.973 70 50 FFIA O=c1c(NCc2ccc3c(c2)OCO3)c(NCc2ccccc2Cl)c1=O 218153675 WYAODQWWIGLFHU-UHFFFAOYSA-N 370.792 2.889 70 50 FFIA O=C(c1cccc(OC(F)F)c1)N1CCn2nc([C@@H](O)C3CC3)cc2C1 218083019 MXAKZQLZESPXOD-INIZCTEOSA-N 363.364 2.584 70 50 FFIA COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)c2ccccc2oc1=O 217636352 TYXWIUAEXKAKPE-CYBMUJFWSA-N 370.357 2.908 70 50 FFIA biogenic Cc1cccc2[nH]c(COCC(=O)N3CCC[C@@H](c4ccncn4)C3)nc12 218587315 OUDDXXLKXXWNSD-OAHLLOKOSA-N 365.437 2.584 70 50 FFIA Cc1cnc(C)c(N2CCN(C(=O)c3scc4c3CCCC4)CC2)n1 218584092 ZEFXSWJBARDMFR-UHFFFAOYSA-N 356.495 2.996 70 50 FFIA O=c1[nH]c2cc3c(cc2cc1CN1CCN(c2ccccc2)CC1)OCO3 218478239 YFPSZMGEGZKOQS-UHFFFAOYSA-N 363.417 2.579 70 50 FFIA CC(C)c1cc(C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)nc(N)n1 217468231 UNCXCRQKIBDYPB-LJQANCHMSA-N 368.481 2.638 70 50 FFIA COc1ccc(C(=O)N2CCC(C(=O)NCC[C@H]3CCCCO3)CC2)cc1 217366617 FGEAXHQWYZCQIF-LJQANCHMSA-N 374.481 2.623 70 50 FFIA COc1cc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc(OC)c1O 217665848 NDNBLXKEDJRUAL-LBPRGKRZSA-N 368.341 2.957 70 50 FFIA biogenic Cc1cc(N2CCN(C(=O)c3ccc(-c4ccco4)cc3)CC2)nc(N)n1 218538396 VJTLUTLFBSIJDL-UHFFFAOYSA-N 363.421 2.590 70 50 FFIA CO[C@H](C)c1noc(CCC(=O)N2C[C@@H]3CCCN3Cc3ccccc32)n1 160130381 RNURUHSVNBDKDI-ZBFHGGJFSA-N 370.453 2.721 70 50 FFIA CC(C)[C@H](NC(=O)c1ccccc1-n1cnnn1)c1nc2ccccc2[nH]1 218548787 GYLIYJZCCJLNOI-KRWDZBQOSA-N 361.409 2.666 70 50 FFIA O=C(NCC1(c2ccc(F)cc2)CC1)c1cccc(S(=O)(=O)F)c1 1339472872 URPBAYMODMXKRP-UHFFFAOYSA-N 351.374 2.946 70 50 FFIA CC(C)c1cccc2c(=O)c(C(=O)N[C@H](CO)Cc3ccccc3)c[nH]c12 217722740 SLYTWRPPDRGGNX-INIZCTEOSA-N 364.445 2.985 70 50 FFIA biogenic NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCC[C@H]2c2ccco2)c1 160216659 HHHYUXSEYKRWHU-LBPRGKRZSA-N 372.805 2.697 70 50 FFIA CC(C)NC(=O)CNC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 161276511 MAJSOPHVIHYCRZ-CQSZACIVSA-N 367.877 2.665 70 50 FFIA O=C1CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O1 95731549 CXYNGWAHZKOMJQ-UHFFFAOYSA-N 360.349 2.626 70 50 FFIA Cc1ccc(N2C[C@H](NC(=O)CCn3cnc4ccccc43)CC2=O)cc1 218625698 ACCRPGRZYJLJSG-MRXNPFEDSA-N 362.433 2.657 70 50 FFIA CO[C@H](C(=O)NC1CCN(C(=O)N2CCCCC2)CC1)c1ccccc1 217200190 MSRYBUIQIRKJPT-SFHVURJKSA-N 359.470 2.561 70 50 FFIA CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C[C@@]23C=C[C@H]1O3 217635229 UWWXGLYVHAIYSP-OEUWWYETSA-N 367.323 2.555 70 50 FFIA COc1cc(C(=O)NCCc2noc(C(F)(F)F)n2)nc2ccccc12 218753779 SFQAQJUDWSGMTC-UHFFFAOYSA-N 366.299 2.618 70 50 FFIA COc1cccc(N2CCN(C(=O)[C@H]3CCc4ccccc4C3)CC2=O)c1 218529624 AMLKLMASNYUTFU-SFHVURJKSA-N 364.445 2.676 70 50 FFIA C[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccc(Oc3ccccc3)o1)C2 217189969 OYXMKNWCPFBLMB-ZDUSSCGKSA-N 353.378 2.978 70 50 FFIA O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1ccc2c(c1)CCCC2 218362546 YFCXIUIRHGPXOS-OAQYLSRUSA-N 365.477 2.764 70 50 FFIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1csc(Cc3ccccc3)n1)C2 217719421 FRGSXHSFNJHESX-CYBMUJFWSA-N 368.462 2.640 70 50 FFIA COc1ccc(C(=O)N[C@@H](C)c2nnc(C(C)C)o2)cc1N1CCOCC1 218730416 GNCZUYZMOAWYLQ-ZDUSSCGKSA-N 374.441 2.529 70 50 FFIA CCc1c(C)nn(CC(=O)N2CCC[C@H](OCc3cccnc3)C2)c1C 218373007 KEOFBURRFUJJQB-SFHVURJKSA-N 356.470 2.665 70 50 FFIA CC[C@@H](O)c1cc2n(n1)CCCN(C1CCN(Cc3ccco3)CC1)C2 217169576 JKCWWAWQOHFOQJ-HXUWFJFHSA-N 358.486 2.790 70 50 FFIA CC[C@H](O)c1cc2n(n1)CCN(CCc1nc3ccc(Cl)cc3[nH]1)C2 217471240 PFTIRODOSWTMRW-KRWDZBQOSA-N 359.861 2.915 70 50 FFIA COc1ccc(-n2cc([C@H](C)NC(=O)CCN3CCCCC3)cn2)cc1 218312211 UOEQGNKHUHDWDK-INIZCTEOSA-N 356.470 2.934 70 50 FFIA CC(=O)Nc1cccc2c1ccn2CC(=O)NCCc1ccc(O)cc1 217611237 CDZGSDZHBXQKGX-UHFFFAOYSA-N 351.406 2.664 70 50 FFIA biogenic Cc1cc(C(F)(F)F)nc(CCNC(=O)c2nn(C)c3ccccc23)n1 218240051 IKJWQLUOXHYBNT-UHFFFAOYSA-N 363.343 2.663 70 50 FFIA O=C(Cc1ccc(F)cc1F)N1CCCO[C@H](CN2CCCCC2)C1 217170395 COODYKMFNKKFPW-QGZVFWFLSA-N 352.425 2.611 70 50 FFIA CC(C)(C)c1cc(C(=O)NCCCc2nc3ccccc3o2)[nH]c(=O)n1 218703537 YWMAYCGMDFEPBF-UHFFFAOYSA-N 354.410 2.571 70 50 FFIA CCc1nc2ccccc2n1CCC(=O)N[C@@H]1CCOC2(CCOCC2)C1 216973249 QVTNTUIGYODXBL-MRXNPFEDSA-N 371.481 2.833 70 50 FFIA COc1cc2c(cc1OC)[C@H](c1cccnc1)N(C(=O)c1cnc[nH]1)CC2 217676932 PUADQAJFOCOPIV-IBGZPJMESA-N 364.405 2.610 70 50 FFIA O=C(c1cc(N2CCCCC2)ccc1Cl)N1CCn2nc(CO)cc2C1 217838867 FYWXSDSDUCCQDG-UHFFFAOYSA-N 374.872 2.675 70 50 FFIA CN(C)c1ccc(C(=O)N2CCC3(CCC(=O)N3)CC2)c2ccccc12 218109414 OHGWDZJBMFXWKS-UHFFFAOYSA-N 351.450 2.791 70 50 FFIA Cc1ccc(S(=O)(=O)N(C)c2ccc(OS(=O)(=O)F)cc2)cc1C 1875368326 JAAFABCPFDHXBQ-UHFFFAOYSA-N 373.427 2.722 70 50 FFIA CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCc3ncc[nH]3)CC2)cc1 217107168 KDXXPQGWZLUZTF-UHFFFAOYSA-N 368.481 2.876 70 50 FFIA CCCc1noc(CN(C)C(=O)C2(c3ccccc3)CCN(C)CC2)n1 218124646 FKTACQMOGCLNAC-UHFFFAOYSA-N 356.470 2.644 70 50 FFIA CN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccn(CC(F)(F)F)n1 160307234 KMRLGOFMFFOIIU-UHFFFAOYSA-N 356.304 2.838 70 50 FFIA COc1cncc([C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]2C[C@H](O)C2)c1 218685592 JPMLBUWBWSHPTQ-GMBSWORKSA-N 351.406 2.814 70 50 FFIA CN1CCN(C)[C@@H](CC(=O)NCCc2cccc(Oc3ccccc3)c2)C1 217964668 ZOSRMUCMBSHVQX-IBGZPJMESA-N 367.493 2.774 70 50 FFIA COc1ccc(-n2cc([C@@H](C)NC(=O)CCN3CCCCC3)cn2)cc1 218312154 UOEQGNKHUHDWDK-MRXNPFEDSA-N 356.470 2.934 70 50 FFIA O=C(NS(=O)(=O)Cc1ccccc1Cl)[C@@H]1OCCc2ccccc21 161143456 HKTZJVYODHVZNX-MRXNPFEDSA-N 365.838 2.600 70 50 FFIA CC(=O)NC[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3Cl)cc2C)C1 159890194 XFMXXSIKBFKRTP-HNNXBMFYSA-N 374.872 2.822 70 50 FFIA O=[N+]([O-])c1ccc(OS(=O)(=O)C(F)(F)F)c(Br)c1 100542005 ORUKXYYVSSWLDT-UHFFFAOYSA-N 350.068 2.586 70 50 FFIA CCc1ccc(S(=O)(=O)N2CCCn3nc([C@H](O)CC)cc3C2)s1 217180426 KFDNTOUBBHZZCN-OAHLLOKOSA-N 369.512 2.545 70 50 FFIA CNC[C@H]1CCCN1C(=O)CCc1ccc(OC)c(Br)c1 161222564 XARAIBKUOGXUQD-CYBMUJFWSA-N 355.276 2.601 70 50 FFIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cc(-n2cnnc2)ccc1Cl 217777266 HPMZWOMHWHIDSY-KBXCAEBGSA-N 373.888 2.915 70 50 FFIA biogenic Cc1csc(SCC(=O)N2CCC([C@@H](O)c3ccccn3)CC2)n1 218658313 XTAIPCFMPLBTRU-MRXNPFEDSA-N 363.508 2.911 70 50 FFIA Cc1cccc(N2CCN(CC(=O)N(C)[C@@H](C)c3c(C)n[nH]c3C)CC2)c1 217192543 SEZJVPYQZFBGDQ-SFHVURJKSA-N 369.513 2.677 70 50 FFIA C[C@@H](NC(=O)c1nc(=O)[nH]c2ccccc12)c1ccccc1-n1cccn1 218677436 GQGIBUPOHTWIOW-CYBMUJFWSA-N 359.389 2.600 70 50 FFIA O=C(CCC(=O)N1CCN(C2Cc3ccccc3C2)CC1)c1ccccc1 218217942 UVFPPIRFFXGGHP-UHFFFAOYSA-N 362.473 2.961 70 50 FFIA O=C(NCCc1nnc2ccccn12)c1cnc2ccc(Cl)cc2c1O 218216444 VIDRUFLNZDUAPN-UHFFFAOYSA-N 367.796 2.609 70 50 FFIA Cc1cccc([C@@H]2CCCN2CC(=O)Nc2ccc3c(c2)OCCO3)n1 160462860 CPCBSKCERJGYOT-KRWDZBQOSA-N 353.422 2.937 70 50 FFIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccnc2ccccc12 217846927 LBAYNDDJVVUDRO-ZDUSSCGKSA-N 364.357 2.541 70 50 FFIA biogenic COc1cc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc2c1OCCO2 217907238 RLOXSVOKWZRVST-CYBMUJFWSA-N 370.357 2.816 70 50 FFIA biogenic Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(Cc1cccc(Cl)c1)C2 218762639 DFJWWZXCZZGFCF-IBGZPJMESA-N 371.872 2.758 70 50 FFIA O=C(NCCc1nc2c(s1)CCCC2)c1scc2c1OCCO2 217999812 VHYYHFXKSZFTKV-UHFFFAOYSA-N 350.465 2.827 70 50 FFIA CO[C@@H](C)c1noc(CCC(=O)N2C[C@@H]3CCCN3Cc3ccccc32)n1 160130242 RNURUHSVNBDKDI-HOCLYGCPSA-N 370.453 2.721 70 50 FFIA CC(C)(C)c1cc(C(=O)NCc2ccc(CN3CCCC3)cc2)[nH]c(=O)n1 218388038 NZDJBDHAHRVNTL-UHFFFAOYSA-N 368.481 2.593 70 50 FFIA CC(=O)N1CC(Nc2cccc(NC(=O)CCc3ccccc3)c2)=CC1=O 218551506 WZGQGVCNFKKVQR-UHFFFAOYSA-N 363.417 2.942 70 50 FFIA CCn1nccc1C(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 218582559 ODZWZDZVSQJKTP-GSQSYGFSSA-N 350.422 2.693 70 50 FFIA COc1ccc2c(c1)c(C(=O)Cn1ccc(=O)c(OC)c1C)c(C)n2C 217869680 DCXJQYQNQBRKHF-UHFFFAOYSA-N 354.406 2.857 70 50 FFIA biogenic CCc1c(C)nn(-c2cccc(C(=O)N3CCC(CN(C)C)CC3)c2)c1O 217910065 UIHWQQGDLYNMMX-UHFFFAOYSA-N 370.497 2.863 70 50 FFIA CCc1oc2ccccc2c1CN1CCCn2nc([C@H](O)CO)cc2C1 217207277 OZWFDTDYAFDRAP-GOSISDBHSA-N 355.438 2.623 70 50 FFIA COCCn1c(C)cc(C)c(C(=O)Nc2cccc3c2ccn3C)c1=O 218287084 YRPQPBJLUPOPGI-UHFFFAOYSA-N 353.422 2.856 70 50 FFIA CCOCCn1nc(C)cc1C(=O)N1CCCC[C@H]1CCn1cccn1 218015747 RCMPRBPRSIFMKN-KRWDZBQOSA-N 359.474 2.510 70 50 FFIA Cn1nc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)cc1C(C)(C)C 1875385111 MXXSSCWVCZKSKT-UHFFFAOYSA-N 355.391 2.563 70 50 FFIA CC(=O)N[C@H]1CN(Cc2ccc(N(C)C)nc2)C[C@@H]1c1ccc(C)cc1 216937112 IMPXKDXQHBWGTL-UXHICEINSA-N 352.482 2.560 70 50 FFIA CCc1nc(C2(NC(=O)c3ccncc3Br)CCCC2)no1 159561051 JWNSIMKGEABVOZ-UHFFFAOYSA-N 365.231 2.989 70 50 FFIA COc1cccc(SCC(=O)N2CCC[C@@H](c3cc(O)nc(C)n3)C2)c1 218752848 UCIYZBSNIXUDMZ-CQSZACIVSA-N 373.478 2.998 70 50 FFIA COc1ccc(-c2cc(C(=O)Nc3n[nH]c(C(C)C)n3)[nH]n2)cc1OC 218326275 QIJDVAPBTRUABP-UHFFFAOYSA-N 356.386 2.588 70 50 FFIA Cc1cn2cc(CNC(=O)CCCc3nc(-c4ccco4)no3)nc2s1 217668687 BBSPDEVGQHRVNI-UHFFFAOYSA-N 371.422 2.986 70 50 FFIA CCCCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NCc1cn2cc(C)sc2n1 217079945 GTMGPKBVXCMWFB-CVEARBPZSA-N 374.510 2.819 70 50 FFIA CNc1cc([C@H]2C[C@@H](NC(=O)c3c(C)nc4ccc(Cl)cn34)C2)ncn1 218772484 QNZVLRCJEOICJS-AULYBMBSSA-N 370.844 2.804 70 50 FFIA O=C(Cn1cc(-c2ccccc2)ncc1=O)NCCSc1ccccc1 218128497 FVWIKJBOGRAPEO-UHFFFAOYSA-N 365.458 2.819 70 50 FFIA COc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1 218194726 GPKWGDZGASQGFJ-ZDUSSCGKSA-N 351.362 2.523 70 50 FFIA N[C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1 160227694 NUPQUAQGCSVEQY-CQSZACIVSA-N 373.250 2.853 70 50 FFIA CSCc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)o1 218025409 WICNMGKJKFXUJH-UKRRQHHQSA-N 368.480 2.703 70 50 FFIA C[C@@H](NC(=O)CCC(=O)Nc1ccccc1)c1nc(-c2ccccn2)no1 218593659 SWBIUKATYCXOIB-CYBMUJFWSA-N 365.393 2.728 70 50 FFIA O=C(c1nnc2n1CCCCC2)N1CCC(Oc2cccc(F)c2)CC1 217185735 GXJJRTRAIXLLKR-UHFFFAOYSA-N 358.417 2.827 70 50 FFIA CCc1ccc2nc(C)cc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N(C)C)c2c1 218727479 DZALQBSBYQLTKR-ZVEHZALQSA-N 353.466 2.553 70 50 FFIA COC(=O)N1CCCC[C@@H]1C(=O)N1CCC(c2nc(C(C)C)no2)CC1 218643784 ITDJOLUUWBOCKS-CQSZACIVSA-N 364.446 2.520 70 50 FFIA COc1cn(CC(=O)Nc2ccc3c(c2)nc(C(C)C)n3C)c(C)cc1=O 218416772 KGHHKERXJKAPDT-UHFFFAOYSA-N 368.437 2.814 70 50 FFIA COc1ccc(C(=O)N2CCC(C(=O)NCC[C@@H]3CCCCO3)CC2)cc1 217366526 FGEAXHQWYZCQIF-IBGZPJMESA-N 374.481 2.623 70 50 FFIA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ccc2c(c1)CCC2 218735376 QSPCRPAKQIIVAG-WOJBJXKFSA-N 370.449 2.884 70 50 FFIA COc1cccc(N2CCN(C(=O)[C@@H]3CCc4ccccc4C3)CC2=O)c1 218529533 AMLKLMASNYUTFU-GOSISDBHSA-N 364.445 2.676 70 50 FFIA O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)C(=O)Nc1ccccc12 217966546 ODUNJUCUTXKNCL-UHFFFAOYSA-N 350.374 2.541 70 50 FFIA Cc1n[nH]c([C@@H]2CCCN(C(=O)CN3CCC(c4ccccc4)CC3)C2)n1 217092256 ADPSYJXARTYEGF-LJQANCHMSA-N 367.497 2.699 70 50 FFIA COCCn1c(C)cc(C)c(C(=O)NCCc2c[nH]c3ccccc23)c1=O 218131827 HJOOVLSVDSQGRH-UHFFFAOYSA-N 367.449 2.565 70 50 FFIA Cc1ccc2oc(=O)n(CCC(=O)N(C)[C@H](C)c3c(C)n[nH]c3C)c2c1 217041751 QIAOEFTWWUXCQG-CQSZACIVSA-N 356.426 2.853 70 50 FFIA C[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(CN3CCCC3)cs1)C2 217141188 SGUMWWRQUDCLSE-OAHLLOKOSA-N 360.527 3.000 70 50 FFIA Cc1ccccc1CSCC(=O)N1CCCO[C@H](CN2CCCC2)C1 218754227 OTBMLYNZPOBEBK-LJQANCHMSA-N 362.539 2.942 70 50 FFIA Cn1nnc2ccc(NC(=O)CC3(n4cccc4)CCCCC3)cc2c1=O 218341569 FZDPLVWTVWGYGA-UHFFFAOYSA-N 365.437 2.818 70 50 FFIA O[C@@H](c1ccccc1)c1cc2n(n1)CCCN(CCn1cc(Cl)cn1)C2 216925729 WTBOTZRMZWLPLV-IBGZPJMESA-N 371.872 2.721 70 50 FFIA O=C(Cc1ccsc1)N1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 218186135 ITMNVDIZRZGBEH-LJQANCHMSA-N 367.474 2.806 70 50 FFIA OC[C@H](O)c1cc2n(n1)CCN(Cc1ccc(Oc3ccccc3)cc1)C2 218102585 MLNSUWSJJDVXAZ-NRFANRHFSA-N 365.433 2.717 70 50 FFIA Cc1scc(C(=O)N2CCN(Cc3nnc[nH]3)CC2)c1-c1ccccc1 218465738 QYUWQYWCBVTFPB-UHFFFAOYSA-N 367.478 2.800 70 50 FFIA Cc1nc(O)c(Cl)c(N2CCCn3nc([C@H](O)C4CCC4)cc3C2)n1 218767340 