smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc(OCC(=O)N2CCCCC2)cc1 218184451 IQWNCHQUCSBKHI-SQNIBIBYSA-N 358.438 1.985 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCS(=O)(=O)c1ccccc1)C2 216976295 YAVUOOYBZMWGHC-CYBMUJFWSA-N 363.439 1.143 70 50 FDIA O=C(CCc1c[nH]c2ccccc12)N1CCn2nc([C@H](O)CO)cc2C1 216911842 SFRWAJRIYRLARI-GOSISDBHSA-N 354.410 1.365 70 50 FDIA CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Cc1c(F)cccc1Cl 160314090 PRMRCDRCOLJBSA-IINYFYTJSA-N 362.854 1.856 70 50 FDIA CCCN1CCC(N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)CC1 218253071 UIWBAJOIVWFJBE-HXUWFJFHSA-N 372.517 1.778 70 50 FDIA O=C(Cn1c(=O)oc2ccccc21)NCc1nc(-c2ccncc2)n[nH]1 218670668 ZCHYYGJNONILLT-UHFFFAOYSA-N 350.338 1.091 70 50 FDIA CC(C)Cc1cc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)nc(=O)[nH]1 216986533 NRKWNXZQOUAACG-OAHLLOKOSA-N 362.474 1.153 70 50 FDIA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(c1ccc(C(F)(F)F)cn1)C2 216707196 FCXXPJGSDLRBRR-YPMHNXCESA-N 370.375 1.616 70 50 FDIA COCCCn1cnnc1CNC(=O)c1cc(=O)[nH]c2ccc(F)cc12 218050492 WLHOFBDPTYDAPU-UHFFFAOYSA-N 359.361 1.225 70 50 FDIA COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCc3ccccn3)C2=O)cc1 218532940 NMQKMFQULCFRDV-INIZCTEOSA-N 368.393 1.264 70 50 FDIA Cc1nc2ncccn2c1C(=O)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 218598203 NMBONOVMTZIFHM-JYJNAYRXSA-N 351.410 1.545 70 50 FDIA O=C(CCCn1nnc(-c2ccc(F)cc2)n1)N1CCc2n[nH]cc2C1 216956120 UGSHOTQWZHOOII-UHFFFAOYSA-N 355.377 1.567 70 50 FDIA O=C(Cn1c(=O)oc2ccccc21)NCCc1noc([C@H]2CCCO2)n1 216911631 ARXMKKVEXWNKSI-CYBMUJFWSA-N 358.354 1.188 70 50 FDIA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1c[nH]c2cc(C)nn2c1=O 218334813 ZDXSZOQMRLTWJV-HUUCEWRRSA-N 360.414 1.201 70 50 FDIA O=C(Nc1cncc(OS(=O)(=O)F)c1)c1ccc(=O)n(C2CC2)c1 1875387340 CGKJMVZMTPKREO-UHFFFAOYSA-N 353.331 1.424 70 50 FDIA CC(C)NC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 217519953 BWKIEMWIVKCKOU-FKKBTLCVSA-N 370.405 1.222 70 50 FDIA biogenic COc1ccc(C(=O)N[C@H]2C[C@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)o1 218173398 RLHIWEARUORBIT-XQQFMLRXSA-N 358.398 1.325 70 50 FDIA COc1ccc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)c(OC)c1OC 217702066 DWMYDORCKFHIRJ-LLVKDONJSA-N 363.366 1.687 70 50 FDIA biogenic Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 218146937 MISJIDLXXFPKOY-AWEZNQCLSA-N 354.366 1.799 70 50 FDIA O=C(CNC(=O)NCc1ccc(Cl)cc1)N[C@@H]1c2ccccc2C[C@H]1O 159828244 TVSCBIZJUIMJMA-SJLPKXTDSA-N 373.840 1.914 70 50 FDIA Cc1cc(C)n([C@@H]2CCN(C(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C2)n1 218745287 BBPPTYVBSORXJN-CYBMUJFWSA-N 353.382 1.117 70 50 FDIA Cn1cc([C@H](NC(=O)CCn2cnc3ccccc32)[C@H]2C[C@H](O)C2)cn1 218334118 GXXPYWUHNIWHMD-FRIZHTMISA-N 353.426 1.788 70 50 FDIA O=C(CCN1CCCn2nc([C@@H](O)C3CC3)cc2C1)NCc1ccco1 218576985 OBEQKFGOWFBCCF-IBGZPJMESA-N 358.442 1.832 70 50 FDIA CNc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)ccn1 216800855 DOXQIFOCITXPBD-HIFRSBDPSA-N 371.466 1.843 70 50 FDIA CCOc1ccc(C(=O)N2CCn3nc([C@@H](O)c4nccn4C)cc3C2)o1 218385481 LUIZZGBWBLKQGI-MRXNPFEDSA-N 371.397 1.346 70 50 FDIA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(C(=O)COc1ccccc1)C2 218448325 WOYHDPIECCAICR-SFHVURJKSA-N 367.409 1.120 70 50 FDIA O=C(CN1CCOc2ccccc2C1)N[C@@H]1COCC[C@@H]1OCC1CC1 218150436 QBMUPGFNTSMWIZ-MJGOQNOKSA-N 360.454 1.581 70 50 FDIA COc1ccc([C@H](NC(=O)c2c(C)cc(C)n(C)c2=O)C2CC(O)C2)cn1 218696707 SAOUUTVRGHSDJZ-JMLCCBQJSA-N 371.437 1.648 70 50 FDIA COC(=O)C[C@@H](c1ccccc1)c1oc(CN2CCOCC2)cc(=O)c1O 217911736 NHLLDMJQIDXKTI-INIZCTEOSA-N 373.405 1.873 70 50 FDIA biogenic Cc1nc(O)nc(C)c1CCC(=O)NC[C@@H]1CC(=O)N(C)c2ccccc21 217914475 NDRCYCQFIMNPGH-AWEZNQCLSA-N 368.437 1.998 70 50 FDIA O=C(NC1CCN(C(=O)N2CCOCC2)CC1)[C@@H]1C[C@H]1c1ccccc1 217858734 MSFITHGDBAAQMU-ZWKOTPCHSA-N 357.454 1.823 70 50 FDIA CS(=O)(=O)c1cc(Br)cc(C(=O)N2CCNCC2)c1F 159404540 WQYVTDXUUASDKX-UHFFFAOYSA-N 365.224 1.037 70 50 FDIA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc2ncccc2c1 218328418 YFMAYKWOMMSCAU-CYBMUJFWSA-N 368.393 1.364 70 50 FDIA O=C(CNC(=O)c1ccccc1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 218028891 KKXJUGNRAOETIQ-MOPGFXCFSA-N 368.433 1.907 70 50 FDIA O=C(CN1CC[C@@H](c2ccccc2)C1)NCc1nc(-c2cnccn2)n[nH]1 217557921 IZTUUNZTYUMYRX-OAHLLOKOSA-N 363.425 1.367 70 50 FDIA Cc1cc(-c2noc(CCC(=O)NCCCS(=O)(=O)F)n2)ccc1F 2325887651 IOZPDCDAOHOPRW-UHFFFAOYSA-N 373.381 1.922 70 50 FDIA CSc1ccccc1C(=O)N1CCN(c2ccnc3nncn23)CC1 217690679 ODXNBDNHGNVJET-UHFFFAOYSA-N 354.439 1.809 70 50 FDIA CN1CCN(C(=O)C[C@@H]2NC(=O)N(c3cccc4ccccc34)C2=O)CC1 218480470 HBUMPUXZPCACGI-INIZCTEOSA-N 366.421 1.429 70 50 FDIA Cc1ncnc(N2CCN(C(=O)c3scc4c3OCCO4)CC2)c1C 218362213 QSNXGWIYTVKFDM-UHFFFAOYSA-N 360.439 1.889 70 50 FDIA C[C@H](O)c1cc2n(n1)CCN(C(=O)C1CCN(Cc3ccco3)CC1)C2 217749577 OVBXQQOKFNQGNM-AWEZNQCLSA-N 358.442 1.784 70 50 FDIA CCc1ccc(S(=O)(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)s1 218551063 JMCCPZMVEXBJLV-MBRGGSNBSA-N 355.485 1.835 70 50 FDIA COCCn1c([C@H](C)NC(=O)c2ccn3nnnc3c2)nc2ccccc21 218400436 XPFNAPPYXYNDDV-LBPRGKRZSA-N 365.397 1.611 70 50 FDIA