FQSMQZIUWGHIIX-OAHLLOKOSA-N 363.849 2.584 70 50 FFIA COc1ccc(C2(C(=O)NCCSc3nc(C)n[nH]3)CCCC2)cc1 218434983 ZNILFAZYIFDEEO-UHFFFAOYSA-N 360.483 2.842 70 50 FFIA CCc1cc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)on1 217861288 IZOYNTXUBPMWBX-FQEVSTJZSA-N 352.438 2.921 70 50 FFIA CSCC[C@H](NC(=O)Cn1c(C)ccc1C)c1nnc2ccccn12 218439143 MUSFOGBPXVCDGA-HNNXBMFYSA-N 357.483 2.758 70 50 FFIA Cc1cc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)nc(C)n1 218319767 IMMIEWPYAVCJAI-LAGYLCCXSA-N 362.433 2.884 70 50 FFIA CCC(=O)N1CC[C@H](C(=O)Nc2ccccc2-c2nc(C(C)C)n[nH]2)C1 159591855 KRAAOKGEEXJPQQ-ZDUSSCGKSA-N 355.442 2.792 70 50 FFIA Cc1ccccc1N1CCCN(C(=O)c2cc(CC(C)C)nc(N)n2)CC1 217938248 FYSMPABQGXKISW-UHFFFAOYSA-N 367.497 2.918 70 50 FFIA COc1cccc(NC(=O)C[C@@H]2OC(=O)c3c2ccc(OC)c3OC)c1 218319837 ZHZQAGYGGCHVQM-HNNXBMFYSA-N 357.362 2.953 70 50 FFIA Nc1cccc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)n1 216996038 FOHLZJDHJXQGTK-DJPFJPOOSA-N 351.450 2.956 70 50 FFIA COc1ccc(S(=O)(=O)N(C)Cc2noc(C3CCCCC3)n2)cc1 160597517 FHDGOGDEGFUGRE-UHFFFAOYSA-N 365.455 2.947 70 50 FFIA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccn2C)n1 218219852 DPNZWELSIDPUIB-IBGZPJMESA-N 363.465 2.772 70 50 FFIA Cc1ccnc(SCC(=O)NC[C@H]2CCN(c3ccccc3F)C2)n1 218510825 HIRCWSSJTUIEIN-CQSZACIVSA-N 360.458 2.659 70 50 FFIA CC[C@@H](C)[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(OC)c(Cl)c1 218392199 YWXMVTHNXMXTOM-QMTHXVAHSA-N 351.834 2.876 70 50 FFIA COCCn1ccc2c(NC(=O)CNc3nc(C)cc(C)n3)cccc21 218538822 ZQGDVBMHIGYQTI-UHFFFAOYSA-N 353.426 2.745 70 50 FFIA Cc1[nH]c2c3ccccc3nn2c(=O)c1CCC(=O)Nc1nccs1 218437800 PHEIIQXOVTXLSI-UHFFFAOYSA-N 353.407 2.512 70 50 FFIA CC(=O)N1CC(Nc2ccc(C(=O)Nc3ccccn3)c(Cl)c2)=CC1=O 218570472 IEYFMSGLZLEBOW-UHFFFAOYSA-N 370.796 2.672 70 50 FFIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CC(CC2CCOCC2)C1 1875382677 LWRXPPDVTFLZTA-UHFFFAOYSA-N 372.418 2.560 70 50 FFIA Cc1ccc(F)c(C(=O)NCCc2noc([C@H]3CCCO3)n2)c1Cl 218509862 ZWTQOJUGIYENTD-LLVKDONJSA-N 353.781 2.995 70 50 FFIA O=C(CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCCCC1 161127621 OHZSAKQYHKPZHD-HOTGVXAUSA-N 356.388 2.826 70 50 FFIA CC(=O)NC[C@H]1CCCN(C(=O)c2nn(-c3ccccc3Cl)cc2C)C1 159890060 XFMXXSIKBFKRTP-OAHLLOKOSA-N 374.872 2.822 70 50 FFIA CC(=O)Nc1ccc(NC(=O)c2c3c(nc4c2c(C)nn4C)CCC3)cc1 218597714 ZBLXLUABSMEMHL-UHFFFAOYSA-N 363.421 2.976 70 50 FFIA O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)Nc1ccc2cc[nH]c2c1 218310520 JVUYXRHKEDFYRD-HNNXBMFYSA-N 366.377 2.600 70 50 FFIA Cn1nc(CN2CCN(CC3CC3)[C@@H](CCO)C2)c2c(Cl)cccc21 216986929 OQDQQJJWCOBCNA-HNNXBMFYSA-N 362.905 2.505 70 50 FFIA CC(C)c1csc(CCNC(=O)C[C@H]2Oc3ccccc3NC2=O)n1 218249691 SAMRSYMLEYXQLY-OAHLLOKOSA-N 359.451 2.715 70 50 FFIA Cc1cnn(Cc2cc(C(=O)Nc3ccccc3N3CCCC3=O)no2)c1 160752960 CQRKAXKANRPDKX-UHFFFAOYSA-N 365.393 2.607 70 50 FFIA O=C(CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCCCC1 161127980 OHZSAKQYHKPZHD-HZPDHXFCSA-N 356.388 2.826 70 50 FFIA CCNc1nc(C)c(C(=O)NCCc2csc(-c3cnccn3)n2)s1 218215291 WKTGRWZDLHTCPA-UHFFFAOYSA-N 374.495 2.769 70 50 FFIA Cn1ccnc1CN(C(=O)[C@@H]1CCCCN1Cc1ccccc1)C1CC1 218269846 RAOWQJSHZORPEP-IBGZPJMESA-N 352.482 2.966 70 50 FFIA Cc1ccn2cc(CNC(=O)C3(c4ccccc4)CCN(C)CC3)nc2c1 217184419 IXICYPSGKPCURN-UHFFFAOYSA-N 362.477 2.923 70 50 FFIA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1ccc2c(c1)OCCO2 218488602 REAKWSFQIUCQAC-YLJYHZDGSA-N 369.417 2.562 70 50 FFIA COc1ccc2occ([C@H]3CC(=O)Oc4cc(C)oc(=O)c43)c(=O)c2c1 217941263 XZCQZQSBFGPWMZ-LLVKDONJSA-N 354.314 2.504 70 50 FFIA biogenic CC[C@H](C)[C@H](C(=O)N[C@H](CO)c1ccccc1)N1Cc2ccccc2C1=O 217926199 HTUOCHWIZUIUTC-CWFSZBLJSA-N 366.461 2.907 70 50 FFIA biogenic CC(=O)N[C@@H](C)Cc1c(C(=O)N(C)CC2CCOCC2)[nH]c2ccccc12 217416336 BRLLUKSUADOXSO-AWEZNQCLSA-N 371.481 2.734 70 50 FFIA COC[C@H]1[C@@H](NC(=O)c2cc(C)nc3c(Cl)cccc23)[C@@H]2CCO[C@@H]21 218051802 GVTMDGKLXLMDNG-GKEYINFOSA-N 360.841 2.976 70 50 FFIA COc1ccccc1-c1cccc(C(=O)N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)c1 218683844 FSQUFPFSFCXXSE-KJWXAFIESA-N 367.445 2.566 70 50 FFIA C[C@@H](O)c1cc2n(n1)CCCN(Cc1nccn1Cc1ccccc1)C2 217369834 JLGCLDZZFOVBPJ-MRXNPFEDSA-N 351.454 2.587 70 50 FFIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(SC)cc1 217917175 VLBALNGGCTXXJV-GFCCVEGCSA-N 359.403 2.715 70 50 FFIA biogenic COc1ccc(-c2n[nH]cc2C(=O)N[C@H](CO)c2ccccc2)cc1OC 218316121 LYQHRERPLCIMIW-MRXNPFEDSA-N 367.405 2.557 70 50 FFIA O=C(CCc1nc(-c2ccoc2)no1)N1CCO[C@@H](c2cccs2)C1 161375631 MQYLDKPFKAXUPQ-CYBMUJFWSA-N 359.407 2.924 70 50 FFIA COc1ccc([C@@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc1O 218048762 MYAPCOFAPVSUBD-NSHDSACASA-N 360.362 2.868 70 50 FFIA biogenic CC(C)Cn1c([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C)C2)nc2ccccc21 217924665 NIFVIILATPVKBH-QAPCUYQASA-N 368.481 2.834 70 50 FFIA biogenic CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(SC)cc1 217917227 VLBALNGGCTXXJV-LBPRGKRZSA-N 359.403 2.715 70 50 FFIA biogenic O=C(NC1CCN(c2ccccc2F)CC1)c1nnc2n1CCCCC2 217569112 APUDRRHSZGSVBW-UHFFFAOYSA-N 357.433 2.542 70 50 FFIA Cc1cc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)nc(C)n1 218319667 IMMIEWPYAVCJAI-MKJPBZQASA-N 362.433 2.884 70 50 FFIA CCCNC(=O)c1cccc(NC(=O)NC[C@@]2(O)CCc3ccccc32)c1 159797934 ZGWUCPKIKVBNOT-NRFANRHFSA-N 367.449 2.782 70 50 FFIA CC1CCN(CC(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 218736871 YUAFFTXFFODVFK-RKOYOZNISA-N 367.493 2.895 70 50 FFIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc2ncccc2c1 217630626 SXVVJFFZVWCUDY-CYBMUJFWSA-N 364.357 2.541 70 50 FFIA biogenic O=C(Cc1c[nH]c2ccccc12)N[C@@H]1COCC[C@@H]1OCc1cscn1 218389442 UYIMMFLFBZKKKQ-MSOLQXFVSA-N 371.462 2.657 70 50 FFIA CC1=C(C(=O)NCc2cc(-c3cccc(F)c3)no2)SC2=NCCN21 218580331 GJLRGUBFMGLPHN-UHFFFAOYSA-N 358.398 2.747 70 50 FFIA O=C(Cc1ccc(F)cc1)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218114643 SQAZHDPBBMBVBJ-QYGXFBIXSA-N 355.409 2.932 70 50 FFIA O=C(Nc1n[nH]c(CCc2ccccc2)n1)c1cc(-c2ccncc2)n[nH]1 218546216 ZOPJOSYREAGVGY-UHFFFAOYSA-N 359.393 2.627 70 50 FFIA COc1ccc2c(ccn2CCNC(=O)c2cc(-c3ccncc3)n[nH]2)c1 218510931 PIXIEHIZKLNESL-UHFFFAOYSA-N 361.405 2.865 70 50 FFIA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCCn2nc(CO)cc2C1 217182286 MSQQQMBOAXMNIF-UHFFFAOYSA-N 374.872 2.675 70 50 FFIA CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCc1ccccn1 218447627 DROHNNUGRVYVRW-VQIMIIECSA-N 367.474 2.789 70 50 FFIA Cc1ccc([C@H](NC(=O)CCCN2CCOCC2)c2ccncc2)cc1 217646178 HTPYXUUDWBFOHE-NRFANRHFSA-N 353.466 2.708 70 50 FFIA Cn1ccnc1[C@@H](NC(=O)c1scc2c1OCCO2)c1ccccc1 217783946 MHAHVLKVXAJMMW-AWEZNQCLSA-N 355.419 2.772 70 50 FFIA CN(C(=O)c1ccc(CN)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O 159746454 XOYFUOIUGYHUQR-KRWDZBQOSA-N 357.841 2.676 70 50 FFIA Cc1ccnc(SCC(=O)NC2CCN(c3ccccc3F)CC2)n1 218623731 XSTIHPOMEGEODL-UHFFFAOYSA-N 360.458 2.801 70 50 FFIA COC(=O)C[C@H](c1ccc2nccnc2c1)c1cc2c(cc1O)OCO2 218071518 DNDXFIZWNJASML-GFCCVEGCSA-N 352.346 2.759 70 50 FFIA biogenic O=C(c1ccn(C(F)F)n1)N1CCC[C@H]1c1nc(-c2ccncc2)no1 218656456 VXKLYQCCMLIDQV-LBPRGKRZSA-N 360.324 2.701 70 50 FFIA CC(C)n1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)c2ccccc2c1=O 218284022 WXHAKDHVCNNJIQ-UHFFFAOYSA-N 374.404 2.810 70 50 FFIA Cc1ccc(F)c(C(=O)NCCc2noc([C@@H]3CCCO3)n2)c1Cl 218509793 ZWTQOJUGIYENTD-NSHDSACASA-N 353.781 2.995 70 50 FFIA Cc1ccn2c(C(=O)N3CCC[C@H](COc4cccc(F)c4)C3)nnc2n1 217817257 ZWEMMWLYZDPPPB-AWEZNQCLSA-N 369.400 2.503 70 50 FFIA CCCN(C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 161188508 OKSAOKROTBUAJQ-HNNXBMFYSA-N 356.474 2.678 70 50 FFIA COc1ccc(F)cc1[C@H](NC(=O)COc1ccccc1)[C@H]1C[C@@H](O)C1 218367218 GWLAIKUTFARMAG-WAWZGNHOSA-N 359.397 2.842 70 50 FFIA Cc1ccccc1S(=O)(=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218464063 JCZXSSPHRJZBML-LBXVMSDZSA-N 373.474 2.720 70 50 FFIA O=C1C[C@@H](c2cc3cccc4c3n(c2=O)CC4)c2cc3c(cc2O1)OCO3 217756243 FMMPHLDYAMMALR-CYBMUJFWSA-N 361.353 2.727 70 50 FFIA biogenic O=C(c1cccc(OC(F)F)c1)N1CCn2nc([C@H](O)C3CC3)cc2C1 218083103 MXAKZQLZESPXOD-MRXNPFEDSA-N 363.364 2.584 70 50 FFIA COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1cc2c(cc1O)OCO2 218058801 SLPHNPCNLJRQKX-GFCCVEGCSA-N 360.362 2.833 70 50 FFIA biogenic O=C1CC[C@@H]2CN(Cc3cccc(F)c3)CC[C@@H]2N1CCc1cnc[nH]1 216982052 VDNDGBFJVHEYFN-APWZRJJASA-N 356.445 2.604 70 50 FFIA Cc1n[nH]c([C@H]2CCCN(C(=O)CN3CCC(c4ccccc4)CC3)C2)n1 217092279 ADPSYJXARTYEGF-IBGZPJMESA-N 367.497 2.699 70 50 FFIA C[C@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)c1ccccc1-n1cccn1 159703827 VGEOZDOKROBXJS-AWEZNQCLSA-N 362.433 2.930 70 50 FFIA Cc1cccc(N2CCN(CC(=O)N(C)[C@H](C)c3c(C)n[nH]c3C)CC2)c1 217192539 SEZJVPYQZFBGDQ-GOSISDBHSA-N 369.513 2.677 70 50 FFIA Cc1nc(-c2cccc(NC(=O)c3cccc4c3oc(=O)n4C)c2)no1 161171432 OCYDDPOSAYCCDM-UHFFFAOYSA-N 350.334 2.742 70 50 FFIA COCCN1CCC[C@@H](CNC(=O)Cc2ccccc2C(F)(F)F)C1 218399540 MQDKTZXKFLSHHW-AWEZNQCLSA-N 358.404 2.723 70 50 FFIA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2cn[nH]c2c1 218307775 CNEHQDRYPBYXAE-OAHLLOKOSA-N 367.361 2.820 70 50 FFIA Cc1c(CN2CCCn3nc([C@@H](O)CO)cc3C2)[nH]c2c(Cl)cccc12 217923533 ZVILQBITPCYLTR-SFHVURJKSA-N 374.872 2.758 70 50 FFIA O=C(c1cc(Cl)cc(Cl)c1Cl)N1CCn2nc(CO)cc2C1 217143164 UEVLNSISMVPJNC-UHFFFAOYSA-N 360.628 2.992 70 50 FFIA CC[C@H](O)c1cc2n(n1)CCN(Cc1nccn1Cc1ccccc1)C2 217204609 JVCKWSHFGZLJIF-IBGZPJMESA-N 351.454 2.587 70 50 FFIA COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1cc2c(cc1O)OCO2 218058866 SLPHNPCNLJRQKX-LBPRGKRZSA-N 360.362 2.833 70 50 FFIA biogenic CC(C)n1c(CCCCCNC(=O)[C@@H]2CC(=O)N(C)C2)nc2ccccc21 218460756 QGWDYKGVVSFTMW-MRXNPFEDSA-N 370.497 2.925 70 50 FFIA CCCc1nc(C(=O)N2C[C@H](c3ccc(C)o3)[C@@H](NC(C)=O)C2)cs1 216648205 PFUFLGVFCGEACY-KBPBESRZSA-N 361.467 2.741 70 50 FFIA Cc1ccc(S(=O)(=O)F)cc1CN=c1cc(C)n(CC(F)(F)F)[nH]1 1875381061 IUONQYRPTXHEIU-UHFFFAOYSA-N 365.352 2.754 70 50 FFIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N(Cc1nccs1)C1CC1 1875382584 HSTFLMVNTPHFDP-UHFFFAOYSA-N 371.415 2.933 70 50 FFIA CN(CCc1noc(C(F)(F)F)n1)C(=O)CCn1cnc2ccccc21 217971690 HOXOMTOSWXOUPD-UHFFFAOYSA-N 367.331 2.529 70 50 FFIA CC[C@@H](O)c1cc2n(n1)CCN(Cc1nccn1Cc1ccccc1)C2 217204603 JVCKWSHFGZLJIF-LJQANCHMSA-N 351.454 2.587 70 50 FFIA COc1ccc2cc([C@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(=O)[nH]c2c1 217665627 JCDIBPXGLQOHID-LBPRGKRZSA-N 365.341 2.706 70 50 FFIA biogenic C[C@H](NC(=O)N1CCC(N(C)CCO)CC1)c1cccc2ccccc12 161278941 FUGFVLKXEWNGFK-INIZCTEOSA-N 355.482 2.999 70 50 FFIA COCCc1nc(CNC(=O)c2ccc(-c3ccccc3OC)cc2)no1 218427980 MQGKCWNGIJGVTD-UHFFFAOYSA-N 367.405 2.864 70 50 FFIA COc1cc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc2c1OCO2 217719627 DHWBELDJRWDOHO-GFCCVEGCSA-N 356.330 2.773 70 50 FFIA biogenic Cc1c[nH]c(CN(C)C(=O)c2cnc(SCc3ccccc3)nc2O)n1 217062865 GBNOJWLEPKJUOC-UHFFFAOYSA-N 369.450 2.778 70 50 FFIA COc1ccnc(N2CCN(Cc3ncc(-c4ccccc4F)o3)CC2)n1 159527109 OTQCUMOGRHONBG-UHFFFAOYSA-N 369.400 2.602 70 50 FFIA O=C(Nc1cncc(OS(=O)(=O)F)c1)c1cccc(OCC2CC2)c1 1875387684 SSUJZAWTVZCZMM-UHFFFAOYSA-N 366.370 2.716 70 50 FFIA Cn1cnnc1SCCNC(=O)[C@]1(c2ccccc2)CC12CCCC2 217022793 LGDGNCADFNGNHS-LJQANCHMSA-N 356.495 2.926 70 50 FFIA Cc1cc2c(c(=O)o1)[C@H](c1cc3cccc4c3n(c1=O)CCC4)CC(=O)O2 217944977 FEKMXJAKLJUYQG-AWEZNQCLSA-N 363.369 2.650 70 50 FFIA biogenic COC(=O)c1cccc2cc(OS(=O)(=O)F)cc(Br)c12 1875379535 VKWUKBHHENJPBO-UHFFFAOYSA-N 363.160 2.982 70 50 FFIA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc2ncccc2c1 218746204 ONLDCJDVVJAIFH-QZTJIDSGSA-N 369.446 2.795 70 50 FFIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](c1cccnc1)CC(=O)O2 217759922 UBDAJGFPNSKUAD-GFCCVEGCSA-N 365.341 2.846 70 50 FFIA biogenic COCCn1c(C)cc(C)c(C(=O)Nc2ccc3nc(C)[nH]c3c2)c1=O 218448557 ABDBFLHTPLKGHR-UHFFFAOYSA-N 354.410 2.549 70 50 FFIA CSc1ccc(CC(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)cc1 218190468 WMIVJKLEVHPMJA-RTBURBONSA-N 372.490 2.837 70 50 FFIA O=C(CCCn1cccn1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 218109719 QKONWDJPGYXIEV-UXHICEINSA-N 352.482 2.786 70 50 FFIA O=C(N1CCn2nc([C@H](O)C3CC3)cc2C1)C1(c2ccccc2F)CC1 218284062 XPSAPNMFJFPPSP-GOSISDBHSA-N 355.413 2.540 70 50 FFIA COc1ccc(-c2n[nH]cc2C(=O)N[C@H](CO)CCSC)cc1Cl 218235233 HUKFSIOVKNXBEG-NSHDSACASA-N 369.874 2.583 70 50 FFIA Cc1cccc(N2CCN(CC(=O)N3CCC[C@H]3c3ccccn3)CC2)c1 217930431 CUXOIGMEMOUMMY-NRFANRHFSA-N 364.493 2.876 70 50 FFIA CN1C(=O)C[C@H](CNC(=O)CCc2nc3ccccc3[nH]2)c2ccccc21 217624889 KJUJPHHBIANGCK-CQSZACIVSA-N 362.433 2.762 70 50 FFIA O=C(Cc1cccs1)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 217497227 DLDAAYHCIUMIDW-IBGZPJMESA-N 353.447 2.611 70 50 FFIA O=C(COc1ccc(F)c(Cl)c1)N[C@@H]1CCOC2(CCOCC2)C1 218257143 VEIGKOZONKVRNA-GFCCVEGCSA-N 357.809 2.702 70 50 FFIA CCCN(C)C[C@H]1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 161188632 OKSAOKROTBUAJQ-OAHLLOKOSA-N 356.474 2.678 70 50 FFIA COC(=O)c1nc(NC(=O)c2cnc3c(OC)cccc3c2O)sc1C 218203998 BGEHSVVKMIYHOM-UHFFFAOYSA-N 373.390 2.753 70 50 FFIA COc1cccc2c1CCN(C(=O)Nc1ccnn1C[C@@H]1CCOC1)C2 159829245 DARANTPSAADJEB-AWEZNQCLSA-N 356.426 2.518 70 50 FFIA Cc1cccc(N2CCN(CC(=O)N3CCC[C@@H]3c3ccccn3)CC2)c1 217930348 CUXOIGMEMOUMMY-OAQYLSRUSA-N 364.493 2.876 70 50 FFIA Cc1c[nH]nc1C1CCN(C(=O)CN2CC[C@H](c3ccccc3)C2)CC1 216969734 GLDXVXZUUKEOHV-IBGZPJMESA-N 352.482 2.914 70 50 FFIA COc1cccc2c1CC[C@@H]2NC(=O)Nc1cnn(C[C@H]2CCCO2)c1 161314537 JUFUKSMQZFIFFN-PBHICJAKSA-N 356.426 2.880 70 50 FFIA Cc1cc(C)nc(NCC(=O)NCCn2ccc3c(Cl)cccc32)n1 218310278 OVMAXBZRGOITBH-UHFFFAOYSA-N 357.845 2.930 70 50 FFIA O=C(CC1=CSC2=NCCCN12)NCCc1nc2c(s1)CCCC2 218261553 PSWBFRIGOWZUBA-UHFFFAOYSA-N 362.524 2.721 70 50 FFIA COc1cc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc2c1OCO2 217719535 DHWBELDJRWDOHO-LBPRGKRZSA-N 356.330 2.773 70 50 FFIA biogenic COCCN1C[C@@H]2CC[C@H]1CN(Cc1cnc(-c3ccccc3C)nc1)C2 216782858 RVVDDHDUVHBPNL-QUCCMNQESA-N 366.509 2.995 70 50 FFIA CC(C)c1cc(C(=O)N2CCn3nc([C@H](O)c4ccccc4)cc3C2)no1 218626865 CNIWGNFJSZUXIS-LJQANCHMSA-N 366.421 2.732 70 50 FFIA COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc5c(cc43)OCO5)cc2c1 217722938 DABWKHSZFYVNAP-LBPRGKRZSA-N 365.341 2.706 70 50 FFIA biogenic O=C(c1ccnnc1)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 217641957 QOYHGKJUSDLHBT-OAQYLSRUSA-N 350.466 2.995 70 50 FFIA Cc1cc(N2CCN(C(=O)c3ccnn3C(C)C)CC2)nc(C(C)C)n1 159858438 LMVRJVRRFFOCPW-UHFFFAOYSA-N 356.474 2.648 70 50 FFIA C[C@H](NC(=O)CN1CCOc2ccccc2C1)c1ccc2c(c1)OCCO2 217599552 SZMWIXPRTVWNKY-HNNXBMFYSA-N 368.433 2.530 70 50 FFIA Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382869 UYIDRNOTLIEQFF-HNNXBMFYSA-N 367.402 2.987 70 50 FFIA O=C(Cc1noc2ccc(F)cc12)Nc1ccc(S(=O)(=O)F)cc1 2325885104 SIWABESFIOTSJZ-UHFFFAOYSA-N 352.318 2.806 70 50 FFIA O[C@H](c1ccccc1)c1cc2n(n1)CCCN(CCn1cc(Cl)cn1)C2 216925703 WTBOTZRMZWLPLV-LJQANCHMSA-N 371.872 2.721 70 50 FFIA C[C@H](CCC(=O)N1CCOc2ccc(Cl)cc2C1)N1CCOCC1 218426726 QPZSBRRVWABRGU-CQSZACIVSA-N 352.862 2.562 70 50 FFIA Cc1ccc2[nH]c(CCC(=O)N3CCC(n4cnnc4)CC3)nc2c1C 218518631 XFOUHDYWESZJMW-UHFFFAOYSA-N 352.442 2.568 70 50 FFIA Cc1cc2c(c(=O)o1)[C@@H](c1cc3cccc4c3n(c1=O)CCC4)CC(=O)O2 217945067 FEKMXJAKLJUYQG-CQSZACIVSA-N 363.369 2.650 70 50 FFIA biogenic CCN(CCn1cccn1)C(=O)[C@@H](C)N1C(=O)c2cccc3cccc1c23 218046509 JBIQEAHCCVGVHX-OAHLLOKOSA-N 362.433 2.934 70 50 FFIA O=C(CCCc1cccs1)N[C@@H]1COCC[C@H]1OCc1ccccn1 218492050 FXDUVBWPOUNSCA-QZTJIDSGSA-N 360.479 2.956 70 50 FFIA Cc1cc(C)cc(N2CCN(C(=O)c3nc4ccc(F)cc4[nH]3)CC2=O)c1 217508822 RIPRESHCDZPJHW-UHFFFAOYSA-N 366.396 2.808 70 50 FFIA O=C(CCc1nc2ccccc2[nH]1)NCCc1noc(C2CCCC2)n1 217101234 DTDSSBQNXKWYMS-UHFFFAOYSA-N 353.426 2.895 70 50 FFIA O=C(NCCc1noc(C(F)(F)F)n1)c1ccccc1N1CCCC1 217906420 PFXZEBWNRBDAAV-UHFFFAOYSA-N 354.332 2.661 70 50 FFIA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1n[nH]c(=O)c2ccccc12 217682453 ZLBNYOQQTZEYFG-OAHLLOKOSA-N 365.437 2.513 70 50 FFIA O=C(CCc1nc(-c2ccccn2)no1)N1CCO[C@H](c2cccs2)C1 161304403 QJXUJFBVNMRCLN-AWEZNQCLSA-N 370.434 2.726 70 50 FFIA COc1cc(OC)c([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1OC 217889580 KDFAKNRVGCEDPM-JTQLQIEISA-N 358.346 2.882 70 50 FFIA biogenic COC(=O)c1c(F)cccc1S(=O)(=O)N1CCC[C@H]2CCCC[C@H]21 159483348 QHKPWOWRBUMKPB-TZMCWYRMSA-N 355.431 2.956 70 50 FFIA O=c1cc(CO)oc(CN2CCC[C@H](c3nc4ccccc4s3)C2)c1O 218457688 LSRKJFJXLYIWRE-LBPRGKRZSA-N 372.446 2.827 70 50 FFIA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)n1 218401560 CLYYRRDXYNCULP-LJQANCHMSA-N 361.449 2.828 70 50 FFIA CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C1CCC(c2ccccc2)CC1 160565939 BJXYMWXDFDSRBL-DAWZGUTISA-N 364.511 2.501 70 50 FFIA Cc1ccc(C2(C(=O)N[C@@H]3CCOC[C@H]3Oc3ccccn3)CC2)cc1 218180447 FYDSFSPBJUGZSW-QZTJIDSGSA-N 352.434 2.774 70 50 FFIA Cc1c(CN2CCCn3nc([C@H](O)CO)cc3C2)[nH]c2c(Cl)cccc12 217923617 ZVILQBITPCYLTR-GOSISDBHSA-N 374.872 2.758 70 50 FFIA O=[N+]([O-])c1cc(OC(F)(F)F)ccc1OS(=O)(=O)C(F)(F)F 97972950 HNNXGLJQEXWGAX-UHFFFAOYSA-N 355.168 2.722 70 50 FFIA COc1cn(CC(=O)NCCSc2ccc(Cl)cc2)c(C)cc1=O 218404801 LRJOBKGXZLZTDG-UHFFFAOYSA-N 366.870 2.727 70 50 FFIA COC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1ccc(OC)cc1OC 218042130 IMFRSMYOCRHTKV-CYBMUJFWSA-N 360.362 2.833 70 50 FFIA biogenic COC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1ccc(OC)cc1OC 218042198 IMFRSMYOCRHTKV-ZDUSSCGKSA-N 360.362 2.833 70 50 FFIA biogenic CCc1n[nH]c(-c2ccccc2NC(=O)c2ccc(CNC(C)=O)cc2)n1 160882827 KMDOHSVSMWMQBU-UHFFFAOYSA-N 363.421 2.923 70 50 FFIA COc1cn(CC(=O)NCCn2ccc3c(Cl)cccc32)c(C)cc1=O 218324377 ZZWYSZMRHGERSS-UHFFFAOYSA-N 373.840 2.590 70 50 FFIA COc1ccccc1-c1nc(NC(=O)c2cc(-c3ccccn3)n[nH]2)n[nH]1 218470201 NCUHTHRNXGUENK-UHFFFAOYSA-N 361.365 2.518 70 50 FFIA CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCc1ccccn1 218447701 DROHNNUGRVYVRW-APWZRJJASA-N 367.474 2.789 70 50 FFIA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cccc2c1NCCC2 218273211 LIOVKDAICDFDJR-IAGOWNOFSA-N 373.478 2.605 70 50 FFIA O[C@@H](c1ccccc1)c1cc2n(n1)CCCN(CCc1cscn1)C2 217492896 AHLFBWZPAYNFLK-IBGZPJMESA-N 354.479 2.870 70 50 FFIA CC(C)[C@@H](CO)NC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O 217673554 PEXOXQGGJSZJSO-MOPGFXCFSA-N 352.434 2.517 70 50 FFIA biogenic O=S(=O)(Oc1ccccc1I)C(F)(F)F 100008178 AXIDYNSWXPNBLG-UHFFFAOYSA-N 352.071 2.520 70 50 FFIA in-vitro CC(C)NC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 217932797 FIXMBKLODHFEBD-IBGZPJMESA-N 363.417 2.716 70 50 FFIA biogenic COC(=O)C[C@H](c1cc(Cl)c2c(c1)OCO2)c1c(O)cc(C)oc1=O 218042859 IMRHPHAPYZMLPM-SNVBAGLBSA-N 366.753 2.731 70 50 FFIA biogenic Cc1cc2c(N[C@H]3C[C@@H](c4nnc(CN(C)C)n4C)C3)ncnc2s1 218555638 KGGXDZGRKHUJNR-HAQNSBGRSA-N 357.487 2.548 70 50 FFIA C[C@H](O)c1cc2n(n1)CCCN(Cc1ccccc1Cn1cccn1)C2 217917680 MGISZEWFQBELSI-INIZCTEOSA-N 351.454 2.587 70 50 FFIA O=C(N1CCCn2nc(CO)cc2C1)C1(c2ccc(Cl)cc2)CCC1 217851017 DFBSNUFTSVRSLY-UHFFFAOYSA-N 359.857 2.883 70 50 FFIA CCc1nc(C)ccc1OCC(=O)NC[C@@H]1CC(=O)N(C)c2ccccc21 217029391 WKPMPPVIIPACPC-HNNXBMFYSA-N 367.449 2.598 70 50 FFIA O=C(CCc1nc(-c2ccncc2)no1)N[C@H]1CCOC2(CCCC2)C1 159823414 ALFZFCZUCJZGQR-HNNXBMFYSA-N 356.426 2.672 70 50 FFIA COc1ccc(C(=O)N[C@H](C)c2nc(C)cs2)cc1N1CCOCC1 217414663 ZCELIEJQCVFLBW-CYBMUJFWSA-N 361.467 2.788 70 50 FFIA COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc1 218041583 JUHSMNQPMIPWIB-ZDUSSCGKSA-N 372.373 2.940 70 50 FFIA biogenic O=C(NCCC1=CCCCC1)[C@@H]1CC(=O)N(CCc2ccc(O)cc2)C1 217684117 OSUCQEZCIULSCJ-GOSISDBHSA-N 356.466 2.790 70 50 FFIA biogenic Cc1ccc2[nH]c(SCC(=O)N3CCC[C@@H](N4CCCC4=O)C3)nc2c1 217370561 KMOMASHEHQTSDW-CQSZACIVSA-N 372.494 2.577 70 50 FFIA O=C(NS(=O)(=O)c1ccc2c(c1)CCCC2)[C@@H]1OCCc2ccccc21 160059872 YECJTXRBLDXKIA-LJQANCHMSA-N 371.458 2.684 70 50 FFIA CCCCN(Cc1noc(-c2ccsc2)n1)[C@@H]1CCS(=O)(=O)C1 160875390 FUPNCFUAYLWTNK-CYBMUJFWSA-N 355.485 2.587 70 50 FFIA COc1ccc([C@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc1O 218048828 MYAPCOFAPVSUBD-LLVKDONJSA-N 360.362 2.868 70 50 FFIA biogenic Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)N1CCc2ccccc2C1 218515985 PYLUVXAOUJAQEK-IBGZPJMESA-N 366.461 2.843 70 50 FFIA CC(C)CN1C[C@H](C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)CC1=O 218534963 KUPGAKZQFIQAIC-BEFAXECRSA-N 370.497 2.891 70 50 FFIA Cc1nn(CCC(=O)NC[C@H]2CCCN(c3ccccn3)C2)c(C)c1C 218050084 HUANFCQBOZMBHU-GOSISDBHSA-N 355.486 2.626 70 50 FFIA CN(C)[C@@H]1[C@@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)[C@H]2CCO[C@H]21 218342685 HBTZZPKYEQESQN-FVTFTPSCSA-N 350.462 2.730 70 50 FFIA CC(=O)N1CC(Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)=CC1=O 218450282 CEQCPCKSEROHGU-UHFFFAOYSA-N 365.220 2.923 70 50 FFIA CC[C@H](C(=O)NCCc1nc(-c2ccccc2)cs1)N1CCOCC1 218165705 FDEUSSPJNSCFBS-QGZVFWFLSA-N 359.495 2.580 70 50 FFIA O=C(CCc1nc2ccccc2[nH]1)NCCc1noc(-c2ccccc2)n1 217095942 LVGSNSYLBVOXQD-UHFFFAOYSA-N 361.405 2.904 70 50 FFIA NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCC[C@@H]2c2ccco2)c1 160216798 HHHYUXSEYKRWHU-GFCCVEGCSA-N 372.805 2.697 70 50 FFIA Cc1cc(C)nc(NCC(=O)NCCn2ccc3ccc(Cl)cc32)n1 218295691 HGHFIWGQROAFHM-UHFFFAOYSA-N 357.845 2.930 70 50 FFIA O=C(CCCN1Cc2ccccc2C1=O)NC[C@@H]1CCCN2CCCC[C@H]12 217879959 KYNQLAGHPHZDIB-FXAWDEMLSA-N 369.509 2.803 70 50 FFIA biogenic COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)c2ccccc2oc1=O 217636444 TYXWIUAEXKAKPE-ZDUSSCGKSA-N 370.357 2.908 70 50 FFIA biogenic COc1ccc(N(C)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1Cl 160005270 AMEIQOTTXUXNNR-UHFFFAOYSA-N 371.828 2.974 70 50 FFIA Cc1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)cc1Cl 159430914 OGNSCZQNVHSOJE-UHFFFAOYSA-N 353.875 2.946 70 50 FFIA COc1ccc2c(c1)C=C(CN1CCCn3nc([C@H](C)O)cc3C1)CO2 217179839 MZIZZAFOOJHGMZ-AWEZNQCLSA-N 355.438 2.627 70 50 FFIA COC(=O)C[C@@H](c1ccc2nccnc2c1)c1cc2c(cc1O)OCO2 218071601 DNDXFIZWNJASML-LBPRGKRZSA-N 352.346 2.759 70 50 FFIA biogenic Cc1noc(C)c1[C@H]1CCCN1C(=O)Cn1ccc(=O)c2ccccc21 218542379 LZCRKLBRZDMQEE-QGZVFWFLSA-N 351.406 2.970 70 50 FFIA O=C(NC[C@H]1CCCS1(=O)=O)Nc1ccc(OC2CCCC2)cc1 160498430 VCLXKUFUJCXATD-MRXNPFEDSA-N 352.456 2.707 70 50 FFIA Cn1c(CNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)nc2ccccc21 216910029 QIAVXVJRARECNC-JKSUJKDBSA-N 368.481 2.618 70 50 FFIA C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 159605915 DVAAOHZDTJTDIV-SJLPKXTDSA-N 354.450 2.731 70 50 FFIA Cc1ccc2c(c1)c(=O)c(C(=O)N1CCC[C@H](c3ccncn3)C1)cn2C 218072906 OYDKFXZSCRECTJ-HNNXBMFYSA-N 362.433 2.657 70 50 FFIA O=C(Cc1ccsc1)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 217216615 LXBWODNIGHLZQG-IBGZPJMESA-N 353.447 2.611 70 50 FFIA CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCc1ccccn1 218617002 NQFVRTUDTJAAEM-QAPCUYQASA-N 353.447 2.746 70 50 FFIA Cn1nc(C(=O)NCCCc2nnc3ccccn23)cc1-c1cccs1 218265002 FXYSBFORQIHWHM-UHFFFAOYSA-N 366.450 2.554 70 50 FFIA CCN1CCN(Cc2cc(C)cc(CN3C[C@@H]4CC[C@H](C3)[C@@H]4O)c2C)CC1 217188646 XJOYGTFWOOHVBD-NPHXMPSESA-N 371.569 2.644 70 50 FFIA CC[C@H](O)c1cc2n(n1)CCCN(C1CCN(Cc3ccco3)CC1)C2 217169582 JKCWWAWQOHFOQJ-FQEVSTJZSA-N 358.486 2.790 70 50 FFIA C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccnn1C[C@@H]1CCOC1 159685520 PCJXCTZKSOQQCY-HOTGVXAUSA-N 369.469 2.792 70 50 FFIA Cn1ccnc1CC1CCN(C(=O)c2csc([C@@H]3CCCO3)n2)CC1 160822963 RCTIVXZNGKZNTI-HNNXBMFYSA-N 360.483 2.823 70 50 FFIA Cc1cc2c(N[C@H]3C[C@H](c4nnc(CN(C)C)n4C)C3)ncnc2s1 218550473 KGGXDZGRKHUJNR-TXEJJXNPSA-N 357.487 2.548 70 50 FFIA O=C(NCCc1noc(CO)n1)C1(c2ccc(Cl)cc2)CCCCC1 218757711 PJYNIXXLNRVQLV-UHFFFAOYSA-N 363.845 2.776 70 50 FFIA O=C(COc1cccnc1)N1CCCN(c2nc3ccccc3s2)CC1 218666385 XDJJAXULMWGBBY-UHFFFAOYSA-N 368.462 2.809 70 50 FFIA COC(=O)[C@H](CC(C)C)NC(=O)CCn1cc(C(C)=O)c2ccccc21 217766971 RKLDCBOWVMQSSD-KRWDZBQOSA-N 358.438 2.938 70 50 FFIA biogenic CN1CCC(CNC(=O)c2nn(C)c3ccccc23)(c2ccccc2)CC1 218726160 VKEVCWJUIAFHGN-UHFFFAOYSA-N 362.477 2.967 70 50 FFIA Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)N[C@H](CO)c2ccccc2)[nH]n1 218368451 RBABHBDZCQCZRC-GOSISDBHSA-N 367.453 2.934 70 50 FFIA COC(=O)c1nc(NC(=O)c2n[nH]c3c2CCc2ccccc2-3)sc1C 218483246 