O=C(CN1CCCC1=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 218294085 SPIBRHDOKDJHNF-SGHGTVFPSA-N 353.422 1.785 70 50 FDIA Cc1[nH]c2c3c(F)cccc3nn2c(=O)c1CCC(=O)N1CCOCC1 218299914 DZTFERVKUBODEA-UHFFFAOYSA-N 358.373 1.415 70 50 FDIA COc1cc(OC)c(CN2CCN3CCN(C)C(=O)[C@@H]3C2)cc1Cl 217356132 NVMSUSYUZITPQS-AWEZNQCLSA-N 353.850 1.315 70 50 FDIA COc1ccccc1[C@@H]1CCCN1C(=O)COc1ccc2nncn2n1 217202308 DTIVGSZCVXSECT-AWEZNQCLSA-N 353.382 1.875 70 50 FDIA COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCc1c(C)n[nH]c1C 218711935 RYZNDRBNZKCIPD-UHFFFAOYSA-N 366.443 1.045 70 50 FDIA O=C(CCN1CCN(c2ccccc2)CC1)N[C@H]1c2ccccc2C[C@@H]1O 159837214 XKMQBIDUWOZITM-UNMCSNQZSA-N 365.477 1.973 70 50 FDIA O=C(CCCNC(=O)c1cnccn1)NCCc1nc2ccccc2[nH]1 218565022 KTWRGOBPXOQVPB-UHFFFAOYSA-N 352.398 1.222 70 50 FDIA CCc1cc(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)ncn1 218622359 YKPNSKUXFSBMHI-UHFFFAOYSA-N 350.426 1.738 70 50 FDIA Cc1nn(CCC(=O)NCCn2[nH]c(=O)c3ccccc3c2=O)c(C)c1C 218293898 VUEUPVQFKVZZQA-UHFFFAOYSA-N 369.425 1.018 70 50 FDIA C[C@H](O)c1cc2n(n1)CCN(Cc1cc(Cl)ccc1OCC(N)=O)C2 217550315 VWHLHIAUGPHIHY-NSHDSACASA-N 364.833 1.470 70 50 FDIA COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)C1Cc2ccccc2C1 218052595 ZFMOGAQCWIHHNO-UHFFFAOYSA-N 360.435 1.582 70 50 FDIA CC(C)c1nnc(N2CCn3nc([C@H](O)c4nccn4C)cc3C2)s1 218084901 KJQDWBUNBMESOL-ZDUSSCGKSA-N 359.459 1.693 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CN(C)Cc1ccccc1F)C2 217948893 NXDPHRFQIRIACX-CQSZACIVSA-N 360.433 1.940 70 50 FDIA CN(C)C(=O)c1ccc(CNC(=O)c2cc(=O)[nH]c3ccc(F)cc23)o1 218694676 YJTCRXQOXJZVCM-UHFFFAOYSA-N 357.341 1.892 70 50 FDIA Cc1nc([C@H]2C[C@@H](NC(=O)CN3CCc4ccccc4C3)C2)cc(=O)[nH]1 218120421 KSHSBFPVUVUSKP-QAQDUYKDSA-N 352.438 1.499 70 50 FDIA O=C(COc1ccc2c(c1)NC(=O)CC2)Nc1n[nH]c(C(F)(F)F)n1 218504259 RKRVIXFABNNKFR-UHFFFAOYSA-N 355.276 1.726 70 50 FDIA Cc1ccc(C2(O)CCN(Cc3nnc([C@H]4C[C@@H](N)C4)n3C)CC2)nc1 218050378 CVMASYRLZQSOGE-SHTZXODSSA-N 356.474 1.207 70 50 FDIA CC(C)(C)S(=O)(=O)CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 160169306 LOIIWHVAAROFIG-INIZCTEOSA-N 352.500 1.981 70 50 FDIA Cn1ncnc1[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)C1CC1 218270152 LDAUTSJPTNSZLA-INIZCTEOSA-N 352.398 1.183 70 50 FDIA O=C(c1ccccc1)N1CCC(N2CCCn3nc(CO)cc3C2)CC1 217159844 JLNLFVJXKLWIGL-UHFFFAOYSA-N 354.454 1.886 70 50 FDIA Cc1cc(C)nc(NCC(=O)N2CCC(c3nnc4ccccn34)CC2)n1 218420423 DXMBPHBQFJZFTH-UHFFFAOYSA-N 365.441 1.954 70 50 FDIA COc1ccc(Cn2nc(CC(N)=O)nc2[C@H](C)Cn2cccn2)cc1 217040018 AACLSHXBDBHOOA-CYBMUJFWSA-N 354.414 1.363 70 50 FDIA O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)Cn1nnc(-c2ccccc2)n1 160544949 HHRSYOBEMYBAPD-HOTGVXAUSA-N 369.425 1.327 70 50 FDIA Cc1cccc(N(CC(=O)N[C@H](C)c2cnn(C)c2)S(C)(=O)=O)c1 217193832 NEEQJGLKFCZRMJ-CYBMUJFWSA-N 350.444 1.372 70 50 FDIA Cc1nc(O)nc(C)c1CCC(=O)NC[C@H]1CC(=O)N(C)c2ccccc21 217914567 NDRCYCQFIMNPGH-CQSZACIVSA-N 368.437 1.998 70 50 FDIA O=C(CCN1C(=O)c2cccnc2C1=O)NCCc1nc2ccccc2[nH]1 218466087 NGIIUYYWMATOOA-UHFFFAOYSA-N 363.377 1.303 70 50 FDIA CN1CCN([C@H]2CCN(C(=O)CCCN3Cc4ccccc4C3)C2)CC1 217188985 BFSZVOGZHOVOPM-FQEVSTJZSA-N 356.514 1.631 70 50 FDIA O=C(N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1)c1n[nH]c2c1CCC2 218321133 PUWLCIGIQFQSBC-IAGOWNOFSA-N 357.410 1.357 70 50 FDIA CSc1ncc(C(=O)NC[C@H](c2cccnc2)N2CCOCC2)cn1 218373626 WFRMHQZFZACDIJ-OAHLLOKOSA-N 359.455 1.397 70 50 FDIA COc1cc(C(=O)N2CCCn3nc(CO)cc3C2)c2ccccc2n1 217878945 XENMCODYXSDDDU-UHFFFAOYSA-N 352.394 1.978 70 50 FDIA O=c1cc(CN2CCCn3nc(CO)cc3C2)nc2sc(C3CC3)nn12 217172110 OMKYHFCLZRBWIM-UHFFFAOYSA-N 372.454 1.123 70 50 FDIA CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)CCc1nc2ccccc2[nH]1 218621934 NJYTXTDCWSBTRJ-IAGOWNOFSA-N 360.458 1.347 70 50 FDIA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cccnc1N)C2 216788988 REIATJMETVCYFN-CVEARBPZSA-N 355.442 1.892 70 50 FDIA N#Cc1cc(C(=O)c2ccccc2OS(=O)(=O)F)cn(C2CC2)c1=O 1875374477 SBRPGTIVSMMBTF-UHFFFAOYSA-N 362.338 1.879 70 50 FDIA CC[C@H](O)CN1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 161080648 UCONHQQTRFUCMT-INIZCTEOSA-N 358.446 1.403 70 50 FDIA Cn1c(CO)nnc1[C@H]1CCCN(C(=O)CCN2Cc3ccccc3C2)C1 217471466 OGEHHFLGGAJZHW-KRWDZBQOSA-N 369.469 1.419 70 50 FDIA NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)Cc2ccccc2)cc1 218243442 KLILAVVHAYQLKP-QZTJIDSGSA-N 354.406 1.681 70 50 FDIA COc1ccccc1[C@H]1CCCN1C(=O)COc1ccc2nncn2n1 217202316 DTIVGSZCVXSECT-CQSZACIVSA-N 353.382 1.875 70 50 FDIA Cc1ccc2oc(=O)n(CCC(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N(C)C)c2c1 218499975 VFOOLPWWGMAEQQ-QRVDHSFSSA-N 359.426 1.127 70 50 FDIA Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)CC1 217115495 BSJHQKQASIVQQI-GFCCVEGCSA-N 357.414 1.136 70 50 FDIA CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(F)cc1F)C2 218241052 OZCXKLMBSOMTBB-QGZVFWFLSA-N 364.396 1.689 70 50 FDIA O=C(c1scc2c1OCCO2)N1CCN(c2ccc3nccn3n2)CC1 217542745 XHUAHZWCLRKGAL-UHFFFAOYSA-N 371.422 1.524 70 50 FDIA O=C(CN1CCc2ccccc2C1)NCCc1noc([C@@H]2CCCO2)n1 217514573 IYBGHNGEVVTBPC-INIZCTEOSA-N 356.426 1.638 70 50 FDIA Cc1nc2ccccn2c1C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C 218352281 CGNKVCPYTAJABT-UHFFFAOYSA-N 