QBAIDKZWGOGPPL-UHFFFAOYSA-N 368.418 2.979 70 50 FFIA COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc5c(cc43)OCO5)cc2c1 217722849 DABWKHSZFYVNAP-GFCCVEGCSA-N 365.341 2.706 70 50 FFIA biogenic Cc1cc(C(F)(F)F)nn1CCNC(=O)CCc1ccc2c(c1)OCO2 218353798 YQIOVQHSCUXMLV-UHFFFAOYSA-N 369.343 2.688 70 50 FFIA CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)NCCc1ccccn1 218447473 DROHNNUGRVYVRW-QFBILLFUSA-N 367.474 2.789 70 50 FFIA O=C(NCc1nnc2ccccn12)c1cnc2cc(Cl)ccc2c1O 218308412 PFUJUKNSCRPBKS-UHFFFAOYSA-N 353.769 2.567 70 50 FFIA Cc1ccn2c(C(=O)N3CCC[C@@H](COc4cccc(F)c4)C3)nnc2n1 217817211 ZWEMMWLYZDPPPB-CQSZACIVSA-N 369.400 2.503 70 50 FFIA O=C(CC1(n2cccc2)CCOCC1)Nc1ccc(N2CCOCC2)cc1 218290131 MGKNJMHFCKHJOE-UHFFFAOYSA-N 369.465 2.859 70 50 FFIA O=C(c1cc(Cl)c[nH]1)N1CCn2nc([C@@H](O)Cc3ccccc3)cc2C1 218504591 VFRNEJFFNWETJR-SFHVURJKSA-N 370.840 2.797 70 50 FFIA COc1c(Cl)cc(S(=O)(=O)Cl)c(Br)c1[N+](=O)[O-] 100442118 LJAQYVVYZNLRCO-UHFFFAOYSA-N 364.988 2.947 70 50 FFIA in-vitro Cc1cc(C)nc(S[C@@H](C)C(=O)NCCc2nc3ccccc3n2C)n1 217750011 WRPCUAOJLXJZPI-AWEZNQCLSA-N 369.494 2.820 70 50 FFIA C[C@H](NC(=O)c1nc(=O)[nH]c2ccccc12)c1ccccc1-n1cccn1 218677518 GQGIBUPOHTWIOW-ZDUSSCGKSA-N 359.389 2.600 70 50 FFIA NC[C@H]1CCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 160215137 PMTMMXYEAAIKEN-SNVBAGLBSA-N 350.772 2.506 70 50 FFIA O=C(CCc1ccc(F)cc1)N[C@@H]1COCC[C@H]1OCc1ccccn1 218317095 CKWOTKGXGFHYJE-RTBURBONSA-N 358.413 2.644 70 50 FFIA Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CC[C@@H](N)C1 160318642 GJYHXTQLTQYYBZ-CYBMUJFWSA-N 367.280 2.898 70 50 FFIA COc1ccccc1OCCCN1CCN(Cc2ccccc2)C[C@@H](O)C1 217382879 RUDYVQCIOZOSJS-FQEVSTJZSA-N 370.493 2.643 70 50 FFIA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1cc(CC(C)C)nc(N)n1 217208009 CVPGWSKNTMCVAI-KRWDZBQOSA-N 370.501 2.847 70 50 FFIA Cn1c(C2CCN(C(=O)COC[C@H]3CCCCO3)CC2)nc2ccccc21 217708843 GRQYHOJDYCVOKF-QGZVFWFLSA-N 371.481 2.865 70 50 FFIA COc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cc1N1CCOCC1 217708423 UWCCCUPRHWGHFG-SFHVURJKSA-N 367.449 2.904 70 50 FFIA COc1ccc(-c2n[nH]cc2C(=O)N[C@H](CO)c2ccccc2)c(OC)c1 218377639 OYRALADCIANMQS-QGZVFWFLSA-N 367.405 2.557 70 50 FFIA COc1ccc2occ([C@@H]3CC(=O)Oc4cc(C)oc(=O)c43)c(=O)c2c1 217941175 XZCQZQSBFGPWMZ-NSHDSACASA-N 354.314 2.504 70 50 FFIA biogenic O=S(=O)(F)c1ccc(C2=C[C@H](c3ccccc3)n3ncnc3N2)cc1 100679784 AHCUZADLRZYYTM-MRXNPFEDSA-N 356.382 2.992 70 50 FFIA COc1ccc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)c2ccccc12 217816470 IZDRDOJWUPCNKZ-OAHLLOKOSA-N 353.374 2.823 70 50 FFIA biogenic Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(Cc1cccc(Cl)c1)C2 218762684 DFJWWZXCZZGFCF-LJQANCHMSA-N 371.872 2.758 70 50 FFIA O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)F)CC1 1875375244 WHFXIIMXGKWYLP-UHFFFAOYSA-N 355.218 2.858 70 50 FFIA CCCc1cc(CN(C)C(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)n[nH]1 217044957 XOGDWSYMAKUKEH-ZWKOTPCHSA-N 360.502 2.749 70 50 FFIA O=C(NCCc1c[nH]cn1)c1cnc2c(OC(F)(F)F)cccc2c1O 218188219 ABHWOFOFKSTDJA-UHFFFAOYSA-N 366.299 2.535 70 50 FFIA CNC[C@@H]1CCCN1C(=O)/C=C/c1ccc(OCc2cccnc2)cc1 161251579 GEOYIULKTIAMFD-BLRBJFNZSA-N 351.450 2.884 70 50 FFIA C[C@H](Oc1cccc(CO)c1)C(=O)N[C@H]1CCCN(c2ccccc2)C1 159606058 DVAAOHZDTJTDIV-WMZOPIPTSA-N 354.450 2.731 70 50 FFIA CCc1oc2ccccc2c1CN1CCCn2nc([C@@H](O)CO)cc2C1 217207271 OZWFDTDYAFDRAP-SFHVURJKSA-N 355.438 2.623 70 50 FFIA Cc1csc(SCC(=O)N2CCC([C@H](O)c3ccccn3)CC2)n1 218658394 XTAIPCFMPLBTRU-INIZCTEOSA-N 363.508 2.911 70 50 FFIA C[C@H](NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2[nH]1 218527554 DKIUXHZEIHJTQY-JTQLQIEISA-N 367.800 2.683 70 50 FFIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)N1CCc2ccccc2C1 218516069 PYLUVXAOUJAQEK-LJQANCHMSA-N 366.461 2.843 70 50 FFIA CO[C@@H]1CCOC[C@H]1NC(=O)c1cccc(OCc2cccc(F)c2)c1 218784479 WBGVQKQFXCBZNI-RTBURBONSA-N 359.397 2.938 70 50 FFIA COc1cccc2c1CCc1c(C(=O)Nc3n[nH]c(C(C)C)n3)n[nH]c1-2 218540226 QCUSORQWPRDPAF-UHFFFAOYSA-N 352.398 2.678 70 50 FFIA CCC(=O)N1CC[C@@H](C(=O)Nc2ccccc2-c2nc(C(C)C)n[nH]2)C1 159591981 KRAAOKGEEXJPQQ-CYBMUJFWSA-N 355.442 2.792 70 50 FFIA O=C(CC1(Cn2cnnn2)CCCCC1)NCCn1ccc2ccccc21 218477151 RXUXYNZBUXXMDF-UHFFFAOYSA-N 366.469 2.785 70 50 FFIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCc1nc3ccccc3s1)C2 217677150 OUOWLXPHQHHYBH-GFCCVEGCSA-N 356.451 2.521 70 50 FFIA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N(C)CCc1cnn(C)c1)O2 216907201 CMBPVHGVEKRNPF-NRFANRHFSA-N 371.481 2.836 70 50 FFIA O=C(c1ccc(B2Nc3cccc4cccc(c34)N2)cc1)N1CCOCC1 169975169 CZCKMCDIHGGXIJ-UHFFFAOYSA-N 357.222 2.545 70 50 FFIA CCOc1ccc2c(c1)CN(C(=O)Nc1ccnn1C[C@H]1CCOC1)CC2 159402388 KSLMCRAXPTVHQI-OAHLLOKOSA-N 370.453 2.909 70 50 FFIA O=C(NCCC1=CCCCC1)[C@H]1CC(=O)N(CCc2ccc(O)cc2)C1 217684189 OSUCQEZCIULSCJ-SFHVURJKSA-N 356.466 2.790 70 50 FFIA biogenic Cc1[nH]c2c3c(F)cccc3nn2c(=O)c1CCC(=O)Nc1ccccn1 218408732 VVHXZNOSEQXHTE-UHFFFAOYSA-N 365.368 2.590 70 50 FFIA Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H]1c2ccccc2C[C@@H]1O 159889147 KZAPQHYIIDEIFM-ROUUACIJSA-N 350.422 2.709 70 50 FFIA COc1cc2c(cc1CNC(=O)CCc1ccc(F)c(F)c1)OCCO2 218100555 FXMAWXUHSURHQD-UHFFFAOYSA-N 363.360 2.994 70 50 FFIA COc1cc2c(c(OC)c1OC)[C@H](c1ccc3c(c1)OCCO3)CC(=O)O2 218084143 FPUUDNWWKIKCSX-LBPRGKRZSA-N 372.373 2.925 70 50 FFIA biogenic Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)cc1C 218083607 ZPIRZTHSKZHIKL-WOJBJXKFSA-N 355.434 2.762 70 50 FFIA COCCN1CCC[C@@H](CNC(=O)Cc2c(F)ccc(Cl)c2F)C1 218167315 QFSILNQNBPGBKY-LBPRGKRZSA-N 360.832 2.635 70 50 FFIA O=C(CCc1cc(Cl)no1)N1CCN(c2nc3ccccc3o2)CC1 217472766 MAVDNSQRLQHWMG-UHFFFAOYSA-N 360.801 2.751 70 50 FFIA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCc2cccn2C)n1 218219920 DPNZWELSIDPUIB-LJQANCHMSA-N 363.465 2.772 70 50 FFIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 217712148 PQUSZFWTSBKOOR-FRQCXROJSA-N 373.472 2.559 70 50 FFIA biogenic CC(=O)N[C@H](C)Cc1c(C(=O)N(C)CC2CCOCC2)[nH]c2ccccc12 217416405 BRLLUKSUADOXSO-CQSZACIVSA-N 371.481 2.734 70 50 FFIA O=C(NC[C@@H]1CCCCO1)C1CCN(C(=O)c2ccccc2Cl)CC1 217653162 FLCMPXRESSQVHU-HNNXBMFYSA-N 364.873 2.878 70 50 FFIA Cc1ccccc1S(=O)(=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218463973 JCZXSSPHRJZBML-UHYCVJNDSA-N 373.474 2.720 70 50 FFIA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(-n2cccc2)cc1 217932596 ZAYZGKYUQWSJQZ-SFHVURJKSA-N 374.400 2.557 70 50 FFIA biogenic CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1nn(C)c2ccc(C)cc12 218074544 PDWLOCUHTBDGRT-AEFFLSMTSA-N 357.454 2.752 70 50 FFIA O=C(NC[C@@H]1CCCS1(=O)=O)Nc1ccc(OC2CCCC2)cc1 160498295 VCLXKUFUJCXATD-INIZCTEOSA-N 352.456 2.707 70 50 FFIA Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1 218585324 IWUUFOPCGWTGMY-IBGZPJMESA-N 368.481 2.606 70 50 FFIA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1cnc2cnccn12 218400221 ZPMQUBWBDJYMOW-UHFFFAOYSA-N 364.384 2.601 70 50 FFIA O=C(Cc1ccc2c(c1)OCO2)N1CCC2(CC1)CNc1ccccc12 217358984 MEDQGUQMTDQFIU-UHFFFAOYSA-N 350.418 2.944 70 50 FFIA O=C1C[C@@H](C(=O)N2CCCC[C@H]2c2cccnc2)CN1Cc1ccco1 217972695 QYEREGIDYOOQHV-AEFFLSMTSA-N 353.422 2.777 70 50 FFIA biogenic Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H]1c2ccccc2C[C@H]1O 159889267 KZAPQHYIIDEIFM-QZTJIDSGSA-N 350.422 2.709 70 50 FFIA Cn1ccnc1CC1CCN(C(=O)c2csc([C@H]3CCCO3)n2)CC1 160823100 RCTIVXZNGKZNTI-OAHLLOKOSA-N 360.483 2.823 70 50 FFIA COc1cccc(CCC(=O)N2CCCN(Cc3ccccn3)CC2)c1 218231183 MVGNZKDIKUXSSY-UHFFFAOYSA-N 353.466 2.757 70 50 FFIA O=C(Nc1n[nH]c(CCc2ccccc2)n1)c1cc(-c2ccccn2)n[nH]1 218472113 KQPUHXCVJTXENO-UHFFFAOYSA-N 359.393 2.627 70 50 FFIA CC(C)c1nccn1[C@H](C)C(=O)NCCc1noc(-c2ccccc2)n1 217514223 TZVBFRIJAGJMNC-CQSZACIVSA-N 353.426 2.976 70 50 FFIA COc1ccc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)c2ccccc12 217816385 IZDRDOJWUPCNKZ-HNNXBMFYSA-N 353.374 2.823 70 50 FFIA biogenic CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc(-c3ccccc3)n1C)C2 218723527 PUFAQDBHHDOYGB-HXUWFJFHSA-N 364.449 2.988 70 50 FFIA O=C(Cc1ccsc1)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 217216622 LXBWODNIGHLZQG-LJQANCHMSA-N 353.447 2.611 70 50 FFIA CCc1nnc(CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1C 161106914 SSRJBXCTEHKSOI-ZIAGYGMSSA-N 354.376 2.704 70 50 FFIA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2cn[nH]c2c1 218307821 CNEHQDRYPBYXAE-HNNXBMFYSA-N 367.361 2.820 70 50 FFIA O=C(N[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc2c1OCCO2 218536516 ROLPNLSSRONRNQ-LBPRGKRZSA-N 372.808 2.647 70 50 FFIA COc1ccc2ccccc2c1CNc1c(N2CCSCC2)c(=O)c1=O 218422651 RDPKIJURPUDFFJ-UHFFFAOYSA-N 368.458 2.610 70 50 FFIA COc1cccc(N2CCN(C(=O)COc3cccnc3)CC2(C)C)c1 218497670 OZBACHNHSOXFLC-UHFFFAOYSA-N 355.438 2.596 70 50 FFIA CCCN(CC)c1ccc(C(=O)NCc2ccnc(-n3ccnc3)c2)cn1 161460635 WVQPNGOFNGQPRS-UHFFFAOYSA-N 364.453 2.829 70 50 FFIA CN(Cc1n[nH]c2c1CCCCC2)C(=O)COCC(F)(F)C(F)F 218513330 DWWUABIZWDWHTK-UHFFFAOYSA-N 351.344 2.554 70 50 FFIA COC[C@H]1[C@@H](NC(=O)COc2ccc(Cl)cc2Cl)[C@@H]2CCO[C@@H]21 218344715 NDTPRFBNSRVIRB-GREKMHCPSA-N 360.237 2.538 70 50 FFIA Cc1c(C(=O)N2CCCn3nc([C@@H](C)O)cc3C2)[nH]c2c(F)cccc12 217075928 XIDDFODPKCINLZ-GFCCVEGCSA-N 356.401 2.911 70 50 FFIA C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)c1ccccc1-n1cccn1 159703944 VGEOZDOKROBXJS-CQSZACIVSA-N 362.433 2.930 70 50 FFIA Cc1ccn2cc(C(=O)N3C[C@@H]4CC[C@H](C3)C(=O)N4CC3CCC3)nc2c1 216941231 OJKGCCHEZXINBS-SJORKVTESA-N 366.465 2.506 70 50 FFIA COc1ccc(CCNC(=O)CC2(n3cccc3)CCOCC2)cc1OC 218399778 CCKCKUZUACFKIH-UHFFFAOYSA-N 372.465 2.760 70 50 FFIA COCCn1cnnc1CN(C)C(=O)c1cc(C(F)(F)F)ccc1C 218560002 VYAHLHAPJBPXOP-UHFFFAOYSA-N 356.348 2.524 70 50 FFIA Cc1cccc2c1ccn2CCNC(=O)c1ccc(-n2nnnc2C)cc1 218453775 GBNPOBPDZQNYQY-UHFFFAOYSA-N 360.421 2.664 70 50 FFIA CSc1nc(C(=O)NCc2nncn2CCc2ccccc2)cs1 218234738 TYWSADVEVXDDGI-UHFFFAOYSA-N 359.480 2.629 70 50 FFIA COCCn1c(C)cc(C)c(C(=O)Nc2ccc(F)c(F)c2F)c1=O 218613994 APCHXBJYWRSPGO-UHFFFAOYSA-N 354.328 2.781 70 50 FFIA C[C@H](O)c1cc2n(n1)CCN(C(=O)c1csc(Cc3ccccc3)n1)C2 217719508 FRGSXHSFNJHESX-ZDUSSCGKSA-N 368.462 2.640 70 50 FFIA O=C(NS(=O)(=O)Cc1ccccc1Cl)[C@H]1OCCc2ccccc21 161143321 HKTZJVYODHVZNX-INIZCTEOSA-N 365.838 2.600 70 50 FFIA Cc1[nH]c2c3c(F)cccc3nn2c(=O)c1CCC(=O)Nc1ccncc1 218272647 RMTNGCAJPLSNRJ-UHFFFAOYSA-N 365.368 2.590 70 50 FFIA COc1cc2c(c(OC)c1OC)[C@@H](c1ccc3c(c1)OCCO3)CC(=O)O2 218084069 FPUUDNWWKIKCSX-GFCCVEGCSA-N 372.373 2.925 70 50 FFIA biogenic Cn1nc(CC(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc2c1=O 218004594 UXOAJIPSYPFISW-IBGZPJMESA-N 362.433 2.625 70 50 FFIA biogenic O=C1C[C@H](C(=O)N2CCCC[C@H]2c2cccnc2)CN1Cc1ccco1 217972773 QYEREGIDYOOQHV-WMZOPIPTSA-N 353.422 2.777 70 50 FFIA biogenic CCc1nc(C)sc1CNC(=O)c1ccc(N2CCN(C)CC2)cc1 218648438 WHYJZRUOKQJTLW-UHFFFAOYSA-N 358.511 2.696 70 50 FFIA CCOCCn1nc(C)cc1C(=O)NCc1cc(-c2ccccc2)no1 218416526 HWPWNVXNEBJPNG-UHFFFAOYSA-N 354.410 2.813 70 50 FFIA O=C(CCC(=O)NC1CCCC1)NCCc1nc2cc(Cl)ccc2[nH]1 217147665 ILPDIPIVXLZTJR-UHFFFAOYSA-N 362.861 2.714 70 50 FFIA Cn1c([C@H]2CCCN(C(=O)COc3cccnc3)C2)nc2ccccc21 218263958 KFZHUVDQPZXOLZ-HNNXBMFYSA-N 350.422 2.753 70 50 FFIA O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1coc2ccccc12 218319338 SDAFNZCIXHALGV-IEBWSBKVSA-N 352.390 2.932 70 50 FFIA CCc1c(C)nn(CC(=O)N2CCC[C@@H](OCc3cccnc3)C2)c1C 218372920 KEOFBURRFUJJQB-GOSISDBHSA-N 356.470 2.665 70 50 FFIA O=C(CCCC(=O)N1CCCO[C@@H](Cn2cccn2)C1)c1ccccc1 218165896 UNPVBRDLNPGWMG-GOSISDBHSA-N 355.438 2.554 70 50 FFIA CCc1n[nH]c(SCC(=O)NCc2csc(Cc3ccccc3)n2)n1 217571663 UIVZACLWEQMFSM-UHFFFAOYSA-N 373.507 2.823 70 50 FFIA COC(=O)c1sc(NC(=O)CC2(n3cccc3)CCOCC2)nc1C 218212191 XQLYYOVIOKHFLE-UHFFFAOYSA-N 363.439 2.574 70 50 FFIA CNC[C@@H]1CCCN1C(=O)CCc1ccc(OC)c(Br)c1 161222435 XARAIBKUOGXUQD-ZDUSSCGKSA-N 355.276 2.601 70 50 FFIA CCc1nnc(CN2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1C 161107030 SSRJBXCTEHKSOI-UONOGXRCSA-N 354.376 2.704 70 50 FFIA CC1(C)C(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccn2)C1(C)C 216982698 GQVTXTSGRVACRJ-ZBFHGGJFSA-N 355.482 2.713 70 50 FFIA C[C@H]1CCCN([C@@H](C)CNC(=O)Nc2cccc(-c3ncn(C)n3)c2)C1 161402085 VGRSGDCDQCWWFA-GJZGRUSLSA-N 356.474 2.724 70 50 FFIA Cc1c[nH]nc1C1CCN(C(=O)CN2CC[C@@H](c3ccccc3)C2)CC1 216969716 GLDXVXZUUKEOHV-LJQANCHMSA-N 352.482 2.914 70 50 FFIA O=C(CCc1c[nH]c2ccccc12)NC1CCN(C(=O)N2CCCC2)CC1 218761291 BKOQHMWWHBCKQG-UHFFFAOYSA-N 368.481 2.897 70 50 FFIA CCNc1nc(C)c(C(=O)NCc2csc(-c3ncccn3)n2)s1 218364774 IBANPHRSIZBCFY-UHFFFAOYSA-N 360.468 2.727 70 50 FFIA CN(Cc1nccs1)C(=O)c1cccc(OCC(=O)N2CCCCC2)c1 217770913 OIKVURBVLHWDCQ-UHFFFAOYSA-N 373.478 2.807 70 50 FFIA C[C@@H]1CCCCN1CCN(C)Cc1ccc(OCC(N)=O)c(Cl)c1 218760350 AFSUZJUFRJPPMZ-CQSZACIVSA-N 353.894 2.510 70 50 FFIA Cc1cc(COc2ccccc2)oc1C(=O)N1CC[C@]2(CN(C)C(=O)O2)C1 218031329 NXCMTHRIDZQIJJ-FQEVSTJZSA-N 370.405 2.834 70 50 FFIA COc1cc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc2c1OCCO2 217886968 MSVCGNMOLPIYJI-NSHDSACASA-N 356.330 2.636 70 50 FFIA biogenic COCCN1C[C@@H](CNC(=O)c2ccccc2-c2cccc(C)c2)CC1=O 218307088 VKJSFPOWLHQTOI-QGZVFWFLSA-N 366.461 2.887 70 50 FFIA O=C(Nc1n[nH]c(Cc2cc(F)cc(F)c2)n1)c1n[nH]c2c1CCCCC2 218318016 GPEIAYLYBMRKCL-UHFFFAOYSA-N 372.379 2.918 70 50 FFIA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2ccc3cc[nH]c3c2)cn1 218153791 WIMISULONTWJLP-MJGOQNOKSA-N 351.406 2.838 70 50 FFIA Cc1[nH]c2ccccc2c1CC(=O)N1CCCn2nc([C@H](C)O)cc2C1 216971267 KYMNROMPKPVPQE-AWEZNQCLSA-N 352.438 2.701 70 50 FFIA O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCOC[C@H]1OCc1ccccn1 218635305 LBZHOKPUTXBVAD-WOJBJXKFSA-N 365.433 2.596 70 50 FFIA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1cc(Cl)ccc1O 217968840 UQHVYUOZOKYVQG-WHOFXGATSA-N 369.874 2.710 70 50 FFIA biogenic O=C(CCc1nc(-c2ccccn2)no1)N1CCO[C@@H](c2cccs2)C1 161304528 QJXUJFBVNMRCLN-CQSZACIVSA-N 370.434 2.726 70 50 FFIA Cc1ccccc1OC1CCN(C(=O)c2nc(N)nc3c2CCCC3)CC1 218484021 IENVMIMMTCOTGD-UHFFFAOYSA-N 366.465 2.930 70 50 FFIA Cc1cc(C)nc(NCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)n1 218242627 KMSIUSTYWHHEQF-UHFFFAOYSA-N 364.453 2.788 70 50 FFIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)C1=Cc3ccccc3OC=C1)C2 217021566 OYOAYXZQQUITSG-AWEZNQCLSA-N 351.406 2.658 70 50 FFIA COc1ccc2cc([C@@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(=O)[nH]c2c1 217665547 JCDIBPXGLQOHID-GFCCVEGCSA-N 365.341 2.706 70 50 FFIA biogenic N[C@@H]1CCN(C(=O)CCc2nc3cc(Br)ccc3s2)C1 160310177 SGDHVXOTPJZPJW-SNVBAGLBSA-N 354.273 2.551 70 50 FFIA O=C(NC[C@H]1CCCCO1)C1CCN(C(=O)c2ccccc2Cl)CC1 217653245 FLCMPXRESSQVHU-OAHLLOKOSA-N 364.873 2.878 70 50 FFIA COc1cc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc2c1OCO2 217615621 XAASQVCKARZYEG-LBPRGKRZSA-N 366.325 2.971 70 50 FFIA biogenic O=C(OCc1ccccc1)N1C[C@@H](S(=O)(=O)Cl)CC12CCOCC2 1775955164 ZSLRVVWZLVDDQR-AWEZNQCLSA-N 373.858 2.515 70 50 FFIA CC(C)c1nccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)n1 218186838 XFKHPOUWHUZHCM-SJLPKXTDSA-N 355.438 2.704 70 50 FFIA CN(Cc1sc2ccccc2c1Cl)C(=O)c1c[nH]c2ncnn2c1=O 217438491 RYVZDIZRZQVFLF-UHFFFAOYSA-N 373.825 2.558 70 50 FFIA Cc1cccc([C@H]2CCCN2CC(=O)Nc2ccc3c(c2)OCCO3)n1 160462982 CPCBSKCERJGYOT-QGZVFWFLSA-N 353.422 2.937 70 50 FFIA CCOc1ccc(CC(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 218002901 FUWXJWRFWMPDGQ-KRWDZBQOSA-N 358.482 2.877 70 50 FFIA CC(C)n1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c2ccccc2c1=O 218431753 LXMNWANVQSNBSQ-UHFFFAOYSA-N 365.315 2.972 70 50 FFIA O=C1CN(C(=O)c2ccc3[nH]ccc3c2)CCN1Cc1ccc(F)cc1 218606724 NHEOQJNLELVIIF-UHFFFAOYSA-N 351.381 2.792 70 50 FFIA CC(C)[C@@H]1C(=O)NCCN1Cc1ccccc1OCCN1CCCCC1 218543358 PWPASRKTQWLVAB-HXUWFJFHSA-N 359.514 2.508 70 50 FFIA Cc1nnc(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)o1 217970701 VGIRJHXNZCSFCN-UHFFFAOYSA-N 362.433 2.866 70 50 FFIA O=C(NCCc1cscn1)c1ccc2sc3c(c2c1)CCNC3=O 218601013 XNBJTSIHBASWOX-UHFFFAOYSA-N 357.460 2.616 70 50 FFIA CCc1cc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)on1 217861385 IZOYNTXUBPMWBX-HXUWFJFHSA-N 352.438 2.921 70 50 FFIA CNc1cc([C@H]2C[C@@H](NC(=O)c3cc4c(cc3OC)CCC4)C2)ncn1 218376410 MSPSPYBZBBLYOP-SHTZXODSSA-N 352.438 2.692 70 50 FFIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1ccncc1)CC(=O)O2 218076093 YEDWDLRGYCMXGV-LBPRGKRZSA-N 365.341 2.846 70 50 FFIA biogenic Cc1nc(C[C@H]2CCCN(C(=O)Nc3ccn(CC(F)(F)F)n3)C2)no1 160881120 OKVYBRPWUWMNFK-LLVKDONJSA-N 372.351 2.623 70 50 FFIA Cc1nc(O)c(Cl)c(N2CCCn3nc([C@@H](O)C4CCC4)cc3C2)n1 218767302 FQSMQZIUWGHIIX-HNNXBMFYSA-N 363.849 2.584 70 50 FFIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(OC(C)C)cc1 217640170 MSBHYMVZVMBXEN-AWEZNQCLSA-N 371.389 2.780 70 50 FFIA biogenic C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@H]1CCCN(c2ccccc2)C1 159606184 DVAAOHZDTJTDIV-AEFFLSMTSA-N 354.450 2.731 70 50 FFIA COc1cc(OC)c(C(=O)Nc2cccc(S(=O)(=O)F)c2)cc1OC 460091975 LDEYKIPFOMKLNB-UHFFFAOYSA-N 369.370 2.623 70 50 FFIA O=C(COc1ccc(-n2cnnn2)cc1)N1CCC[C@H]1c1ccc(F)cc1 217370832 GCRFABMAPGUVIC-SFHVURJKSA-N 367.384 2.544 70 50 FFIA O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ccc2ncsc2c1 218710608 OKPUVLJXEZNTOR-IAGOWNOFSA-N 369.446 2.795 70 50 FFIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc(OC(F)(F)F)cc2)o1 218154095 RMJPGUQPHIZRDL-LLVKDONJSA-N 357.284 2.560 70 50 FFIA O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1c[nH]nc1C1CCCCC1 218553649 LEDXKWOZNFBGKP-IAGOWNOFSA-N 370.453 2.819 70 50 FFIA CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)Nc1n[nH]c(C(C)C)n1 218492220 UGPJKUNUPLIHGG-LBPRGKRZSA-N 363.491 2.507 70 50 FFIA Cc1cc(C(F)(F)F)nc(CCNC(=O)c2c(C)nc3ccccn23)n1 218414115 GDOIWVICYGVYAT-UHFFFAOYSA-N 363.343 2.732 70 50 FFIA Cn1c(CO)nnc1[C@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 217187395 IZOGXHGDMDBUPK-ZDUSSCGKSA-N 356.451 2.542 70 50 FFIA Cc1c(C(=O)N[C@@H]2COCC[C@@H]2OCCN(C)C)sc2ccccc12 218781838 OFIVHKYPJZWNDQ-CVEARBPZSA-N 362.495 2.675 70 50 FFIA O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NC[C@@H](CO)Cc1ccsc1 217603233 JEFPGDXZXRXLJW-JMLUXXDHSA-N 363.523 2.737 70 50 FFIA COCCN1CCC[C@H](CNC(=O)Cc2c(F)ccc(Cl)c2F)C1 218167381 QFSILNQNBPGBKY-GFCCVEGCSA-N 360.832 2.635 70 50 FFIA COc1ccccc1C[C@@H]1CCCN1CCN1C(=O)NC2(CCCC2)C1=O 159812541 DYVJRQUREBLDNU-KRWDZBQOSA-N 371.481 2.567 70 50 FFIA Cc1ccc2[nH]c(SCC(=O)N3CCC[C@H](N4CCCC4=O)C3)nc2c1 217370650 KMOMASHEHQTSDW-AWEZNQCLSA-N 372.494 2.577 70 50 FFIA O=C(CC1CCN(Cc2ccccc2)CC1)N1CCC(c2nnc[nH]2)CC1 218298415 HHJKKEDHAWBCDV-UHFFFAOYSA-N 367.497 2.813 70 50 FFIA O=C(Cc1c(F)cccc1Cl)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1 218114975 KFZYAMHUVVEDBR-YJQAKTFBSA-N 366.864 2.780 70 50 FFIA Cc1cc(OC(C)(C)C(=O)N[C@H](C)Cn2cncn2)cc(C)c1Cl 218775328 ZDYXYLYGWSVFCG-CYBMUJFWSA-N 350.850 2.911 70 50 FFIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccnc2ccccc12 217846861 LBAYNDDJVVUDRO-CYBMUJFWSA-N 364.357 2.541 70 50 FFIA biogenic O=C(Nc1n[nH]c(CCC2CCCC2)n1)c1cc(-c2ccccn2)n[nH]1 218537488 GJEUYYOVFBRVPL-UHFFFAOYSA-N 351.414 2.965 70 50 FFIA O=C(N[C@@H]1COCC[C@@H]1OCC1CCC1)c1ccc(CN2CCCC2)o1 218262890 YCRHELWOGCGBDZ-MSOLQXFVSA-N 362.470 2.579 70 50 FFIA CCN(CCN(C)C)Cc1cc2cc(C)ccc2nc1N1CCC[C@@H](O)C1 216858397 OXVHFAUTDLRMSZ-HXUWFJFHSA-N 370.541 2.888 70 50 FFIA COCCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1c(OC)ccc3ccccc13)C2 216889977 KFBCSXHVLGIHAI-MSOLQXFVSA-N 368.477 2.918 70 50 FFIA Cc1ccc2c(c1)c(=O)c(C(=O)NCCCc1c(C)noc1C)cn2C 218087500 JNXCUKCOGJPBGO-UHFFFAOYSA-N 353.422 2.814 70 50 FFIA COC(=O)[C@H](CC(C)C)NC(=O)c1cn(C(C)C)c(=O)c2ccccc12 217672092 JIYVAVYUADAIMC-KRWDZBQOSA-N 358.438 2.900 70 50 FFIA biogenic CC(C)Cn1c([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(C)C2)nc2ccccc21 217924747 NIFVIILATPVKBH-YJBOKZPZSA-N 368.481 2.834 70 50 FFIA biogenic CC(C)c1csc(CCNC(=O)C[C@@H]2Oc3ccccc3NC2=O)n1 218249640 SAMRSYMLEYXQLY-HNNXBMFYSA-N 359.451 2.715 70 50 FFIA Nc1nnc(SCC(=O)N2CC[C@H](c3ccccc3Cl)C2)s1 216980603 BVPCOIBUEQIAEK-VIFPVBQESA-N 354.888 2.882 70 50 FFIA O=C(c1cc2c([nH]c1=O)CCC2)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 217892325 BPRHNWZGPCEZJX-KRWDZBQOSA-N 366.396 2.856 70 50 FFIA CN(CCCOc1ccccc1Cl)c1cc(C2CC(N)C2)nc(N)n1 218338712 NRTIDOXJSOZRLP-UHFFFAOYSA-N 361.877 2.822 70 50 FFIA Cc1n[nH]c(C)c1CCCN(C)c1cc([C@H]2C[C@H](N)C2)nc(C2CC2)n1 218506033 JEIAFEPKXCNCDM-IYBDPMFKSA-N 354.502 2.968 70 50 FFIA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1ccccc1-c1ncc[nH]1 218116285 KYHDPWMPWYGTSQ-QZTJIDSGSA-N 355.438 2.947 70 50 FFIA COc1ccc(CN(C)Cc2ccc(OS(=O)(=O)F)cc2)cc1O 1875387593 PBNMIPHRNLUFOW-UHFFFAOYSA-N 355.387 2.626 70 50 FFIA CC(=O)Nc1cccc(NC(=O)CCCc2nnc3ccc(Cl)nn23)c1 218238038 XAERVNSFVPUCKN-UHFFFAOYSA-N 372.816 2.698 70 50 FFIA COc1ccc2nc(CCNC(=O)[C@H](C)Sc3ccccn3)[nH]c2c1 217571431 RSUBOOWTQRJSPJ-LBPRGKRZSA-N 356.451 2.806 70 50 FFIA Cc1nc(O)nc(C)c1CCC(=O)N1CCC2(CC1)CNc1ccccc12 217013393 HCINYOXXMDKESA-UHFFFAOYSA-N 366.465 2.718 70 50 FFIA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CCc1ccsc1 218559589 ZMAWNZLMJUUAAN-SJORKVTESA-N 364.467 2.776 70 50 FFIA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC4(CC3)COC(=O)O4)cc2)n1 218252897 VGKGZKWWAMAWEN-UHFFFAOYSA-N 369.421 2.690 70 50 FFIA CN(CC1(N2CCCCC2)CCCCC1)c1cc(C2CC(N)C2)nc(N)n1 218740183 RVHJWYKPXONQEN-UHFFFAOYSA-N 372.561 2.889 70 50 FFIA Cc1n[nH]c(C)c1CNC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 217175365 MOJSTPVMHKDMIZ-UHFFFAOYSA-N 374.872 2.849 70 50 FFIA O=C(Cn1cnc2ccsc2c1=O)N1CCc2c([nH]c3ccccc23)C1 217927992 RSHSUDMEXYRPAU-UHFFFAOYSA-N 364.430 2.524 70 50 FFIA biogenic COC(=O)[C@H](C)NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 217686841 SIRMMZSFTXADKP-LBPRGKRZSA-N 351.358 2.751 70 50 FFIA biogenic CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCCOc1ccccc1)C2 217574278 SXPWZKWMQKXCGW-LJQANCHMSA-N 357.454 2.918 70 50 FFIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc(OC(F)(F)F)cc2)o1 218154141 RMJPGUQPHIZRDL-NSHDSACASA-N 357.284 2.560 70 50 FFIA CC(=O)c1ccc(OCC(=O)N[C@H](C)c2nncn2C2CCCC2)cc1 218424333 FJZIDCYNRLXHKG-CYBMUJFWSA-N 356.426 2.852 70 50 FFIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CC(Oc2ccccc2)C1 1875382675 LTYDDQGSJUSLGY-UHFFFAOYSA-N 366.370 2.575 70 50 FFIA CNC(=O)[C@H]1CC[C@@](C)(C(=O)N2CC(Oc3ccccc3F)C2)C1(C)C 218105265 MZTIDXPWIOXXTA-VLIAUNLRSA-N 362.445 2.604 70 50 FFIA COC(=O)COc1ccccc1[C@H]1CC(=O)Oc2ccc(C(C)=O)c(O)c21 217814616 FUSVPBMCUONNBD-CQSZACIVSA-N 370.357 2.588 70 50 FFIA biogenic O=S(=O)(F)Oc1ccc(CN2CCc3ccc(O)cc3CC2)cc1 1875387363 DQZKZWZZUXFSJQ-UHFFFAOYSA-N 351.399 2.586 70 50 FFIA NC[C@@H]1CCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 160215252 PMTMMXYEAAIKEN-JTQLQIEISA-N 350.772 2.506 70 50 FFIA O=C(N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1)c1scc2c1OCCO2 218069448 QIAHXMZEAANPFP-FSDCSDTHSA-N 371.458 2.895 70 50 FFIA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1n[nH]c(=O)c2ccccc12 217682369 ZLBNYOQQTZEYFG-HNNXBMFYSA-N 365.437 2.513 70 50 FFIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(OC(C)C)cc1 217640072 MSBHYMVZVMBXEN-CQSZACIVSA-N 371.389 2.780 70 50 FFIA biogenic Cc1ccccc1OC[C@@H](O)C(=O)N1CCCN(C2CCCCC2)CC1 217202573 GNCJENZSLJZRPE-LJQANCHMSA-N 360.498 2.602 70 50 FFIA COc1ccc2c(c1)CN(C(=O)Nc1ccnn1C[C@@H]1CCOC1)CC2 159753430 SLPWVUOLLZPSMC-AWEZNQCLSA-N 356.426 2.518 70 50 FFIA O=C(c1cc2c([nH]c1=O)CCC2)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 217892269 BPRHNWZGPCEZJX-QGZVFWFLSA-N 366.396 2.856 70 50 FFIA O=C1CC[C@@H]2CN(Cc3ccccc3F)CC[C@@H]2N1CCc1cnc[nH]1 216837358 HLGGRHZFSGRRLD-APWZRJJASA-N 356.445 2.604 70 50 FFIA COC(=O)c1ccc([C@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc1 218041679 JUHSMNQPMIPWIB-CYBMUJFWSA-N 372.373 2.940 70 50 FFIA biogenic Cc1noc(C)c1CCC(=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218230520 VIUXCWHTSTVSEG-BPZDKFOGSA-N 370.449 2.787 70 50 FFIA O=C(c1ccc(F)cc1Cl)N1CCC(CO)(CN2CCCC2)CC1 218293047 SRAPOAQYQZTDQH-UHFFFAOYSA-N 354.853 2.790 70 50 FFIA CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)N[C@@H]3CCOC3)CC2)cc1 217542010 BCFXGKXFEIBIDH-GOSISDBHSA-N 358.482 2.741 