355.398 1.141 70 50 FDIA COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)o1 218630279 HMAJRVGUNZOPPK-UKRRQHHQSA-N 360.366 1.353 70 50 FDIA O=C(c1ccc(N2CCCC2)cc1)N1CCn2nc([C@@H](O)CO)cc2C1 217536394 WNIXJWQTOAGWOT-SFHVURJKSA-N 356.426 1.165 70 50 FDIA CS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(Cl)cc3c2O)CC1 218134543 XDAKQGQLESBQAF-UHFFFAOYSA-N 369.830 1.311 70 50 FDIA NC(=O)CC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 159837759 PKVBGJURNSBUTI-UHFFFAOYSA-N 356.426 1.935 70 50 FDIA CN(Cc1nccs1)C(=O)c1ccc2c(c1)nc(N1CC[C@H](O)C1)n2C 217528511 KNBYHZPLYMNBMZ-ZDUSSCGKSA-N 371.466 1.873 70 50 FDIA CCOc1ccccc1N1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 218400828 ZOAYVXKGPNYGNX-UHFFFAOYSA-N 368.485 1.989 70 50 FDIA O=C(CC1=CSC2=NCCCN12)NCCCc1nnc2ccccn12 218271002 ABCZDWKRKNNGDY-UHFFFAOYSA-N 356.455 1.818 70 50 FDIA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCN1CCCC1)C2 216884983 KGQWCBXSSSGTGY-SJORKVTESA-N 374.485 1.727 70 50 FDIA O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCC[C@@H](O)C1 218085971 NXPLBLIYWGRKKM-WCQYABFASA-N 360.863 1.286 70 50 FDIA CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(C(=O)Cc1ccsc1)C2 218203001 YGDQNUGLHOSSPS-OAHLLOKOSA-N 362.455 1.041 70 50 FDIA Cn1c(CNC(=O)COc2ccc(-n3cnnn3)cc2)nc2ccccc21 217916027 CMDUKGGJPZPNEX-UHFFFAOYSA-N 363.381 1.244 70 50 FDIA COc1ccc2c(c1)c(C(=O)N1CCn3nc(CO)cc3C1)c(C)n2C 217073986 YNBHZHAZWVFEQB-UHFFFAOYSA-N 354.410 1.840 70 50 FDIA CNc1ncc(C(=O)N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)cn1 218188967 VQIKRQGFTKNXCV-CABCVRRESA-N 361.402 1.227 70 50 FDIA COCCc1noc(CN(C)C(=O)[C@@H](c2cccc(F)c2)N(C)C)n1 218757606 ZMNFXOJBWKWEAM-MRXNPFEDSA-N 350.394 1.659 70 50 FDIA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H]1c1ccccn1 217623303 CNMAKNBDSBBADA-OAHLLOKOSA-N 361.423 1.715 70 50 FDIA CN1C[C@@]2(CCN(C(=O)Cc3cc4c(cc3Cl)OCCO4)C2)OC1=O 218506957 AEIRRYDAVLXSAI-QGZVFWFLSA-N 366.801 1.707 70 50 FDIA CC(C)c1nc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)n[nH]1 218280791 OARZPACWPIPOQX-ZDUSSCGKSA-N 370.413 1.767 70 50 FDIA Cn1c(CO)nnc1C1CCN(C(=O)CCn2cnc3ccccc32)CC1 217105142 WOICNWOAVRXWMW-UHFFFAOYSA-N 368.441 1.453 70 50 FDIA Cn1c(=O)n(C)c2cc(CNC(=O)[C@H]3CCc4ccccc4O3)ccc21 218520148 XNWRXEIFSSSTAT-GOSISDBHSA-N 351.406 1.887 70 50 FDIA O=C(Cc1c[nH]c(=O)[nH]c1=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 217583110 JNFHCJZJQPRUJX-CQSZACIVSA-N 355.394 1.559 70 50 FDIA Nc1nc2c(c(C(=O)N3CCCN(Cc4cccnc4)CC3)n1)CCCC2 216984664 BMDDTNZFYSLTDJ-UHFFFAOYSA-N 366.469 1.681 70 50 FDIA COc1ccc(-c2cc(C(=O)N[C@H](CO)CCSC)[nH]n2)c(OC)c1 218337317 PSPXIBVFMRCDDJ-NSHDSACASA-N 365.455 1.938 70 50 FDIA O=C(COc1ccccc1)NC1CCN(C2CCS(=O)(=O)CC2)CC1 218779099 MYBAWZQXBOIWSB-UHFFFAOYSA-N 366.483 1.223 70 50 FDIA COCc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cc3ccccc3[nH]c2=O)o1 217621976 LXEFZCQEXGTIGD-LBPRGKRZSA-N 370.361 1.341 70 50 FDIA biogenic CCCN1C(=O)N[C@@H](CC(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)C1=O 217603807 LAITZNDKCYWUJD-ZDUSSCGKSA-N 361.377 1.381 70 50 FDIA Cc1nc(N)sc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 218102080 HKRBBXFMKVAXSU-ZIAGYGMSSA-N 363.439 1.492 70 50 FDIA Cn1cc([C@@H](Nc2cncc(C(=O)N3CCCC3)n2)[C@H]2C[C@@H](O)C2)cn1 218034496 ZHQMTELCGNWWSZ-JDFRZJQESA-N 356.430 1.370 70 50 FDIA CCn1ncc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)c1C 218208486 ILIWRPWAFQIGGV-QZTJIDSGSA-N 359.426 1.670 70 50 FDIA O=c1cc(CN2CCOCC2)oc(CN2CCc3ccccc3C2)c1O 218130818 DAQXLQOZYBVHAB-UHFFFAOYSA-N 356.422 1.736 70 50 FDIA O=C(NCc1n[nH]c(=O)[nH]1)c1ccccc1S(=O)(=O)Cc1ccccc1 217932117 BKVVBULQNOSQQJ-UHFFFAOYSA-N 372.406 1.002 70 50 FDIA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 218147028 MISJIDLXXFPKOY-CQSZACIVSA-N 354.366 1.799 70 50 FDIA Cc1cc(C)n2nc(CC(=O)N[C@@H]3CC(=O)Nc4ccccc43)nc2n1 217347393 BDGOWLMBPMUTJU-CQSZACIVSA-N 350.382 1.483 70 50 FDIA COCCCn1cc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)cn1 1875383749 AISCPXOIDGVZFH-UHFFFAOYSA-N 357.363 1.765 70 50 FDIA O=C(Nc1cncc(OS(=O)(=O)F)c1)c1cnc2c(c1)COCC2 1875387499 KSIFPYHIVHPYFO-UHFFFAOYSA-N 353.331 1.395 70 50 FDIA O=C(CCCc1nc(-c2cccnc2)no1)NCc1nnc2n1CCC2 218207124 IPMPECDWVSIBKH-UHFFFAOYSA-N 353.386 1.308 70 50 FDIA Cc1cc(=O)n(CC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)c2ccccc12 218586619 IGKCXGZODPZSEX-ZVEHZALQSA-N 355.438 1.144 70 50 FDIA Cn1cc([C@H](NS(=O)(=O)c2ccc(Cl)s2)C2CC(O)C2)cn1 218482932 ABPDZLZKNKLFEF-QDPIBXHXSA-N 361.876 1.926 70 50 FDIA CCOc1ccccc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2CC(=O)N(C)C 216681531 FEQLEXSQKHGUBB-SJORKVTESA-N 359.470 1.596 70 50 FDIA O=C(CN1CCCC1=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 218294027 SPIBRHDOKDJHNF-QJXPYNDKSA-N 353.422 1.785 70 50 FDIA CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)c3n[nH]c4ccccc34)C2)n1C 218131724 UMRWLAXYPGXEEC-HAQNSBGRSA-N 353.430 1.429 70 50 FDIA Cc1nc(N)nc(C)c1CC(=O)N1C[C@@H]2CC[C@H]1CN(C1CCOCC1)C2 216678672 BNVBYLCVOQODKC-WBVHZDCISA-N 373.501 1.320 70 50 FDIA CCCc1ccc(CN2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)o1 218558721 UQLLXUMQWWKDKU-KRWDZBQOSA-N 367.471 1.522 70 50 FDIA O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCN(C2CCCCC2)C(=O)C1 217041108 MQLZGDLEUQOHBN-UHFFFAOYSA-N 368.437 1.783 70 50 FDIA Cn1cc(C(=O)N2CCCO[C@H](CN3CCOCC3)C2)c2ccccc21 216976935 YNSPQPVIGLEEFV-MRXNPFEDSA-N 357.454 1.742 70 50 FDIA CC(=O)N1CCC(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)CC1 218259317 MGXQBZDHFPEMTK-RTBURBONSA-N 360.454 1.735 70 50 FDIA CSc1ncc(C(=O)N2CCC(CO)(CN3CCCC3)CC2)cn1 218296790 TXBKARDBNVPCSL-UHFFFAOYSA-N 350.488 1.509 70 50 FDIA O=C(CC1=CSC2=NCCCN12)NCc1nnnn1-c1ccccc1 217819300 VNSQOUZQULGCCW-UHFFFAOYSA-N 355.427 1.319 70 50 FDIA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1nnc(-c3ccccc3)o1)C2 216922019 IBYINBSBGZBUBM-ZFWWWQNUSA-N 362.455 1.592 70 50 FDIA CCc1nc(C)ccc1OCC(=O)N1CCCO[C@H](Cn2cccn2)C1 217977093 CRFWFCIXMNGGRD-INIZCTEOSA-N 358.442 1.845 70 50 FDIA O=C(CC1=CSC2=NCCCN12)N1CCCO[C@H](Cn2cccn2)C1 216986226 UBYHCDVLKCECND-HNNXBMFYSA-N 361.471 1.541 70 50 FDIA CNc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)ccn1 218557147 DDMQJXOZQFLJDL-CVEARBPZSA-N 360.414 1.832 70 50 FDIA CN(C)C[C@H]1[C@@H]2CN(C(=O)c3ccc(CN4CCN(C)CC4)cc3)C[C@H]12 218289203 NDNQAWYFCCXUOL-OWZKRDHZSA-N 356.514 1.314 70 50 FDIA CSCC[C@H](NC(C)=O)C(=O)N1CCC(O)(c2cccnc2)CC1 218257397 UHWCAYARAKUREC-HNNXBMFYSA-N 351.472 1.149 70 50 FDIA CC[C@@H](O)CN1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 161080752 UCONHQQTRFUCMT-MRXNPFEDSA-N 358.446 1.403 70 50 FDIA C[C@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)c1nc2ccccc2[nH]1 161127518 FFIIWHKLNDLVRL-JTQLQIEISA-N 362.411 1.897 70 50 FDIA Cc1nc([C@@H]2CCCN(C(=O)COc3ccc(-n4cnnn4)cc3)C2)no1 218707097 XHKPIKWCSVJXKQ-CYBMUJFWSA-N 369.385 1.139 70 50 FDIA Cc1cc(S(=O)(=O)NCC(=O)NCC[C@@H]2CCCCO2)ccc1F 217003352 YVNNUNVQHXFVKM-ZDUSSCGKSA-N 358.435 1.488 70 50 FDIA CC(C)[C@H](NC(=O)CCc1nnc(O)[nH]c1=O)c1nc2ccccc2n1C 218447808 YHJWQDGKUURRBH-HNNXBMFYSA-N 370.413 1.203 70 50 FDIA O=C(CN1CCc2ccccc2C1)NCCc1noc([C@H]2CCCO2)n1 217514665 IYBGHNGEVVTBPC-MRXNPFEDSA-N 356.426 1.638 70 50 FDIA COCCOCCOCCOCCOCCI 113645964 WPAHNAZXLUHBBI-UHFFFAOYSA-N 362.204 1.134 70 50 FDIA O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@H](CO)c1ccccc1 217920667 PECFTEHZNOZNMR-JKSUJKDBSA-N 371.393 1.330 70 50 FDIA biogenic Cc1cc(F)ccc1S(=O)(=O)NCC(=O)NCCc1scnc1C 217926656 TUPWCMIMQNYCMB-UHFFFAOYSA-N 371.459 1.536 70 50 FDIA Cc1nc(C)c(CC(=O)NCc2csc(-c3cnccn3)n2)c(=O)[nH]1 218111271 WFRNVKSYJVCZGG-UHFFFAOYSA-N 356.411 1.159 70 50 FDIA COc1ccc(C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)nn1 159878612 YPWALSREZDCJOF-UHFFFAOYSA-N 359.430 1.732 70 50 FDIA COCCNc1nc2cc(C(=O)NCc3cn(C)nc3C)ccc2n1C 217061175 UIHMHNMRRCRGKH-UHFFFAOYSA-N 356.430 1.604 70 50 FDIA CCCn1ncc(CN2CCCn3nc([C@@H](O)CN(C)C)cc3C2)c1C 218589704 BEODSAFSDHDRBS-IBGZPJMESA-N 360.506 1.799 70 50 FDIA Cc1cc2c(N[C@H]3[C@H]4CCO[C@H]4[C@@H]3NS(C)(=O)=O)ncnc2s1 218386671 FRBUPEJSJKUROD-SASUGWTJSA-N 354.457 1.117 70 50 FDIA COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)cc1Cl 160067251 BEHZMTVEZRHCRF-MRVPVSSYSA-N 367.254 1.901 70 50 FDIA O=C(NCCc1nc2ccccc2o1)[C@H]1Cc2ccccc2S(=O)(=O)N1 218038649 WUKCRFVYSJBHDA-CQSZACIVSA-N 371.418 1.390 70 50 FDIA CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Cc1c(F)cccc1Cl 160313834 PRMRCDRCOLJBSA-QMTHXVAHSA-N 362.854 1.856 70 50 FDIA Cc1cc(NC(=O)C2CCN(CCCS(=O)(=O)C(C)C)CC2)no1 160621463 WXCLQQNBIAMXJR-UHFFFAOYSA-N 357.476 1.847 70 50 FDIA O=C(CN1CCOc2ccccc2C1)N1CCCn2nc(CO)cc2C1 217037928 PESVAAZRWYIELX-UHFFFAOYSA-N 356.426 1.002 70 50 FDIA Cc1cc(C)n(CCNC(=O)c2c(C)cc(C)n(C[C@@H]3CCCO3)c2=O)n1 218534786 SSXRSZPVQCXOFZ-KRWDZBQOSA-N 372.469 1.887 70 50 FDIA O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1ccc2c(c1)OCCO2 218447542 PEMLLGLMWXKZGZ-HUUCEWRRSA-N 356.378 1.819 70 50 FDIA COC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3c(F)cccc3Cl)C[C@@]23C=C[C@H]1O3 217653281 IXXNRJWKESXNRA-OEUWWYETSA-N 351.761 1.934 70 50 FDIA CCO[C@@H]1COCC[C@H]1NC(=O)Cc1cc2c(cc1Cl)OCCO2 218306085 QJDQTVZEAAIVSR-CZUORRHYSA-N 355.818 1.964 70 50 FDIA Cc1nonc1CC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 217718595 QHFUDHGKKGYPFM-UHFFFAOYSA-N 362.337 1.140 70 50 FDIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1ccc2c(c1)OCC(=O)N2 218074651 JWPZXFRWAZNWGE-CVEARBPZSA-N 360.410 1.888 70 50 FDIA CN1C[C@]2(CCN(C(=O)Cc3cc4c(cc3Cl)OCCO4)C2)OC1=O 218507026 AEIRRYDAVLXSAI-KRWDZBQOSA-N 366.801 1.707 70 50 FDIA COC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)c(C(=O)OC)c[nH]c1=O 218106444 AKTYYWITDSACOY-GFCCVEGCSA-N 361.350 1.571 70 50 FDIA biogenic COc1ccc(C(=O)N[C@H]2C[C@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)o1 218173363 RLHIWEARUORBIT-FRRDWIJNSA-N 358.398 1.325 70 50 FDIA O=C(COc1ncnc2ccccc12)NCCc1noc([C@H]2CCCO2)n1 217913091 WJVGYUSETIDGNI-CQSZACIVSA-N 369.381 1.602 70 50 FDIA CC[C@H](O)c1cc2n(n1)CCN(C(=O)CCc1cn3ccccc3n1)C2 217567219 DIVBQHRWCUESPU-KRWDZBQOSA-N 353.426 1.949 70 50 FDIA O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1nnc[nH]1 218211457 ATNLOYYEPKKMCH-INIZCTEOSA-N 374.360 1.558 70 50 FDIA Cn1c(=O)[nH]cc(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1=O 217152590 BMSGATSCEFMBHQ-UHFFFAOYSA-N 368.393 1.164 70 50 FDIA