70 50 FFIA Cn1nnc(-c2ccc(OCC(=O)Nc3nc(C(C)(C)C)cs3)cc2)n1 218202400 JKWQKOUCQBAGPX-UHFFFAOYSA-N 372.454 2.649 70 50 FFIA CN(CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)Cc1cccnc1 217035969 LRGSKFOPPXPSEL-UHFFFAOYSA-N 363.465 2.796 70 50 FFIA O=C(NS(=O)(=O)c1ccc2c(c1)CCCC2)[C@H]1OCCc2ccccc21 160059780 YECJTXRBLDXKIA-IBGZPJMESA-N 371.458 2.684 70 50 FFIA C[C@H](O)c1cc2n(n1)CCCN(Cc1cc(CN3CCCC3)cs1)C2 217141200 SGUMWWRQUDCLSE-HNNXBMFYSA-N 360.527 3.000 70 50 FFIA Cc1nc(CNC(=O)CCc2ccc3c(c2)OCO3)nc2c1CCCC2 218159036 JMJLYUHDKHGFOK-UHFFFAOYSA-N 353.422 2.642 70 50 FFIA COC(=O)COc1ccccc1[C@@H]1CC(=O)Oc2ccc(C(C)=O)c(O)c21 217814531 FUSVPBMCUONNBD-AWEZNQCLSA-N 370.357 2.588 70 50 FFIA biogenic COc1cc([C@@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)ccc1O 217979623 NNTCVWKTGPDDSL-NSHDSACASA-N 360.362 2.868 70 50 FFIA biogenic COCCN1CCC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)C1 218399613 MQDKTZXKFLSHHW-CQSZACIVSA-N 358.404 2.723 70 50 FFIA O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(C(F)(F)F)cn1 218598095 LCANWTMFKWIPMT-UHFFFAOYSA-N 362.311 2.908 70 50 FFIA COc1cccc(SCC(=O)N2CCCN(Cc3ccncc3)CC2)c1 218665272 QXNOYLLBPZCZGS-UHFFFAOYSA-N 371.506 2.917 70 50 FFIA Cc1ccc2c(ccn2CCNC(=O)c2ccccc2-n2nnnc2C)c1 218529156 QUQZCFMUDQGOED-UHFFFAOYSA-N 360.421 2.664 70 50 FFIA COc1ccc(-c2n[nH]c(C)c2CC(=O)Nc2n[nH]c(CC(C)C)n2)cc1 218607697 WIVSFSZRYOFKIT-UHFFFAOYSA-N 368.441 2.892 70 50 FFIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1cccnc1)CC(=O)O2 217759845 UBDAJGFPNSKUAD-LBPRGKRZSA-N 365.341 2.846 70 50 FFIA biogenic O=C(c1ccccc1Oc1ccccc1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 218181085 LEKDZTMNFWTCDN-DJDHSFSDSA-N 353.418 2.683 70 50 FFIA CN1CCN(C)[C@@H](CC(=O)NCCCSCc2ccccc2Cl)C1 217414027 XZBSVYLIWLOWDF-INIZCTEOSA-N 369.962 2.715 70 50 FFIA CCOC(=O)c1c(C)[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 221542629 LIPAMOPSEBTICP-UHFFFAOYSA-N 351.302 2.881 70 50 FFIA Cn1c(C2CCN(C(=O)COC[C@@H]3CCCCO3)CC2)nc2ccccc21 217708764 GRQYHOJDYCVOKF-KRWDZBQOSA-N 371.481 2.865 70 50 FFIA Cc1ncsc1CCNC(=O)C1CCN(C(=O)Cc2ccccc2)CC1 217821730 FQHALRGEONLVOO-UHFFFAOYSA-N 371.506 2.592 70 50 FFIA C[C@H](CCn1cccn1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 159414056 HIGHFFGMEGUSSQ-MRXNPFEDSA-N 362.437 2.632 70 50 FFIA COCCn1cnnc1CNC(=O)c1ccc(-c2cccc(OC)c2)cc1 218361761 JUDBXBJBDOFUBH-UHFFFAOYSA-N 366.421 2.530 70 50 FFIA CCc1nccn1CCC(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 218742522 UXICGTOTGDMXLN-JWWGGVBKSA-N 353.466 2.598 70 50 FFIA Cc1c(NCc2noc(C3CCCCC3)n2)cccc1C(=O)NCCO 161483210 SOKLTWAXCADKLG-UHFFFAOYSA-N 358.442 2.760 70 50 FFIA CCOc1ccc(CC(=O)N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)cc1 218002998 FUWXJWRFWMPDGQ-QGZVFWFLSA-N 358.482 2.877 70 50 FFIA CCc1nc(C)ccc1OCC(=O)NC[C@H]1CC(=O)N(C)c2ccccc21 217029433 WKPMPPVIIPACPC-OAHLLOKOSA-N 367.449 2.598 70 50 FFIA CC(C)Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)on1 218578326 XRKOPQBIIJDWNA-SJORKVTESA-N 362.401 2.979 70 50 FFIA Cc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)Cc1ccccc1F 216938172 JYKDIRWWPCASIA-WBVHZDCISA-N 356.445 2.523 70 50 FFIA O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1ccc2[nH]ccc2c1 218262175 ZPJKAWMMKUNEKL-KRWDZBQOSA-N 362.389 2.617 70 50 FFIA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1n[nH]c3ccc(C)cc13)C2 216776157 NMMGRCRKDJVDII-CVEARBPZSA-N 366.465 2.901 70 50 FFIA CC(C)CCn1cnc2ccc(NC(=O)c3n[nH]c4c3CCC4)cc2c1=O 218463189 DDLJGPOUXDQDOR-UHFFFAOYSA-N 365.437 2.907 70 50 FFIA O=S(=O)(Cl)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 139611685 VBZLCEHJLXBBHR-UHFFFAOYSA-N 355.824 2.806 70 50 FFIA COc1ccc(NC(=O)C[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 217634797 KIVRJHIKIDGVKY-HNNXBMFYSA-N 357.362 2.953 70 50 FFIA biogenic CC(=O)N1CC(Nc2ccc(O)c(NC(=O)C3CCCCC3)c2)=CC1=O 218542331 OPRQQEYZYFHNJD-UHFFFAOYSA-N 357.410 2.596 70 50 FFIA COc1ccc2c(c1)CN(C(=O)Nc1ccnn1C[C@H]1CCOC1)CC2 159753570 SLPWVUOLLZPSMC-CQSZACIVSA-N 356.426 2.518 70 50 FFIA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)CCCOc1ccccc1)C2 217574364 SXPWZKWMQKXCGW-IBGZPJMESA-N 357.454 2.918 70 50 FFIA O=C(NCc1ccc(Cl)cc1Cl)N1CCCn2nc(CO)cc2C1 217190752 BFZBJROUVCURLO-UHFFFAOYSA-N 369.252 2.798 70 50 FFIA CCSc1ccc(C(=O)N2CCN(Cc3nccn3C)CC2)s1 217526546 QTDTVXQBXXXNOS-UHFFFAOYSA-N 350.513 2.552 70 50 FFIA C[C@H](NC(=O)CCC(=O)Nc1ccccc1)c1nc(-c2ccccn2)no1 218593727 SWBIUKATYCXOIB-ZDUSSCGKSA-N 365.393 2.728 70 50 FFIA CC(=O)N1CCC(C(=O)N[C@@H](CCn2ccnc2C)c2ccccc2)CC1 218708733 LXKPJGXEBFNNKR-FQEVSTJZSA-N 368.481 2.698 70 50 FFIA COc1cc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc(OC)c1O 217665924 NDNBLXKEDJRUAL-GFCCVEGCSA-N 368.341 2.957 70 50 FFIA biogenic O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccn(-c2ccc(F)cc2)n1 460088941 DNQNKFXXAHVIKW-UHFFFAOYSA-N 363.345 2.922 70 50 FFIA Cn1cc(CCC(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)cn1 218697871 KSPSNJOIHDZEMC-IAYYMHMVSA-N 364.449 2.529 70 50 FFIA Cc1nc(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc(C2CC2)n1 160088153 BWDOBBYMMNYUJY-OAHLLOKOSA-N 359.474 2.679 70 50 FFIA COC(=O)N1CCCC[C@H]1C(=O)N1CCC(c2nc(C(C)C)no2)CC1 218643855 ITDJOLUUWBOCKS-AWEZNQCLSA-N 364.446 2.520 70 50 FFIA Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382870 UYIDRNOTLIEQFF-OAHLLOKOSA-N 367.402 2.987 70 50 FFIA Cc1ccc2oc(=O)n(CCC(=O)N(C)[C@@H](C)c3c(C)n[nH]c3C)c2c1 217041781 QIAOEFTWWUXCQG-AWEZNQCLSA-N 356.426 2.853 70 50 FFIA CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1 59167870 BNLMSZWJEWOLOK-LLVKDONJSA-N 351.877 2.567 70 50 FFIA COc1cccc2c1CC[C@@H]2NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 161314293 JUFUKSMQZFIFFN-YOEHRIQHSA-N 356.426 2.880 70 50 FFIA COc1ccc(-c2noc([C@@H](C)NC(=O)CSc3ncccn3)n2)cc1 218216232 KSTYPOZXIPQVOP-LLVKDONJSA-N 371.422 2.505 70 50 FFIA COc1cccc(OC[C@@H]2CCCN(C(=O)c3cc(=O)cc(C)o3)C2)c1 217846626 GLQLTRHFNGWZQW-OAHLLOKOSA-N 357.406 2.888 70 50 FFIA O=C(COc1ccc(-n2cnnn2)cc1)N1CCC[C@@H]1c1ccc(F)cc1 217370767 GCRFABMAPGUVIC-GOSISDBHSA-N 367.384 2.544 70 50 FFIA COc1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1-n1nc(C)cc1C 218310425 SSRRHSVUDILMJG-GOSISDBHSA-N 365.433 2.961 70 50 FFIA O=C(CN1CCCCC1)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 218367587 NJZQPVBLOGDIAP-IAYYMHMVSA-N 353.466 2.649 70 50 FFIA C[C@@H](NC(=O)CN1CCOc2ccccc2C1)c1ccc2c(c1)OCCO2 217599465 SZMWIXPRTVWNKY-OAHLLOKOSA-N 368.433 2.530 70 50 FFIA CCCOc1c(CN2CCn3nc(CO)cc3C2)cc(Cl)cc1OC 217207224 QFRVYXZEUZYEFI-UHFFFAOYSA-N 365.861 2.842 70 50 FFIA CC(C)c1cc(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)nc(N)n1 217468148 UNCXCRQKIBDYPB-IBGZPJMESA-N 368.481 2.638 70 50 FFIA O=C1CC[C@@H]2CN(Cc3cccc(F)c3)CC[C@@H]2N1CC1CCNCC1 216888616 NEMOGFOMUWIWJC-QUCCMNQESA-N 359.489 2.638 70 50 FFIA CCOC(=O)c1csc(NC(=O)c2cnc3ccc(OC)cc3c2O)n1 218310089 BDSHKZCSADJVDT-UHFFFAOYSA-N 373.390 2.835 70 50 FFIA COc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c1F 218604423 WOEJSYJUYAVJIE-SJLPKXTDSA-N 359.397 2.938 70 50 FFIA C[C@@H](CNC(=O)Nc1cccc(-c2ncn(C)n2)c1)N1CCC[C@@H](C)C1 161401970 VGRSGDCDQCWWFA-CABCVRRESA-N 356.474 2.724 70 50 FFIA O=C(CN1CCc2ccccc2C1)N[C@H](c1ccccc1)[C@H]1C[C@H](O)C1 218267559 VABWVJZWDMYJAR-RZUBCFFCSA-N 350.462 2.673 70 50 FFIA COC(=O)C[C@@H](c1cc(Cl)c2c(c1)OCO2)c1c(O)cc(C)oc1=O 218042948 IMRHPHAPYZMLPM-JTQLQIEISA-N 366.753 2.731 70 50 FFIA biogenic O[C@H](c1ccccc1)c1cc2n(n1)CCCN(CCc1cscn1)C2 217492805 AHLFBWZPAYNFLK-LJQANCHMSA-N 354.479 2.870 70 50 FFIA COc1cc([C@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)ccc1O 217979697 NNTCVWKTGPDDSL-LLVKDONJSA-N 360.362 2.868 70 50 FFIA biogenic COc1ccccc1-c1nc(NC(=O)c2cnc3ccccc3c2O)n[nH]1 218183463 HZENPMJQESXNSM-UHFFFAOYSA-N 361.361 2.986 70 50 FFIA O=C(CN1CC[C@@H](c2ccccc2)C1)NCc1nncn1C1CCCCC1 218155392 VUGILBKLVLIMKO-GOSISDBHSA-N 367.497 2.889 70 50 FFIA CCOc1ncccc1C(=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 218681117 CDAINDPTMNYXDH-SJORKVTESA-N 360.385 2.586 70 50 FFIA O=C(Cn1cnc(-c2ccccc2)c1)NC[C@@H]1CCCN2CCCC[C@H]12 217808981 KVXPQSBAOWYHMO-AZUAARDMSA-N 352.482 2.931 70 50 FFIA biogenic O=C(Cc1c(F)cccc1Cl)N[C@@H]1COCC[C@H]1Oc1ccccn1 218306293 RZMRLAVYTXISFO-HZPDHXFCSA-N 364.804 2.769 70 50 FFIA CCc1c(C(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)[nH]c2ccccc12 218156320 PSVKQJBMIWTHNB-WFZFXDGQSA-N 352.438 2.706 70 50 FFIA Cc1cc(C)nc(S[C@H](C)C(=O)NCCc2nc3ccccc3n2C)n1 217750091 WRPCUAOJLXJZPI-CQSZACIVSA-N 369.494 2.820 70 50 FFIA Cn1ccnc1[C@H](O)C1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1 218585398 IWUUFOPCGWTGMY-LJQANCHMSA-N 368.481 2.606 70 50 FFIA CC[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1 59167871 BNLMSZWJEWOLOK-NSHDSACASA-N 351.877 2.567 70 50 FFIA O=C(N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc2c1OCCO2 218536447 ROLPNLSSRONRNQ-GFCCVEGCSA-N 372.808 2.647 70 50 FFIA O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1ccccc1C(F)(F)F 159375970 UIPWXQZBZKGAES-LBPRGKRZSA-N 371.384 2.658 70 50 FFIA Cc1cc(OC(C)(C)C(=O)N[C@@H](C)Cn2cncn2)cc(C)c1Cl 218775232 ZDYXYLYGWSVFCG-ZDUSSCGKSA-N 350.850 2.911 70 50 FFIA COC(=O)[C@H](Cc1ccccc1)NC(=O)c1sc(-n2cccc2)nc1C 218302994 UWTZDWFRKKLWDC-HNNXBMFYSA-N 369.446 2.756 70 50 FFIA Cc1nc(CC(C)C)cc(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)n1 218200098 AQMVGFUJYOWQEH-FQEVSTJZSA-N 368.481 2.964 70 50 FFIA COCCn1c([C@H](C)NC(=O)CCCn2cccn2)nc2ccccc21 218187128 PYGKHOLMCOTQPU-HNNXBMFYSA-N 355.442 2.537 70 50 FFIA Cc1[nH]c2ccccc2c1CC(=O)NCCc1noc(C(F)(F)F)n1 217883170 WJAJGYCAENQYQQ-UHFFFAOYSA-N 352.316 2.780 70 50 FFIA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1cc2sccc2[nH]1 218057596 QKPOKHBOOSVTCA-KGLIPLIRSA-N 363.464 2.790 70 50 FFIA COCCn1c(C)cc(C)c(C(=O)N2CCCC[C@H]2c2cccnc2)c1=O 217987652 YLKPZJYPVSPSNZ-SFHVURJKSA-N 369.465 2.874 70 50 FFIA biogenic O=C(COc1ccccc1Cl)NC1CCN(C(=O)N2CCCC2)CC1 217987933 OVYRRZCDFOVCSE-UHFFFAOYSA-N 365.861 2.515 70 50 FFIA COc1cc2cc(C(=O)N[C@H](CO)Cc3ccccc3)[nH]c2cc1OC 217593616 UDOSXDXLWFMELH-HNNXBMFYSA-N 354.406 2.519 70 50 FFIA biogenic COc1ccc2c(ccn2CCNC(=O)c2cc(-c3ccccn3)n[nH]2)c1 218465136 GCPWUSXKUNJHIV-UHFFFAOYSA-N 361.405 2.865 70 50 FFIA Cc1ccc2c(c1)c(=O)c(C(=O)N1CCC[C@@H](c3ccncn3)C1)cn2C 218072824 OYDKFXZSCRECTJ-OAHLLOKOSA-N 362.433 2.657 70 50 FFIA CCn1ccnc1CN(C)C(=O)CNC(=O)c1cc(Cl)ccc1Cl 218564522 JOXIVCSNJSTQOG-UHFFFAOYSA-N 369.252 2.598 70 50 FFIA O=C1CC[C@@H]2CN(Cc3cccs3)CC[C@@H]2N1CCCn1ccnc1 216970536 AQKFSKAQDGEKCG-AEFFLSMTSA-N 358.511 2.848 70 50 FFIA COc1cccc(OC[C@H]2CCCN(C(=O)c3cc(=O)cc(C)o3)C2)c1 217846696 GLQLTRHFNGWZQW-HNNXBMFYSA-N 357.406 2.888 70 50 FFIA C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1nnc(-c2ccccc2)o1 217691581 XTGOPYXMSYXHIA-LBPRGKRZSA-N 367.361 2.549 70 50 FFIA CCN1CCCN(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)CC1 159866887 RXEBFSASOBCXMQ-UHFFFAOYSA-N 363.849 2.627 70 50 FFIA O=C(N1CCn2nc([C@@H](O)C3CC3)cc2C1)C1(c2ccccc2F)CC1 218284008 XPSAPNMFJFPPSP-SFHVURJKSA-N 355.413 2.540 70 50 FFIA COc1ccc2[nH]c(C(=O)N[C@@H]3CCOC[C@H]3OCC3CCC3)cc2c1 218137138 GEPKLKBUVKGGGR-IEBWSBKVSA-N 358.438 2.881 70 50 FFIA Cc1ccnn1CC(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C1 216920622 KOXKZLGZNYMJJA-MSOLQXFVSA-N 366.465 2.604 70 50 FFIA O=C(CCc1ccc(-c2ccccc2)cc1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 218135965 WAPRURZYNAYJEW-ZDNVTZCJSA-N 365.473 2.876 70 50 FFIA COc1cc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc2c1OCCO2 217907167 RLOXSVOKWZRVST-ZDUSSCGKSA-N 370.357 2.816 70 50 FFIA biogenic COC[C@@H](NC(=O)C1(c2ccc(OC)cc2)CCCC1)c1ccnn1C 218560122 XMAFVQQIHXOXIU-QGZVFWFLSA-N 357.454 2.744 70 50 FFIA COc1ccc(-c2cc(C(=O)N[C@H](CO)c3ccccc3)[nH]n2)c(OC)c1 218149399 RYPXEIGWBIGHSU-GOSISDBHSA-N 367.405 2.557 70 50 FFIA C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cnc3c(c2)ncn3C)CC1 159856191 VYAYIMGBUTWJHX-HNNXBMFYSA-N 363.465 2.924 70 50 FFIA CN(C(=O)NCCc1cscn1)[C@@H]1CCCN(c2ccccc2)C1=O 159612611 QNJCHHUROIXZRA-MRXNPFEDSA-N 358.467 2.523 70 50 FFIA