CC(=O)N1CC(Nc2ccc(-c3nn4cnnc4s3)c(O)c2)=CC1=O 218573947 UQDLGKMGVQQTCG-UHFFFAOYSA-N 356.367 1.243 70 50 FDIA O=C(c1cc(-n2cnnn2)ccc1O)N1CC[C@@](O)(c2ccccc2)C1 218191069 GFJAOOFGQJMTBL-SFHVURJKSA-N 351.366 1.102 70 50 FDIA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1csnc1N 218637094 INRUYXAWGGKIOB-CHWSQXEVSA-N 352.416 1.434 70 50 FDIA C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2cnccn2)CC1 217963094 IJQOIIVCCAQKCL-CYBMUJFWSA-N 356.382 1.321 70 50 FDIA COc1cc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc2c1OCCO2 217837669 CNLKOZAQIVYPEN-NSHDSACASA-N 361.350 1.441 70 50 FDIA biogenic CSCc1ccc(C(=O)N2CCC(c3nnc(CO)n3C)CC2)o1 217213602 ZNISMROWOGMYCS-UHFFFAOYSA-N 350.444 1.783 70 50 FDIA O=C(c1ccc[nH]1)N1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 218305518 ZTFRKQGMDGIVBC-IBGZPJMESA-N 366.465 1.964 70 50 FDIA C[C@H](Cn1cncn1)NC(=O)c1cnc(SCc2ccccc2)nc1O 218391007 SXDGBHDIAJAMLQ-GFCCVEGCSA-N 370.438 1.885 70 50 FDIA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc2c(c1)OCO2 218007147 WLZRLSDFXJXCBQ-CZUORRHYSA-N 362.407 1.976 70 50 FDIA Cc1noc(CCNC(=O)c2c(C)cc(C)n(C[C@@H]3CCCO3)c2=O)n1 218609697 FUEASOIZWOFICQ-AWEZNQCLSA-N 360.414 1.308 70 50 FDIA O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1cccnc1 218309394 JSDBQABMSMGKRT-INIZCTEOSA-N 352.394 1.963 70 50 FDIA O=C(CN1CCOc2ccccc2C1)N1CCCO[C@H](Cn2cccn2)C1 216927178 YQLYGFICRJYVNC-SFHVURJKSA-N 370.453 1.395 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cnc(CN3CCCC3)s1)C2 216968772 QYPYIBXAFUPJGB-GFCCVEGCSA-N 361.471 1.645 70 50 FDIA CO[C@@H]1CCOC[C@H]1NC(=O)CCSc1nnc(-c2ccncc2)o1 218200497 QTDMCKPRKZPNAJ-CHWSQXEVSA-N 364.427 1.534 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCc1cn3ccccc3n1)C2 217164907 DWWSYGGJEVCMIH-CQSZACIVSA-N 353.426 1.949 70 50 FDIA NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2sccc2N)cc1 218302094 KSTFWRPDHUKOBY-ZIAGYGMSSA-N 361.423 1.396 70 50 FDIA O=C(CN1CCCn2nc(CO)cc2C1)Nc1nnc(C2CCC2)s1 217050455 ZRAFWIQHQXIQIL-UHFFFAOYSA-N 362.459 1.339 70 50 FDIA Cc1nc(O)nc(C)c1CCC(=O)NCCCc1nnc2ccccn12 218028993 QEDNIEMHAMZFHQ-UHFFFAOYSA-N 354.414 1.523 70 50 FDIA O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccccc1N1CCOCC1 217679155 HWQJJHMIJQYROI-MRXNPFEDSA-N 360.454 1.981 70 50 FDIA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC[C@]2(CNC(=O)O2)C1 218173265 HJRZLZVGDBMTKV-IBGZPJMESA-N 355.394 1.411 70 50 FDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1C[C@H]2CC[C@@H](O)C[C@H]2C1 1875382842 UDKVCNPSWFAKQD-NTZNESFSSA-N 358.391 1.904 70 50 FDIA NC(=O)c1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)cc1 218316569 HYDVAECAVGLHAZ-HUUCEWRRSA-N 361.423 1.346 70 50 FDIA CC[C@@]1(O)C(=O)N(c2cccc(C(=O)N[C@@H](C)c3ncnn3C)c2)N=C1C 218045296 BQWUKZPSUQCHFJ-VOJFVSQTSA-N 370.413 1.170 70 50 FDIA O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1nnc[nH]1 218211392 ATNLOYYEPKKMCH-MRXNPFEDSA-N 374.360 1.558 70 50 FDIA O=C1NC[C@@]2(CCCN(C(=O)COc3ncnc4ccccc34)CC2)O1 217776655 KZQODPCCLYBRJT-SFHVURJKSA-N 356.382 1.500 70 50 FDIA OCCO[C@@H]1COCC[C@H]1NC1CCN(c2ccc3c(c2)CCC3)CC1 218723223 PWEOZJPAMGHBIT-NHCUHLMSSA-N 360.498 1.900 70 50 FDIA C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)Cc1cccc(N(C)C)c1 159783825 CFVKYKGSVJIEML-PBHICJAKSA-N 367.515 1.218 70 50 FDIA NC(=O)C[C@H](c1ccsc1)c1oc(CN2CCOCC2)cc(=O)c1O 218552685 QNVUNSGMHASSKL-CYBMUJFWSA-N 364.423 1.246 70 50 FDIA COC(=O)CC1CCN(C(=O)COc2ccc(-c3nnn(C)n3)cc2)CC1 218306542 JGAPZGBZXQMLLA-UHFFFAOYSA-N 373.413 1.058 70 50 FDIA Cc1ccc2c(c1)N(CC(=O)N1CCC[C@H]1c1nc(C)n[nH]1)C(=O)CO2 218748473 VWMCRNVZUZCAMA-ZDUSSCGKSA-N 355.398 1.511 70 50 FDIA CSc1ncc(C(=O)NC[C@@H](c2cccnc2)N2CCOCC2)cn1 218373551 WFRMHQZFZACDIJ-HNNXBMFYSA-N 359.455 1.397 70 50 FDIA Cn1cc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)cn1 218402847 FVTWWOIBMQIPHL-ZDUSSCGKSA-N 361.789 1.523 70 50 FDIA CN(CCc1nccs1)S(=O)(=O)c1cnn(C2CCOCC2)c1 159624936 ZBOFIUQFOOOTOO-UHFFFAOYSA-N 356.473 1.554 70 50 FDIA CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)C1(c2ccccc2)CCC1 160241596 CYXUUNGXMYOEOM-ZBFHGGJFSA-N 350.484 1.942 70 50 FDIA Cc1ccc2c(c1)c(CNC(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)nn2C 218730315 MQKCELRYYUTQOJ-UHFFFAOYSA-N 363.377 1.342 70 50 FDIA Cc1nc2cc(C(=O)N3CCCn4nc([C@@H](O)CO)cc4C3)ccc2s1 216988582 VNACTAWLPXELFC-INIZCTEOSA-N 372.450 1.873 70 50 FDIA C[C@H](c1ccncn1)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 218365141 HKGKLPGNLRNMPX-CQSZACIVSA-N 353.426 1.943 70 50 FDIA O=C(CCSc1nnc(-c2ccncc2)o1)N1CCc2n[nH]cc2C1 218494527 JDKFJCHTROOASQ-UHFFFAOYSA-N 356.411 1.922 70 50 FDIA COCc1cc(=O)c(O)c([C@H](CC(N)=O)c2cc3ccccc3[nH]c2=O)o1 217621891 LXEFZCQEXGTIGD-GFCCVEGCSA-N 370.361 1.341 70 50 FDIA biogenic COc1ccc(Cl)cc1S(=O)(=O)N1CCCn2nc(CO)cc2C1 217120628 OMKWIUXLFVNIRO-UHFFFAOYSA-N 371.846 1.632 70 50 FDIA CN(CC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1)Cc1cccnc1 216921420 PWCAJRLGVGPIMH-MOPGFXCFSA-N 370.497 1.763 70 50 FDIA Cn1nc(CN2CCn3nc([C@H](O)CO)cc3C2)c2c(Cl)cccc21 218274669 OVYQODUAZFEXJQ-MRXNPFEDSA-N 361.833 1.465 70 50 FDIA Cn1cccc1CNC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21 218159507 JIGCKHQEFXGQDL-UHFFFAOYSA-N 360.439 1.668 70 50 FDIA O=C(c1cccs1)N1CCC(N2CCCn3nc(CO)cc3C2)CC1 217608632 OUJAUWUFWCOKLM-UHFFFAOYSA-N 360.483 1.947 70 50 FDIA Cn1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)n1 218423815 SRAZLYXOTZKYTN-AWEZNQCLSA-N 355.398 1.302 70 50 FDIA COc1ccccc1-c1nc(NC(=O)Cn2cc(OC)c(=O)cc2C)n[nH]1 218279087 RJDAIUOUEKXIPT-UHFFFAOYSA-N 369.381 1.598 70 50 FDIA C[C@]1(c2ccccc2)CC(=O)N(CCC(=O)NCCc2ccccn2)C1=O 218292842 JIFHZUKMMMRTPQ-OAQYLSRUSA-N 365.433 1.847 70 50 FDIA COc1cc2c(cc1OC)CN(C(=O)Cn1cnn(C(C)(C)C)c1=O)CC2 159594063 HVORKIXMTWKIQO-UHFFFAOYSA-N 374.441 1.402 70 50 FDIA O=C(CCc1ccccn1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 218180228 FQJZNTOOBRZVEB-RTBURBONSA-N 356.422 1.859 70 50 FDIA COCCn1c(C)cc(C)c(C(=O)NCCc2nnc3ccccn23)c1=O 218506825 HAULMSUJJWDGAO-UHFFFAOYSA-N 369.425 1.127 70 50 FDIA CCN1CCC[C@@H]1CNC(=O)c1c(C)cc(C)n(C[C@@H]2CCCO2)c1=O 218490542 YQJIVXPONLYOSF-SJORKVTESA-N 361.486 1.858 70 50 FDIA Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H](C)c2n[nH]c(=O)[nH]2)CC1 217115481 BSJHQKQASIVQQI-LBPRGKRZSA-N 357.414 1.136 70 50 FDIA O=C(CN1CCCCC1=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218297705 BAGKUAPBKGVMOR-PMTKGXAQSA-N 358.438 1.562 70 50 FDIA Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1cccc2c1OCCO2 159886299 AIFPFTISIZYUJW-SNVBAGLBSA-N 352.412 1.972 70 50 FDIA Cc1cc(C)n([C@H]2CCN(C(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C2)n1 218745343 BBPPTYVBSORXJN-ZDUSSCGKSA-N 353.382 1.117 70 50 FDIA O=C(CN1CCN(c2ncccn2)CC1)N1CC(Oc2ccccc2F)C1 218751015 DRJMYQWHTAIWLY-UHFFFAOYSA-N 371.416 1.028 70 50 FDIA C#Cc1cc(OS(=O)(=O)F)cc(C(=O)N2CCN(CC(C)C)CC2)c1 1875387901 DTFHNSHJXXEDJL-UHFFFAOYSA-N 368.430 1.675 70 50 FDIA Cc1cc([C@H]2CCCCN2C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)no1 218265145 SMAHTADSFPXDOP-OAHLLOKOSA-N 354.366 1.880 70 50 FDIA CNc1cc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C(N)=O)cc2)ccn1 218287622 YSHSDFMGVVSEFL-HZPDHXFCSA-N 370.409 1.189 70 50 FDIA Cc1ccc(C(=O)NCCC(=O)N2CCN(Cc3ccccn3)CC2)cc1 218425242 FWMHMPTZXCZKAM-UHFFFAOYSA-N 366.465 1.854 70 50 FDIA CCOC(=O)Cc1csc(NC(=O)Cn2cc(OC)c(=O)cc2C)n1 218338390 ZCKAJJLUVGSQGU-UHFFFAOYSA-N 365.411 1.366 70 50 FDIA Cc1ccccc1OC[C@H](O)C(=O)N1CCCN(Cc2cccnc2)CC1 217080759 POFZPDGKNSMIDI-IBGZPJMESA-N 369.465 1.864 70 50 FDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCN([C@@H]2CCOC2)CC1 1875382612 JAEZJCOLCCFIJG-CYBMUJFWSA-N 373.406 1.218 70 50 FDIA CCCN1C(=O)N[C@H](CC(=O)NCCc2nc3c(C)cccc3[nH]2)C1=O 216967291 YEXRBMHAWWWJCV-CYBMUJFWSA-N 357.414 1.251 70 50 FDIA CCN1CCN(C(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)CC1=O 218322919 LRNPWOIPPNVDNG-UHFFFAOYSA-N 364.467 1.203 70 50 FDIA COc1ccc2[nH]c(CCN(C)c3cc(C4CC(N)C4)nc(N)n3)nc2c1 218345874 CYRXMDQBDNWIDZ-UHFFFAOYSA-N 367.457 1.827 70 50 FDIA COc1cccc(C(=O)N2CCC(C(=O)N(C)Cc3cnccn3)CC2)c1 217876858 JOGZDMLOWKBVHF-UHFFFAOYSA-N 368.437 1.996 70 50 FDIA Cc1ccc2[nH]c(C(=O)N3CCCn4nc([C@H](O)CO)cc4C3)nc2c1 217956333 AJBWVKMAQHDHHT-MRXNPFEDSA-N 355.398 1.140 70 50 FDIA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1csc(CN(C)C)n1)C2 217073377 KOZBDSNXHZWKQN-OAHLLOKOSA-N 363.487 1.891 70 50 FDIA O=C(COc1ncnc2ccccc12)N1CCCO[C@@H](Cn2cccn2)C1 217505825 SBPDTOINWILLFA-OAHLLOKOSA-N 367.409 1.523 70 50 FDIA O=C(CN1CCCCC1=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218297759 BAGKUAPBKGVMOR-ALLBUHFWSA-N 358.438 1.562 70 50 FDIA COc1ccc([C@@H](NC(=O)CCc2n[nH]c(C)c2C)[C@H]2C[C@@H](O)C2)cn1 218491746 BNTFDRVHFATSIB-SPYBWZPUSA-N 358.442 1.991 70 50 FDIA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1ccc(O)cc1 218325328 QGVFXRUBIQPRAR-HNNXBMFYSA-N 357.366 1.155 70 50 FDIA O=C(NCCc1nc2ccccc2o1)[C@@H]1Cc2ccccc2S(=O)(=O)N1 218038567 WUKCRFVYSJBHDA-AWEZNQCLSA-N 371.418 1.390 70 50 FDIA CN1CCN(c2cc(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)ccn2)CC1 159866910 JBCOKNCYJQAFGX-PKOBYXMFSA-N 352.438 1.222 70 50 FDIA O=C(Cn1c(=O)oc2ccccc21)N1CCCO[C@@H](Cn2cccn2)C1 216913991 SWAUTPRLLULEDU-CQSZACIVSA-N 356.382 1.109 70 50 FDIA CN(CC(=O)N[C@@H]1CCOC[C@H]1OCC1CC1)Cc1ccccc1F 218615997 YFPIQZJDDGFJQT-QZTJIDSGSA-N 350.434 1.958 70 50 FDIA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCCn1ccnc1 218597217 SSLGGIDUIXSTJW-INIZCTEOSA-N 358.442 1.661 70 50 FDIA Cc1cccc(NC(=O)COc2coc(CN3CCOCC3)cc2=O)n1 218193982 GROXDHGUIBVBDP-UHFFFAOYSA-N 359.382 1.193 70 50 FDIA O=C(c1cc(F)c(F)cc1Cl)N1CCn2nc([C@@H](O)CO)cc2C1 217452373 ISOOKXYPJVHLEE-AWEZNQCLSA-N 357.744 1.496 70 50 FDIA COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)o1 218140664 CXHNGHFEHXVZDK-UKRRQHHQSA-N 350.371 1.997 70 50 FDIA O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ccc2nccn2c1 218310643 RKYSWWGOOSAILB-IAGOWNOFSA-N 352.394 1.833 70 50 FDIA Cc1n[nH]c([C@@H]2CCCN(C(=O)COc3ncnc4ccccc34)C2)n1 217102804 HZIOHCIMMCXSHF-CYBMUJFWSA-N 352.398 1.841 70 50 FDIA O=C(NCCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)c1cnccn1 218615021 RAHAAARGLGRDOU-INIZCTEOSA-N 364.409 1.837 70 50 FDIA NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2ccc(O)cc2)cc1 218126432 CPRRVZNCBPPGAK-IAGOWNOFSA-N 356.378 1.457 70 50 FDIA Cn1c(CN2CCN(C(=O)c3cccs3)CC2)nnc1[C@H]1C[C@@H](N)C1 218200668 