Cn1ncnc1CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 218421670 OJDMWRBLDYVTPE-UHFFFAOYSA-N 366.265 2.825 70 50 FFIA CC(C)CN1C[C@@H](C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)CC1=O 218535049 KUPGAKZQFIQAIC-KXBFYZLASA-N 370.497 2.891 70 50 FFIA COc1cncc([C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]2C[C@H](O)C2)c1 218685665 JPMLBUWBWSHPTQ-SIXWZSSISA-N 351.406 2.814 70 50 FFIA CC(C)(C)c1ccc(C(=O)Nc2cncc(OS(=O)(=O)F)c2)cn1 1875382739 OLRXUQJDFJWDJC-UHFFFAOYSA-N 353.375 2.620 70 50 FFIA Cc1[nH]c2ccccc2c1CC(=O)NCCc1noc([C@H]2CCCO2)n1 217966401 RBXWQBUMLRSTOY-MRXNPFEDSA-N 354.410 2.612 70 50 FFIA CO[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cccc(OCCCN3CCOCC3)c1)C2 217071544 GLGVSNOETDZBOQ-XVAYZXCPSA-N 374.525 2.645 70 50 FFIA CCc1noc(C)c1CS(=O)(=O)c1cc2c(cc1Cl)OCCO2 160372464 YOAVIAACSUBUAR-UHFFFAOYSA-N 357.815 2.944 70 50 FFIA Cc1ccc(C)c(OCCCN(C)c2cc(C3CC(N)C3)nc(N)n2)c1 218063075 IUUUVHJJDLOZGH-UHFFFAOYSA-N 355.486 2.786 70 50 FFIA COc1ccc(CNc2c(NCc3ccccc3)c(=O)c2=O)cc1OC 218140765 RCKXYNRDUNFWHR-UHFFFAOYSA-N 352.390 2.524 70 50 FFIA O=C(Cc1ccc(F)cc1)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218114569 SQAZHDPBBMBVBJ-IAYYMHMVSA-N 355.409 2.932 70 50 FFIA COc1cccc2c1CC[C@H]2NC(=O)Nc1cnn(C[C@H]2CCCO2)c1 161314643 JUFUKSMQZFIFFN-RHSMWYFYSA-N 356.426 2.880 70 50 FFIA CC(=O)N1CC(Nc2ccc(Cl)c(Cn3nc(C)cc3C)c2)=CC1=O 218566170 YQSIVZZKIVTCCS-UHFFFAOYSA-N 358.829 2.886 70 50 FFIA Cc1cccc(-c2n[nH]cc2C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c1 218154736 QHVHGSJTSHDANP-MSOLQXFVSA-N 355.438 2.699 70 50 FFIA CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)NCc1ccccn1 218616756 NQFVRTUDTJAAEM-MAUKXSAKSA-N 353.447 2.746 70 50 FFIA COCCn1c(CNC(=O)c2cc(-c3ccco3)n[nH]2)nc2ccccc21 218572713 QFYBYRCJICFPGY-UHFFFAOYSA-N 365.393 2.596 70 50 FFIA O=C(NCCc1c[nH]cn1)c1cnc2ccc(OC(F)(F)F)cc2c1O 218371480 JYNHXFMBPUQBSH-UHFFFAOYSA-N 366.299 2.535 70 50 FFIA Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)CCc2ccc(F)cc2)cn1 218390758 ULMHVUPGDJULOG-MOPGFXCFSA-N 358.413 2.814 70 50 FFIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)CSc1cn(C)c3ccccc13)C2 218317970 LYWVIMVFGWZTKS-CYBMUJFWSA-N 370.478 2.563 70 50 FFIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)C1=Cc3ccccc3OC=C1)C2 217021521 OYOAYXZQQUITSG-CQSZACIVSA-N 351.406 2.658 70 50 FFIA Cc1nc([C@H](C)NC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)cs1 216993722 RGZAXOIDFSCPBX-NSHDSACASA-N 374.445 2.902 70 50 FFIA O=S(=O)(F)c1ccc(C2=C[C@@H](c3ccccc3)n3ncnc3N2)cc1 100679779 AHCUZADLRZYYTM-INIZCTEOSA-N 356.382 2.992 70 50 FFIA CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)Nc1n[nH]c(C(C)C)n1 218492291 UGPJKUNUPLIHGG-GFCCVEGCSA-N 363.491 2.507 70 50 FFIA COc1ccc(Cn2nc(-c3ccccc3)nc2[C@@H]2CCC(=O)NC2)cc1 217390156 GSHAIYGLTICTPD-QGZVFWFLSA-N 362.433 2.996 70 50 FFIA COc1ccccc1N1C[C@H](C(=O)NCCCc2scnc2C)CC1=O 218103948 SDWUYFHVXQKFON-CQSZACIVSA-N 373.478 2.562 70 50 FFIA COc1cccc2c1CC[C@H]2NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 161314415 JUFUKSMQZFIFFN-WMLDXEAASA-N 356.426 2.880 70 50 FFIA O=C(CN1CCCn2nc([C@H](O)C3CC3)cc2C1)NC1CCCCCCC1 218023041 UUVNZXZECCEWNP-OAQYLSRUSA-N 374.529 2.761 70 50 FFIA Cc1cc(C)n(CCCN(C)C(=O)c2c3c(nc4onc(C)c24)CCC3)n1 218569111 LJPNWXQFATVMTD-UHFFFAOYSA-N 367.453 2.996 70 50 FFIA O=C(CCC(=O)NC1CCN(c2ccccc2F)CC1)NC1CCCC1 218713988 ZPCGXLFSSXNSLW-UHFFFAOYSA-N 361.461 2.750 70 50 FFIA O=C([C@H]1CSCN1C(=O)Cc1cc2ccccc2s1)N1CCCC1 218123439 FJKNJEJCVDBMRH-OAHLLOKOSA-N 360.504 2.968 70 50 FFIA O=C(Cc1ccn(-c2ccccc2)n1)Nc1cccc(S(=O)(=O)F)c1 460097468 ZXPDQXSGBFEMPP-UHFFFAOYSA-N 359.382 2.712 70 50 FFIA CO[C@@H](C)c1noc(CCC(=O)N2C[C@H]3CCCN3Cc3ccccc32)n1 160130519 RNURUHSVNBDKDI-GOEBONIOSA-N 370.453 2.721 70 50 FFIA Cc1cc(C)nc(NCC(=O)NCc2nc3ccccc3n2C(C)C)n1 218188827 RYAQVZXWIVDCBV-UHFFFAOYSA-N 352.442 2.752 70 50 FFIA CC(C)C[C@H](NC(=O)c1ccn2nnnc2c1)c1nc2ccccc2n1C 218227508 XHWXPZDXQWOXDW-HNNXBMFYSA-N 363.425 2.528 70 50 FFIA O=C(Nc1cccc2c(S(=O)(=O)Cl)cccc12)N1CCOCC1 95697868 PSJANEZGJOPABE-UHFFFAOYSA-N 354.815 2.631 70 50 FFIA O=C(Cc1ccsc1)N1CCn2nc([C@@H](O)Cc3ccccc3)cc2C1 218186045 ITMNVDIZRZGBEH-IBGZPJMESA-N 367.474 2.806 70 50 FFIA COc1ccccc1N1CC[C@H](NC(=O)c2cc(C)n(C(C)(C)C)n2)C1 161175262 UGIFDBMSXXRNRC-HNNXBMFYSA-N 356.470 2.964 70 50 FFIA Cc1cc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c(C)n1Cc1ccccc1 160445017 XQNBRUADJUOMDU-HXUWFJFHSA-N 367.493 2.746 70 50 FFIA Cc1ncsc1CCN(C)C(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 217594650 XUTIVMMGKDHJEW-JKSUJKDBSA-N 363.527 2.881 70 50 FFIA Cc1ccccc1CSCC(=O)N1CCCO[C@@H](CN2CCCC2)C1 218754179 OTBMLYNZPOBEBK-IBGZPJMESA-N 362.539 2.942 70 50 FFIA COc1cccc2c1CCN(C(=O)Nc1ccnn1C[C@H]1CCOC1)C2 159829380 DARANTPSAADJEB-CQSZACIVSA-N 356.426 2.518 70 50 FFIA Cc1[nH]c2ccccc2c1CC(=O)N1CCCn2nc([C@@H](C)O)cc2C1 216971254 KYMNROMPKPVPQE-CQSZACIVSA-N 352.438 2.701 70 50 FFIA C[C@@H](CCn1cccn1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 159413900 HIGHFFGMEGUSSQ-INIZCTEOSA-N 362.437 2.632 70 50 FFIA Cc1cc(=O)cc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)o1 217383239 JPJKKWWNKXQVKF-UHFFFAOYSA-N 356.466 2.675 70 50 FFIA Cc1cc2c(cc1C(=O)NCc1ccc3c(c1)nc(C)n3C)OCCO2 218395109 JOCZHYPWWYKCSB-UHFFFAOYSA-N 351.406 2.891 70 50 FFIA CCCC(=O)Nc1c(OS(=O)(=O)C(F)(F)F)cccc1[N+](=O)[O-] 140112818 WJZVMECGCRHDJT-UHFFFAOYSA-N 356.278 2.562 70 50 FFIA O=C(CN1CCCn2nc([C@@H](O)C3CC3)cc2C1)NC1CCCCCCC1 218022956 UUVNZXZECCEWNP-NRFANRHFSA-N 374.529 2.761 70 50 FFIA CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)N[C@H]3CCOC3)CC2)cc1 217542077 BCFXGKXFEIBIDH-SFHVURJKSA-N 358.482 2.741 70 50 FFIA COc1cccc([C@H]2CCN(C(=O)c3nnc4n3CCCCC4)C2)c1OC 216969466 WNXSKXALSBWCSJ-AWEZNQCLSA-N 370.453 2.651 70 50 FFIA O=C(NCCc1ccc(OS(=O)(=O)F)cc1)c1ccc(Cl)cc1 1875368239 AZTNLNJBBRLCGW-UHFFFAOYSA-N 357.790 2.906 70 50 FFIA COC(=O)C[C@@H](c1ccco1)c1oc(CN2CCCCC2)cc(=O)c1O 217892393 VTBVGVSRBABRAK-AWEZNQCLSA-N 361.394 2.619 70 50 FFIA biogenic O=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)c1ccccc1S(=O)(=O)Cc1ccccc1 217596081 NBWCZDCKRNKGSM-NXHRZFHOSA-N 371.458 2.568 70 50 FFIA Cc1ccc2[nH]c(SCC(=O)NCCCn3c(C)cccc3=O)nc2c1 217169001 WQCCVUGBHRNXIY-UHFFFAOYSA-N 370.478 2.640 70 50 FFIA COc1cccc2c1ccn2CCNC(=O)c1cc(-c2ccccn2)n[nH]1 218615599 WFLHZVHBMOLFBX-UHFFFAOYSA-N 361.405 2.865 70 50 FFIA O=C(Nc1cccc(OCCF)c1)[C@@H]1CCCN1C(=O)c1ccccn1 160546769 VSJNIIHOBPHFAE-KRWDZBQOSA-N 357.385 2.673 70 50 FFIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc(Oc3ccccc3)o1)C2 217189961 OYXMKNWCPFBLMB-CYBMUJFWSA-N 353.378 2.978 70 50 FFIA CC(C)CNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 217832273 ANRXRCXXQUVYAV-IBGZPJMESA-N 363.417 2.574 70 50 FFIA biogenic COCCN1C[C@H](CNC(=O)c2ccccc2-c2cccc(C)c2)CC1=O 218307153 VKJSFPOWLHQTOI-KRWDZBQOSA-N 366.461 2.887 70 50 FFIA OC[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(Oc3ccccc3)cc1)C2 218102508 MLNSUWSJJDVXAZ-OAQYLSRUSA-N 365.433 2.717 70 50 FFIA COc1cc2c(cc1OC)C(=O)N(c1ccc(S(=O)(=O)Cl)cc1)C2 103570218 JGILUZFVCJOPOG-UHFFFAOYSA-N 367.810 2.792 70 50 FFIA CC[C@@H](O)c1cc2n(n1)CCN(CCc1nc3ccc(Cl)cc3[nH]1)C2 217471172 PFTIRODOSWTMRW-QGZVFWFLSA-N 359.861 2.915 70 50 FFIA CCOc1cc(NC(=O)N2CCC(Cn3ccnn3)CC2)ccc1OC 160995550 OLTNQNXJRFKDAV-UHFFFAOYSA-N 359.430 2.630 70 50 FFIA Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCc2ccccc2C1 218058465 YAZYZXIXUNELGW-UHFFFAOYSA-N 367.493 2.635 70 50 FFIA biogenic Cc1ccc2c(c1)c(CNC(=O)c1c(C)[nH]c3c1C(=O)CCC3)nn2C 218047670 XSNPSRGZXFJOHZ-UHFFFAOYSA-N 350.422 2.967 70 50 FFIA O=C(CCc1ccc(-n2cnnc2)cc1)NC[C@@H]1CCCN2CCCC[C@H]12 217751368 VCWGVWIRWMDBBV-AZUAARDMSA-N 367.497 2.581 70 50 FFIA biogenic CC(=O)c1c(C)nn(CCC(=O)N2CCCC[C@@H]2CCn2ccnc2)c1C 218655536 BDNAMVVBXHHDOZ-GOSISDBHSA-N 371.485 2.761 70 50 FFIA CC(=O)c1c(C)nn(CCC(=O)N2CCCC[C@H]2CCn2ccnc2)c1C 218655604 BDNAMVVBXHHDOZ-SFHVURJKSA-N 371.485 2.761 70 50 FFIA C[C@H](Oc1cccc(CO)c1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 159605768 DVAAOHZDTJTDIV-FUHWJXTLSA-N 354.450 2.731 70 50 FFIA CCOCCOc1cccc(C(=O)N2CCC(c3noc(C)n3)CC2)c1 217990853 XPFQMXOCGITOHH-UHFFFAOYSA-N 359.426 2.813 70 50 FFIA CCn1nccc1C(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 218582626 ODZWZDZVSQJKTP-KJXMEXGPSA-N 350.422 2.693 70 50 FFIA CCCNC(=O)c1cccc(NC(=O)NC[C@]2(O)CCc3ccccc32)c1 159797806 ZGWUCPKIKVBNOT-OAQYLSRUSA-N 367.449 2.782 70 50 FFIA C[C@H](O)c1cc2n(n1)CCN(C(=O)CSc1cn(C)c3ccccc13)C2 218318046 LYWVIMVFGWZTKS-ZDUSSCGKSA-N 370.478 2.563 70 50 FFIA CCc1nccn1CCC(=O)NCCc1csc(-c2ccncc2)n1 218475490 GBBWJASWLBKOAA-UHFFFAOYSA-N 355.467 2.713 70 50 FFIA CC(C)c1cc(C(=O)N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)no1 218626805 CNIWGNFJSZUXIS-IBGZPJMESA-N 366.421 2.732 70 50 FFIA COc1cc2c(cc1OC)[C@@H](c1cccnc1)N(C(=O)c1cc[nH]n1)CC2 217704170 OYHOGBZQJXCONC-LJQANCHMSA-N 364.405 2.610 70 50 FFIA COc1ccc(Cn2nc(-c3ccccc3)nc2[C@H]2CCC(=O)NC2)cc1 217390233 GSHAIYGLTICTPD-KRWDZBQOSA-N 362.433 2.996 70 50 FFIA CC(=O)c1c(C)nn(CCC(=O)N2CC(c3nc4ccccc4[nH]3)C2)c1C 218339316 OGLGBPMPTFDPFR-UHFFFAOYSA-N 365.437 2.595 70 50 FFIA COc1ccc(C(=O)N[C@H](C)c2nnc(C(C)C)o2)cc1N1CCOCC1 218730476 GNCZUYZMOAWYLQ-CYBMUJFWSA-N 374.441 2.529 70 50 FFIA CN1CCC(Oc2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)CC1 218302975 WEHNSEBETAGWHO-FQEVSTJZSA-N 368.433 2.938 70 50 FFIA CCOC[C@@H]1CCCCN1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382470 CHKXLMWKLQERPV-ZDUSSCGKSA-N 360.407 2.703 70 50 FFIA Cc1cc(C(=O)NC[C@H]2CN(C3CC3)CCO2)c(C)n1Cc1ccccc1 160445150 XQNBRUADJUOMDU-FQEVSTJZSA-N 367.493 2.746 70 50 FFIA COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1 218194790 GPKWGDZGASQGFJ-CYBMUJFWSA-N 351.362 2.523 70 50 FFIA CSCC[C@@H](CO)NC(=O)c1cc(-c2ccc(OC(C)C)cc2)n[nH]1 218138240 BVHHONFLIHNMDX-AWEZNQCLSA-N 363.483 2.708 70 50 FFIA COc1cccc(NC(=O)C[C@H]2OC(=O)c3c2ccc(OC)c3OC)c1 218319920 ZHZQAGYGGCHVQM-OAHLLOKOSA-N 357.362 2.953 70 50 FFIA O=C(c1ccc(Oc2ccccc2)o1)N1CCCn2nc(CO)cc2C1 216984497 BZRQXLAFVABMSJ-UHFFFAOYSA-N 353.378 2.807 70 50 FFIA CSCC[C@@H](NC(=O)Cn1c(C)ccc1C)c1nnc2ccccn12 218439227 MUSFOGBPXVCDGA-OAHLLOKOSA-N 357.483 2.758 70 50 FFIA O=C(CN1CCOc2ccccc2C1)N1CCCC[C@@H]1CCn1cccn1 218554579 VGHVYMSWJKTDAL-LJQANCHMSA-N 368.481 2.549 70 50 FFIA Nc1nc(C2CC(O)C2)cc(N2CCC(c3nc4ccccc4o3)CC2)n1 218324935 ZWUHWRXOYBXAND-UHFFFAOYSA-N 365.437 2.822 70 50 FFIA COc1ccc(OC)c(C(=O)N[C@H](C)c2nc(-c3ccccn3)no2)c1 218021243 FQHTTXBTPSANDQ-LLVKDONJSA-N 354.366 2.640 70 50 FFIA Cc1ccc(C(=O)NCCn2ccc3ccccc32)c(-n2cnnn2)c1C 218542874 VDTPMCOSYSXOPK-UHFFFAOYSA-N 360.421 2.664 70 50 FFIA Cc1cc2ccccc2n1CC(=O)Nc1ccccc1N(C)S(C)(=O)=O 161467896 UTETYTOJGNZHPF-UHFFFAOYSA-N 371.462 2.984 70 50 FFIA O=C(Cc1cnccn1)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 217207834 XZDLSTQQXXBJTL-JOCHJYFZSA-N 364.493 2.924 70 50 FFIA Cc1cccc(-c2ccccc2C(=O)N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)c1 217709499 NNKVZIKNTCQWMG-BTYSMDAFSA-N 351.446 2.866 70 50 FFIA OCCn1nccc1C1CCN(Cc2cc(F)cc3cccnc23)CC1 160562841 PRCPILCJQGOZTL-UHFFFAOYSA-N 354.429 2.942 70 50 FFIA CNC(=O)[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2Cl)cc1C 160122319 LWJPWSXJHBJHMV-OAHLLOKOSA-N 360.845 2.575 70 50 FFIA O=C(CCc1nc(-c2ccoc2)no1)N1CCO[C@H](c2cccs2)C1 161375493 MQYLDKPFKAXUPQ-ZDUSSCGKSA-N 359.407 2.924 70 50 FFIA O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NC1CCCCCCC1 218328200 LWUNVQAAZFMZAQ-KRWDZBQOSA-N 357.454 2.726 70 50 FFIA CN(C(=O)NCCc1cscn1)[C@H]1CCCN(c2ccccc2)C1=O 159612721 QNJCHHUROIXZRA-INIZCTEOSA-N 358.467 2.523 70 50 FFIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC1CCN(c2cccc(Cl)c2)CC1 218343636 TZWWYTFPZDQCCD-MANSERQUSA-N 350.890 2.948 70 50 FFIA CC(=O)c1c(C)nn(CCC(=O)NCc2ccc(-n3cccn3)cc2)c1C 217788266 ORQFIHWHIQKZKK-UHFFFAOYSA-N 365.437 2.595 70 50 FFIA CN1C(=O)C[C@@H](CNC(=O)CCc2nc3ccccc3[nH]2)c2ccccc21 217624807 KJUJPHHBIANGCK-AWEZNQCLSA-N 362.433 2.762 70 50 FFIA CN1CCN(C)[C@@H](CNC(=O)Nc2ccccc2Oc2ccccc2F)C1 217612498 PYXSWDZHRRRMTQ-HNNXBMFYSA-N 372.444 2.985 70 50 FFIA