MRIQFTZDZLNULU-JOCQHMNTSA-N 360.487 1.039 70 50 FDIA COc1cc(OC)c(C(=O)CCC(=O)N2CCc3n[nH]cc3C2)cc1OC 217195409 YQJRKOPMFKRBHK-UHFFFAOYSA-N 373.409 1.983 70 50 FDIA COc1ccc(CN2C(=O)N[C@@H](CC(=O)N3CCCC3)C2=O)cc1OC 217641501 MEAKFEYYRFZRQB-ZDUSSCGKSA-N 361.398 1.137 70 50 FDIA biogenic COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)C1CCN(C(=O)c2ccncc2)CC1 218283777 WWTCBCFRJPBYTO-MLHJIOFPSA-N 373.453 1.100 70 50 FDIA O=C(COc1ncnc2ccccc12)NCCc1noc([C@@H]2CCCO2)n1 217913014 WJVGYUSETIDGNI-AWEZNQCLSA-N 369.381 1.602 70 50 FDIA COc1cccc(N2CCN(C(=O)Cn3cc(OC)c(=O)cc3C)CC2)c1 218360085 VCMOBQWOCOBJMT-UHFFFAOYSA-N 371.437 1.523 70 50 FDIA CC1(C)CC(=O)C(CCS(=O)(=O)F)(CCS(=O)(=O)F)C(=O)C1 101012656 QXDPIUHWTLABLI-UHFFFAOYSA-N 360.400 1.310 70 50 FDIA Cc1ncc(Cl)c(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)n1 218125843 PTFFPWANPRQPOK-OLZOCXBDSA-N 368.846 1.999 70 50 FDIA CCc1nc(C)c(CC(=O)N2CCC(c3cc(O)nc(C)n3)CC2)c(=O)[nH]1 218081844 BULHEUFEYYFJNU-UHFFFAOYSA-N 371.441 1.393 70 50 FDIA O=C(COc1cccc(-n2cnnn2)c1)N1CCC[C@H](Cn2ccnc2)C1 218013196 CIWMXIQGZYEFIC-OAHLLOKOSA-N 367.413 1.176 70 50 FDIA O=C(Nc1ccc2nc[nH]c(=O)c2c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 218163451 ASYOOYRLITXDPC-LLVKDONJSA-N 352.350 1.503 70 50 FDIA OC1CCN(c2ccnc(N[C@H](c3ccccn3)[C@H]3C[C@H](O)C3)n2)CC1 218046806 JQOSBLDEFITSAB-JOQOYGCGSA-N 355.442 1.757 70 50 FDIA Cc1ccc2[nH]c([C@H](NC(=O)c3c[nH]c4ncnn4c3=O)C(C)C)nc2c1 217104121 VYDIASCSDJGTGC-CQSZACIVSA-N 365.397 1.729 70 50 FDIA O=C(COc1ncnc2ccccc12)N1CCCn2nc(CO)cc2C1 217598093 PAJTZMVIPGGIRO-UHFFFAOYSA-N 353.382 1.130 70 50 FDIA COC(=O)C[C@H](CC(C)C)c1oc(CN2CCOCC2)cc(=O)c1O 217773373 GOTZJHJGFFQCLV-ZDUSSCGKSA-N 353.415 1.870 70 50 FDIA biogenic C[C@H](O)c1cc2n(n1)CCCN(C(=O)CN(C)Cc1ccccc1F)C2 217948973 NXDPHRFQIRIACX-AWEZNQCLSA-N 360.433 1.940 70 50 FDIA Cc1nc(O)nc(C)c1CCC(=O)NC1CCN(C2CCOCC2)CC1 217994978 TZDZANOXPZDKLH-UHFFFAOYSA-N 362.474 1.491 70 50 FDIA Cn1nc2n(c1=O)C[C@H](C(=O)N1CCCN(c3ccc(F)cc3)CC1)CC2 218368906 XOYYMJJRJWSQGT-CQSZACIVSA-N 373.432 1.022 70 50 FDIA CCN1CCC[C@H]1CNC(=O)c1c(C)cc(C)n(C[C@@H]2CCCO2)c1=O 218490609 YQJIVXPONLYOSF-IRXDYDNUSA-N 361.486 1.858 70 50 FDIA Cc1c(CN2CCn3nc([C@H](C)O)cc3C2)c(=O)n(-c2ccccc2)n1C 218686856 MYPKDOKVXZTCCE-HNNXBMFYSA-N 367.453 1.750 70 50 FDIA C[C@@H](c1cccc(CN2CCN(CCN3CCOCC3)CC2)c1)N(C)C 217605122 LGGPSWXEYBHUHC-IBGZPJMESA-N 360.546 1.759 70 50 FDIA CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@@H]3CSCN23)c2ccccc21 217677765 WHZFXMKPVAUKLO-YLFCFFPRSA-N 369.446 1.962 70 50 FDIA O=C(NCCCc1nnc2ccccn12)C1(n2cnnn2)CCCCC1 218465420 YURFOEZFVFSVJL-UHFFFAOYSA-N 354.418 1.124 70 50 FDIA Cc1nc2cc(C(=O)N3CCCn4nc([C@H](O)CO)cc4C3)ccc2s1 216988599 VNACTAWLPXELFC-MRXNPFEDSA-N 372.450 1.873 70 50 FDIA O=C(COc1ccc(-n2cnnn2)cc1)NC[C@H]1OCCc2ccccc21 217546397 WIBLHHHUCBMPOY-GOSISDBHSA-N 365.393 1.471 70 50 FDIA Cn1nc(C(=O)NCCc2noc([C@@H]3CCCO3)n2)c2ccccc2c1=O 217010034 FQFBTYSVDMUZLG-ZDUSSCGKSA-N 369.381 1.141 70 50 FDIA O=C1[C@@H](N2CCN(S(=O)(=O)F)CC2)CCCN1Cc1ccccc1 1875368304 IADJJWAMLKGZON-HNNXBMFYSA-N 355.435 1.010 70 50 FDIA O=C(NCc1cc2ccccc2[nH]1)[C@H]1Cc2ccccc2S(=O)(=O)N1 217746672 SPKAVQKSESKXSU-MRXNPFEDSA-N 355.419 1.687 70 50 FDIA CC(=O)N1CC[C@@H]2N(C(=O)c3cccc(N(C)C)c3)CCC[C@@]2(CO)C1 216983514 YJWQDYBIJWSQPH-ICSRJNTNSA-N 359.470 1.588 70 50 FDIA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1c(F)cccc1Cl 218226282 KWQYFPBULNBWOP-QMMMGPOBSA-N 369.780 1.608 70 50 FDIA O=C(COc1cccc(C(=O)N2CC[C@@H]3CNC[C@@H]32)c1)N1CCCCC1 216744396 XSEMWZJGEBDLPN-AEFFLSMTSA-N 357.454 1.512 70 50 FDIA O=C(NCCc1noc([C@H]2CCCO2)n1)c1scc2c1OCCO2 217756694 OXNWRORIAGHAIL-SECBINFHSA-N 351.384 1.726 70 50 FDIA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1nnc3n1CCCCC3)C2 216923734 SFMKGHVEIWGJTO-OAHLLOKOSA-N 358.446 1.691 70 50 FDIA COCCn1cc(C(=O)Nc2n[nH]c(C3CC3)n2)c2ccccc2c1=O 218265347 JHKRQUVLSDAVTE-UHFFFAOYSA-N 353.382 1.896 70 50 FDIA O=C(Cn1nnc(-c2ccc(F)cc2)n1)NCCc1cn2ccsc2n1 218506466 WCWRKOUFNAHPNV-UHFFFAOYSA-N 371.401 1.547 70 50 FDIA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cc(F)c(F)c(F)c1 218302587 IMJINAGXVCFQOY-MRVPVSSYSA-N 371.315 1.233 70 50 FDIA Cc1nc([C@@H]2CCCN(C(=O)CN3CCOc4ccccc4C3)C2)no1 217151471 POXHHPMKOJYMMO-MRXNPFEDSA-N 356.426 1.979 70 50 FDIA O=C(c1ccncc1)N1CCC(N2CCCn3nc(CO)cc3C2)CC1 217031252 LSYPSUPCTPWWQX-UHFFFAOYSA-N 355.442 1.281 70 50 FDIA C#Cc1cc(OS(=O)(=O)F)cc(C(=O)N2Cc3c[nH]nc3[C@H](C)C2)c1 1875388226 RUOWVPNANBBUBK-SNVBAGLBSA-N 363.370 1.744 70 50 FDIA O=C(CCc1cnccn1)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1 218596684 BZOCSUYWCKBYMG-QZTJIDSGSA-N 357.410 1.254 70 50 FDIA COCCC1(C(=O)N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)CC1 160141873 JXFDJFYVRSWNNI-UHFFFAOYSA-N 356.426 1.664 70 50 FDIA COc1ccccc1N1C[C@@H](C(=O)N[C@H](CO)CCSC)CC1=O 218212582 XXDMNLOLXLYKJE-STQMWFEESA-N 352.456 1.278 70 50 FDIA O=C(COc1ccc(-n2cnnn2)cc1)NCc1n[nH]c2c1CCCCC2 218214851 WQSGSBJDXDVSKS-UHFFFAOYSA-N 367.413 1.350 70 50 FDIA O=C(c1cc(F)c(F)cc1Cl)N1CCn2nc([C@H](O)CO)cc2C1 217452459 ISOOKXYPJVHLEE-CQSZACIVSA-N 357.744 1.496 70 50 FDIA COc1cncc([C@H](NC(=O)C2(Cn3ccnc3)CC2)[C@H]2C[C@@H](O)C2)c1 218770296 PUBJRTSNXKARPB-FRFSOERESA-N 