O=C(Nc1cncc(OS(=O)(=O)F)c1)c1cc(F)cc(C2CC2)c1 1875387446 IKJJZXSWNVOJTN-UHFFFAOYSA-N 354.334 2.944 70 50 FFIA O=S(=O)(F)Oc1ccc(CN2CCN(Cc3cccs3)CC2)cc1 1875381612 BDFACGWCJPTJJM-UHFFFAOYSA-N 370.471 2.659 70 50 FFIA CCc1cccc2c(C(C)=O)cn(CC(=O)N[C@@H](C)c3n[nH]c(C)n3)c12 217655474 SLHOPCRSGBOFBR-NSHDSACASA-N 353.426 2.710 70 50 FFIA CC(C)n1c(CCCCCNC(=O)[C@H]2CC(=O)N(C)C2)nc2ccccc21 218460841 QGWDYKGVVSFTMW-INIZCTEOSA-N 370.497 2.925 70 50 FFIA O=C(CCCc1ccc(F)cc1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 218091337 GLWAUGKUOQYQQS-QZTJIDSGSA-N 358.413 2.896 70 50 FFIA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1cccc2[nH]ccc12 218072162 CRPNCNVMVAPTPX-ZOBUZTSGSA-N 358.467 2.832 70 50 FFIA biogenic O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)C1(c2ccccc2F)CC1 218147196 PNGCWYSRFUYNFJ-SIXWZSSISA-N 354.425 2.751 70 50 FFIA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cccc(Cl)c1 218481442 BIJUEWOTUWBUGC-HUUCEWRRSA-N 352.843 2.901 70 50 FFIA CCCCN(Cc1noc(-c2ccsc2)n1)[C@H]1CCS(=O)(=O)C1 160875544 FUPNCFUAYLWTNK-ZDUSSCGKSA-N 355.485 2.587 70 50 FFIA CC(C)NC(=O)CNC(=O)N1CCC[C@H](COc2ccccc2Cl)C1 161276382 MAJSOPHVIHYCRZ-AWEZNQCLSA-N 367.877 2.665 70 50 FFIA Cc1cc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)nn1C(C)(C)C 1875385550 VWHCKEUCNJNOAF-UHFFFAOYSA-N 355.391 2.792 70 50 FFIA Cc1ccc([C@H]2CN(Cc3c(C)nn(C)c3C)C[C@@H]2NC(=O)C2CC2)cc1 216852777 HJIJORONAJGJEU-RTWAWAEBSA-N 366.509 2.840 70 50 FFIA O=C(CN1CCOc2ccccc2C1)N1CCCC[C@H]1CCn1cccn1 218554648 VGHVYMSWJKTDAL-IBGZPJMESA-N 368.481 2.549 70 50 FFIA COc1ccccc1C[C@H]1CCCN1CCN1C(=O)NC2(CCCC2)C1=O 159812681 DYVJRQUREBLDNU-QGZVFWFLSA-N 371.481 2.567 70 50 FFIA O=C(Cn1ncc2ccccc21)N[C@H](CCn1cncn1)c1ccccc1 217986373 DZPSHWLSYLZRDL-GOSISDBHSA-N 360.421 2.576 70 50 FFIA CCNc1nc(C)c(C(=O)NCc2cc3c(cc2OC)OCCO3)s1 218660768 YWKRIKDDTRGIPU-UHFFFAOYSA-N 363.439 2.593 70 50 FFIA Cc1nc(C[C@@H]2CCCN(C(=O)Nc3ccn(CC(F)(F)F)n3)C2)no1 160880984 OKVYBRPWUWMNFK-NSHDSACASA-N 372.351 2.623 70 50 FFIA O=C1CC[C@@H]2CN(Cc3ccccc3F)CC[C@@H]2N1CC1CCNCC1 216961066 HMVSLHCIEODRME-QUCCMNQESA-N 359.489 2.638 70 50 FFIA O=C(CC1(n2cccc2)CCOCC1)N1CCN(c2ccccc2)CC1 218343299 BFVFJRKRCNCTJO-UHFFFAOYSA-N 353.466 2.733 70 50 FFIA CCOc1ccc2c(c1)CN(C(=O)Nc1ccnn1C[C@@H]1CCOC1)CC2 159402255 KSLMCRAXPTVHQI-HNNXBMFYSA-N 370.453 2.909 70 50 FFIA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1cc(CC(C)C)nc(N)n1 217208015 CVPGWSKNTMCVAI-QGZVFWFLSA-N 370.501 2.847 70 50 FFIA COc1ccccc1N1C[C@@H](C(=O)NCCCc2scnc2C)CC1=O 218103863 SDWUYFHVXQKFON-AWEZNQCLSA-N 373.478 2.562 70 50 FFIA Cc1cc(S(=O)(=O)NC2(C)CCOCC2)c(C)cc1Br 161030148 JJBRQIHPCHAHOY-UHFFFAOYSA-N 362.289 2.913 70 50 FFIA Cc1nc(NC(=O)Cc2cccc(S(=O)(=O)F)c2)nc2c1CCCC2 2325893149 NOBZQDAOBGURAD-UHFFFAOYSA-N 363.414 2.503 70 50 FFIA COc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)cc1N1CCOCC1 217708352 UWCCCUPRHWGHFG-GOSISDBHSA-N 367.449 2.904 70 50 FFIA CSc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)cc1 218515328 IUWOCAJDHRAKNN-QZTJIDSGSA-N 358.463 2.908 70 50 FFIA O=C(COCC(F)(F)C(F)F)NC[C@H]1CCN(c2ccccc2F)C1 218359521 MSZOBYDWOAOCBL-LLVKDONJSA-N 366.330 2.685 70 50 FFIA OC1(CN2CCC(Nc3ncncc3Br)CC2)CCCCC1 160996217 DUIHACUMYXGWCX-UHFFFAOYSA-N 369.307 2.811 70 50 FFIA O=C(Cc1cnccn1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 217207840 XZDLSTQQXXBJTL-QFIPXVFZSA-N 364.493 2.924 70 50 FFIA CCc1nc2ccccc2n1CCC(=O)N[C@H]1CCOC2(CCOCC2)C1 216973267 QVTNTUIGYODXBL-INIZCTEOSA-N 371.481 2.833 70 50 FFIA C[C@H](c1ccccc1)N1CCC(NC(=O)c2cnc3c(c2)ncn3C)CC1 159856321 VYAYIMGBUTWJHX-OAHLLOKOSA-N 363.465 2.924 70 50 FFIA COc1ccc(CNC(=O)CC2(n3cccc3)CCOCC2)cc1OC 218396814 ONDHWYFEIAMCTD-UHFFFAOYSA-N 358.438 2.718 70 50 FFIA Cn1c([C@@H]2CCCN(C(=O)COc3cccnc3)C2)nc2ccccc21 218263891 KFZHUVDQPZXOLZ-OAHLLOKOSA-N 350.422 2.753 70 50 FFIA COc1ccccc1CC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC=C(C)C 216684557 LTWBPYZJRYRCPS-MSOLQXFVSA-N 356.466 2.653 70 50 FFIA O=C(CN1CCCCC1)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 218367510 NJZQPVBLOGDIAP-QYGXFBIXSA-N 353.466 2.649 70 50 FFIA CN1CCC(Oc2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)CC1 218303046 WEHNSEBETAGWHO-HXUWFJFHSA-N 368.433 2.938 70 50 FFIA CC(C)NC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 217932707 FIXMBKLODHFEBD-LJQANCHMSA-N 363.417 2.716 70 50 FFIA biogenic CN(C(=O)c1ccc(CN)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O 159746313 XOYFUOIUGYHUQR-QGZVFWFLSA-N 357.841 2.676 70 50 FFIA O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCCC[C@H]1c1cccnc1 218093812 RCMPXQMPXMFWEI-KRWDZBQOSA-N 364.405 2.652 70 50 FFIA biogenic CCOC(=O)c1csc(NC(=O)CC2(n3cccc3)CCOCC2)n1 218312937 DOUKPIJPQRKAMZ-UHFFFAOYSA-N 363.439 2.656 70 50 FFIA O=c1cc(CN2CCc3ccccc3C2)oc(CN2CCCCC2)c1O 218269156 OAVPMWQTDXWPID-UHFFFAOYSA-N 354.450 2.890 70 50 FFIA Cc1nc([C@@H](C)NC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)cs1 216993711 RGZAXOIDFSCPBX-LLVKDONJSA-N 374.445 2.902 70 50 FFIA CCc1ccc(S(=O)(=O)N2CCCn3nc([C@@H](O)CC)cc3C2)s1 217180420 KFDNTOUBBHZZCN-HNNXBMFYSA-N 369.512 2.545 70 50 FFIA O=c1cc(CO)oc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1O 218457774 LSRKJFJXLYIWRE-GFCCVEGCSA-N 372.446 2.827 70 50 FFIA COCCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1ccc(F)c(Cl)c1F)C2 216679703 MSFTUFLLCVINHA-OLZOCXBDSA-N 358.816 2.687 70 50 FFIA COc1cc2c(cc1OC)[C@H](c1cccnc1)N(C(=O)c1cc[nH]n1)CC2 217704240 OYHOGBZQJXCONC-IBGZPJMESA-N 364.405 2.610 70 50 FFIA CO[C@@H]1[C@H]2CC[C@@H]1CN(Cc1ccccc1OCC(=O)N1CCCCC1)C2 217060075 VPOUUJPPGLOEBD-NGRWLJPCSA-N 372.509 2.935 70 50 FFIA O=C(Nc1n[nH]c([C@H]2CCCO2)n1)c1cc(-c2ccc(Cl)cc2)n[nH]1 218305878 IUNHMDPNSQCFJL-CYBMUJFWSA-N 358.789 2.952 70 50 FFIA N#CC(C(N)=S)=P(c1ccccc1)(c1ccccc1)c1ccccc1 100297662 UCGNNDMMGYCKRE-UHFFFAOYSA-N 360.422 2.963 70 50 FFIA Cc1nc(CC(C)C)cc(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)n1 218200043 AQMVGFUJYOWQEH-HXUWFJFHSA-N 368.481 2.964 70 50 FFIA CNC(=O)[C@@H]1CCCCN1C(=O)c1nn(-c2ccccc2Cl)cc1C 160122479 LWJPWSXJHBJHMV-HNNXBMFYSA-N 360.845 2.575 70 50 FFIA O=C(CCn1cnc2ccccc21)NCc1nncn1C1CCCCC1 218411107 KBSCPIGACMMQLV-UHFFFAOYSA-N 352.442 2.840 70 50 FFIA C[C@H](NC(=O)c1cnc2c(F)cccc2c1O)c1nnc2ccccn12 218337765 VBILLDNLNVVJLV-JTQLQIEISA-N 351.341 2.613 70 50 FFIA O=C(CCC(=O)c1ccccc1)NCCc1csc(-c2ncccn2)n1 218226415 BOOZSMUZKCMORD-UHFFFAOYSA-N 366.446 2.922 70 50 FFIA Cc1nn(-c2cccc(C(=O)N(C)Cc3ccon3)c2)c(=O)c2ccccc12 217600216 HJBVCKIDVHBQCZ-UHFFFAOYSA-N 374.400 2.954 70 50 FFIA Cc1cccc(CN2CCC(NC(=O)c3cnc4c(c3)ncn4C)CC2)c1 160131777 NXLFSMITTRJNRJ-UHFFFAOYSA-N 363.465 2.671 70 50 FFIA O=C(Cc1ccc(-c2ccccc2)cc1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 218042537 XKWGCMQEAPWCIS-VXKWHMMOSA-N 364.489 2.954 70 50 FFIA COc1ccc(Cc2nc(NC(=O)c3n[nH]c4c3CCCCC4)n[nH]2)cc1 218127751 SJDSNVLIKPIRDQ-UHFFFAOYSA-N 366.425 2.648 70 50 FFIA O=C(Nc1ccc(Cn2cncn2)cc1)c1cnc2c(F)cccc2c1O 218158546 QCIKJCHWLNZTCL-UHFFFAOYSA-N 363.352 2.972 70 50 FFIA COC(=O)c1nc(NC(=O)c2cnc3ccc(OC)cc3c2O)sc1C 218327498 KFNJTVQVINATEJ-UHFFFAOYSA-N 373.390 2.753 70 50 FFIA CCN1Cc2ccccc2C[C@H]1C(=O)N1CC(c2nc3ccccc3[nH]2)C1 217798759 LJGUSRXRFLXJDY-FQEVSTJZSA-N 360.461 2.936 70 50 FFIA CC(C)(C)OC(=O)N1CCN(c2nccc([B-](F)(F)F)c2Cl)CC1 230549886 YOFLSXWIMPVDGC-UHFFFAOYSA-N 364.584 2.847 70 50 FFIA O=S(=O)(Cl)c1ccc(F)c2ncc(I)cc12 100640321 RMDZMXVXSFEFFQ-UHFFFAOYSA-N 371.558 2.906 70 50 FFIA in-vitro COc1cn(CC(=O)Nc2ccc3[nH]c(CC(C)C)nc3c2)c(C)cc1=O 218183861 LTFGYNMXMSPGBJ-UHFFFAOYSA-N 368.437 2.879 70 50 FFIA CC(=O)N1CC(Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)=CC1=O 218572947 FWCMLQAXUQCVFF-UHFFFAOYSA-N 370.796 2.672 70 50 FFIA Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc(OS(=O)(=O)F)cc2)c1 1875368424 PXKOSUABBOLGTF-UHFFFAOYSA-N 373.427 2.722 70 50 FFIA Cc1n[nH]c(C)c1CCCNC(=O)C1(c2ccccc2)CCN(C)CC1 218695092 ONOZLYYZXYGODM-UHFFFAOYSA-N 354.498 2.739 70 50 FFIA C[C@@H](Oc1cccc(CO)c1)C(=O)NC1CCN(Cc2ccccc2)CC1 160773253 LQPHKUHCQPJARL-QGZVFWFLSA-N 368.477 2.727 70 50 FFIA O=C(CCCCc1ccccc1)N1CCN(c2ccc3nccn3n2)CC1 216924222 ZHOOZIIJFBMVNP-UHFFFAOYSA-N 363.465 2.791 70 50 FFIA COc1ccc2c(c1)C=C(CN1CCCn3nc([C@@H](C)O)cc3C1)CO2 217179829 MZIZZAFOOJHGMZ-CQSZACIVSA-N 355.438 2.627 70 50 FFIA O=C(COCC(F)(F)C(F)F)NC[C@@H]1CCN(c2ccccc2F)C1 218359433 MSZOBYDWOAOCBL-NSHDSACASA-N 366.330 2.685 70 50 FFIA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)CSCC1CC1 216826638 WVVHZBFFKMNAQS-SJORKVTESA-N 363.527 2.857 70 50 FFIA COc1cccc2c1ccn2CCNC(=O)c1cc(-c2cccnc2)n[nH]1 218141402 ORJUDKXRPCKLOH-UHFFFAOYSA-N 361.405 2.865 70 50 FFIA CO[C@H](C)c1noc(CCC(=O)N2C[C@H]3CCCN3Cc3ccccc32)n1 160130637 RNURUHSVNBDKDI-GDBMZVCRSA-N 370.453 2.721 70 50 FFIA C[C@H](Oc1cccc(CO)c1)C(=O)NC1CCN(Cc2ccccc2)CC1 160773143 LQPHKUHCQPJARL-KRWDZBQOSA-N 368.477 2.727 70 50 FFIA O=C(c1cc(Cl)c[nH]1)N1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 218504669 VFRNEJFFNWETJR-GOSISDBHSA-N 370.840 2.797 70 50 FFIA Cc1nccc(C2CCN(C(=O)CC3=CSC4=NCCCN34)CC2)n1 217770728 WWVPKRLLHHENGY-UHFFFAOYSA-N 357.483 2.531 70 50 FFIA Cc1cccc2[nH]c(COCC(=O)N3CCC[C@H](c4ccncn4)C3)nc12 218587376 OUDDXXLKXXWNSD-HNNXBMFYSA-N 365.437 2.584 70 50 FFIA Cc1[nH]c2ccccc2c1CC(=O)NCCc1noc([C@@H]2CCCO2)n1 217966323 RBXWQBUMLRSTOY-INIZCTEOSA-N 354.410 2.612 70 50 FFIA CCc1cccc2c(C(C)=O)cn(CC(=O)N[C@H](C)c3n[nH]c(C)n3)c12 217655567 SLHOPCRSGBOFBR-LLVKDONJSA-N 353.426 2.710 70 50 FFIA COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(S(=O)(=O)F)CC2 1875368416 PLPYFEHXSJWMEL-QGZVFWFLSA-N 351.399 2.866 70 50 FFIA COc1ccc(OC)c(C(=O)N[C@@H](C)c2nc(-c3ccccn3)no2)c1 218021158 FQHTTXBTPSANDQ-NSHDSACASA-N 354.366 2.640 70 50 FFIA CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Cl)c21 1857533518 NHPDXYCYERJLQJ-UHFFFAOYSA-N 352.637 2.676 70 50 FFIA COC(=O)[C@H](CCSC)NC(=O)c1cc(C(C)C)nc2onc(C)c12 218128581 RMQLQRGWDNPFIT-LBPRGKRZSA-N 365.455 2.679 70 50 FFIA O=C(Nc1ccc(S(=O)(=O)Cl)cc1Br)C(F)(F)F 103335290 GSQXQAYHVZYRGC-UHFFFAOYSA-N 366.542 2.877 70 50 FFIA COc1ccc(-c2noc([C@H](C)NC(=O)CSc3ncccn3)n2)cc1 218216304 KSTYPOZXIPQVOP-NSHDSACASA-N 371.422 2.505 70 50 FFIA COc1ccc2occ([C@@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(=O)c2c1 217902081 NCONZLUSDUKMMI-LLVKDONJSA-N 366.325 2.971 70 50 FFIA biogenic CCN1Cc2ccccc2C[C@@H]1C(=O)N1CC(c2nc3ccccc3[nH]2)C1 217798705 LJGUSRXRFLXJDY-HXUWFJFHSA-N 360.461 2.936 70 50 FFIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1ccc(N2CCCC2=O)cc1 218370401 ICYAKMWWSDGFSB-MOPGFXCFSA-N 372.465 2.684 70 50 FFIA COc1cc(OC)c([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1OC 217889667 KDFAKNRVGCEDPM-SNVBAGLBSA-N 358.346 2.882 70 50 FFIA biogenic C[C@H]1CCCCN1CCN(C)Cc1ccc(OCC(N)=O)c(Cl)c1 218760391 AFSUZJUFRJPPMZ-AWEZNQCLSA-N 353.894 2.510 70 50 FFIA COc1ccccc1N1CC[C@@H](NC(=O)c2cc(C)n(C(C)(C)C)n2)C1 161175143 UGIFDBMSXXRNRC-OAHLLOKOSA-N 356.470 2.964 70 50 FFIA COc1cc2c(cc1OC)[C@H](c1ccccc1)N(S(=O)(=O)F)CC2 1875368415 PLPYFEHXSJWMEL-KRWDZBQOSA-N 351.399 2.866 70 50 FFIA Cc1cc(COc2ccccc2)oc1C(=O)NCCOc1nonc1C 218568668 UGIJTPSHUMICCU-UHFFFAOYSA-N 357.366 2.667 70 50 FFIA CCc1c(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)[nH]c2ccccc12 218156258 PSVKQJBMIWTHNB-OOKWDQIISA-N 352.438 2.706 70 50 FFIA Cc1cc(COc2ccccc2)oc1C(=O)N1CC[C@@]2(CN(C)C(=O)O2)C1 218031265 NXCMTHRIDZQIJJ-HXUWFJFHSA-N 370.405 2.834 70 50 FFIA O=C(OCc1ccccc1)N1C[C@H](S(=O)(=O)Cl)CC12CCOCC2 1775955165 ZSLRVVWZLVDDQR-CQSZACIVSA-N 373.858 2.515 70 50 FFIA Cc1ccccc1OC[C@H](O)C(=O)N1CCCN(C2CCCCC2)CC1 217202581 GNCJENZSLJZRPE-IBGZPJMESA-N 360.498 2.602 70 50 FFIA O=C(NCc1ccc2c(c1)CCCO2)c1ccccc1N1CCOCC1 218136281 DJICKUHDHGNIQQ-UHFFFAOYSA-N 352.434 2.778 70 50 FFIA O=C(Nc1ccccc1)C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 217212137 CYDRDCXLZASBBT-QUCCMNQESA-N 363.461 2.748 70 50 FFIA Cc1nc(CN(C)Cc2cc3n(n2)CCCN(C[C@@H]2CC=CCC2)C3)no1 216798348 UDUDYDYREJDJER-QGZVFWFLSA-N 370.501 2.769 70 50 FFIA O=C(Cc1ccc(F)cc1F)N1CCCO[C@@H](CN2CCCCC2)C1 217170387 COODYKMFNKKFPW-KRWDZBQOSA-N 352.425 2.611 70 50 FFIA