356.426 1.695 70 50 FDIA CC(C)c1cc(C(=O)N2CCN(Cc3ccccc3CO)CC2)nc(N)n1 218223437 QMNGZZPMXZMEQW-UHFFFAOYSA-N 369.469 1.633 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)COCc1nc3ccccc3[nH]1)C2 216957332 GFWSNLUGRKYAHX-GFCCVEGCSA-N 355.398 1.372 70 50 FDIA CCCc1cc(N2CCn3nc([C@@H](O)c4nccn4C)cc3C2)nc(C)n1 218233430 ADXDXJAYAIQFHD-GOSISDBHSA-N 367.457 1.769 70 50 FDIA Cc1ccc2[nH]c([C@@H](NC(=O)c3c[nH]c4ncnn4c3=O)C(C)C)nc2c1 217104103 VYDIASCSDJGTGC-AWEZNQCLSA-N 365.397 1.729 70 50 FDIA Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)c(C)o1 218440244 OIQIVQHNMDQHNM-IAGOWNOFSA-N 358.394 1.962 70 50 FDIA O=C(N[C@H]1CC[C@@H](CS(=O)(=O)F)C1)[C@@H]1CC(c2ccccc2)=NO1 2325886013 JJVOOGYEMBMTIG-ZLDLUXBVSA-N 354.403 1.764 70 50 FDIA Cn1cnc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c1 218014411 HAUWESNDCQDQMW-CABCVRRESA-N 351.428 1.073 70 50 FDIA CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCc1cccnc1 218389665 HXKGKQCIPMYMET-UHFFFAOYSA-N 358.423 1.724 70 50 FDIA CC(=O)Nc1ccc(CC(=O)N[C@@H]2CC[C@H](CS(=O)(=O)F)C2)cc1 2325885999 CICCDNAVGNWWBE-DZGCQCFKSA-N 356.419 1.772 70 50 FDIA C[C@@H](c1ccncn1)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 218365072 HKGKLPGNLRNMPX-AWEZNQCLSA-N 353.426 1.943 70 50 FDIA CS(=O)(=O)N1CCN(C(=O)c2cnc3cc(Cl)ccc3c2O)CC1 218387533 BKJJLSJJSSESAF-UHFFFAOYSA-N 369.830 1.311 70 50 FDIA O=C(c1nc2ccc(Cl)cn2c1F)N1CCCn2nc(CO)cc2C1 217154804 VWVIERRXYILPKQ-UHFFFAOYSA-N 363.780 1.862 70 50 FDIA O=C(CC1(n2cccc2)CCOCC1)Nc1cccc(-n2cnnn2)c1 218329389 QGADBVMCGFGHDQ-UHFFFAOYSA-N 352.398 1.998 70 50 FDIA CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCC1CCOCC1 218158669 QOJYPMACXKKZGZ-UHFFFAOYSA-N 365.455 1.556 70 50 FDIA Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(C(=O)CCC(F)(F)F)C2 218070909 RDEFDLJWVFMENV-CYBMUJFWSA-N 357.336 1.383 70 50 FDIA C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cnc(CN3CCCC3)s1)C2 216968790 QYPYIBXAFUPJGB-LBPRGKRZSA-N 361.471 1.645 70 50 FDIA CS(=O)(=O)c1ccc(CC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc1 218658988 TUBJYZAJVHIEGA-UHFFFAOYSA-N 359.407 1.119 70 50 FDIA Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cccc(F)c1)C2 218708634 PWFXIABEEADTGQ-GOSISDBHSA-N 369.400 1.884 70 50 FDIA Cn1ncnc1[C@H](NC(=O)CCn1cnc2ccccc2c1=O)C1CC1 218270232 LDAUTSJPTNSZLA-MRXNPFEDSA-N 352.398 1.183 70 50 FDIA COc1ccc(-c2noc(CNC(=O)Cc3nonc3C)n2)cc1OC 218081727 YQXZTYOXXSSVFD-UHFFFAOYSA-N 359.342 1.304 70 50 FDIA COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccco3)C2=O)cn1 218149519 KQZAESRSRNYWHD-ZDUSSCGKSA-N 358.354 1.523 70 50 FDIA NC(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccco3)C2=O)cc1 218172608 AVJRQTBJNNMGSA-AWEZNQCLSA-N 370.365 1.218 70 50 FDIA Cc1nc2c(C(=O)N3CCCn4nc([C@@H](O)CO)cc4C3)cccc2[nH]1 217559967 SEOQPUAEXNWCHK-INIZCTEOSA-N 355.398 1.140 70 50 FDIA CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)NCCn3cccn3)C2=O)cc1 218566991 ONELLLQWDHSGRW-INIZCTEOSA-N 369.425 1.638 70 50 FDIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc3[nH]c(CO)nc3c1)C2 217721871 IBAZTOHTLFQURQ-NSHDSACASA-N 355.398 1.351 70 50 FDIA COCc1noc(CN2CCn3nc([C@@H](O)c4ccccc4)cc3C2)n1 217811360 OEUINIQHCHDZOS-SFHVURJKSA-N 355.398 1.510 70 50 FDIA Cc1c(CN2CCn3nc([C@@H](C)O)cc3C2)c(=O)n(-c2ccccc2)n1C 218686771 MYPKDOKVXZTCCE-OAHLLOKOSA-N 367.453 1.750 70 50 FDIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCNc1ncccn1 218482855 DXVBWOAWKKBCLW-OAHLLOKOSA-N 371.441 1.276 70 50 FDIA COc1ccc(N2C(=O)N[C@@H](CC(=O)NCc3cccnc3)C2=O)cc1 218446949 BUXHWMUDSMXLLO-HNNXBMFYSA-N 354.366 1.222 70 50 FDIA CN1C[C@@]2(CCCN(C(=O)CCn3c(=O)[nH]c4ccccc43)C2)OC1=O 216911435 KZQNEYJKHPJYFV-GOSISDBHSA-N 358.398 1.163 70 50 FDIA COc1cc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc(OC)c1OC 217782354 LPFSCGFGACZUSO-LLVKDONJSA-N 363.366 1.687 70 50 FDIA biogenic C[C@H](c1cccc(CN2CCN(CCN3CCOCC3)CC2)c1)N(C)C 217605194 LGGPSWXEYBHUHC-LJQANCHMSA-N 360.546 1.759 70 50 FDIA CC(=O)c1cc(CN2CCCn3nc([C@H](O)CN(C)C)cc3C2)n(C)c1 218735862 URDKWRMHKODORQ-LJQANCHMSA-N 359.474 1.425 70 50 FDIA CCOCCOc1cccc(C(=O)N2CCN(c3ncc[nH]c3=O)CC2)c1 218341808 PRSOVKVMUWJXNF-UHFFFAOYSA-N 372.425 1.148 70 50 FDIA CC(=O)c1c(C)nn(CC(=O)N2CCC(Cc3noc(C)n3)CC2)c1C 218762749 XHYQCMQBKDXSFD-UHFFFAOYSA-N 359.430 1.875 70 50 FDIA COCCNc1nc2cc(C(=O)N(C)C[C@@H]3COCCO3)ccc2n1C 217514380 AXBMZCZITVQAIV-CQSZACIVSA-N 362.430 1.119 70 50 FDIA CC1CCN(Cc2ccc(C(=O)NCCSc3nnnn3C)o2)CC1 218768709 GNUAOGVZBYMQCI-UHFFFAOYSA-N 364.475 1.557 70 50 FDIA CCOC(=O)N1CCC(N2CCN(Cc3ccccc3)C[C@@H](O)C2)CC1 216920373 FADYOHIADXYPBV-LJQANCHMSA-N 361.486 1.786 70 50 FDIA O=C(CN1CCCCCC1=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218592883 PDUDFFHNICUQAF-MYKUNDNFSA-N 372.465 1.952 70 50 FDIA COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)cc1Cl 160067370 BEHZMTVEZRHCRF-QMMMGPOBSA-N 367.254 1.901 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCN(CCN1CCN(c3ccccc3)CC1)C2 217929491 DXCUKSZGQODVEW-QGZVFWFLSA-N 355.486 1.574 70 50 FDIA CCN1CCCN(C(=O)c2ccc3c(c2)nc(NCCOC)n3C)CC1 218761983 OLIFLOYNAJMIEI-UHFFFAOYSA-N 359.474 1.799 70 50 FDIA COc1ccc(CN2CCn3nc(CO)cc3C2)cc1Cn1cncn1 217707578 CERICRJLQCBQKG-UHFFFAOYSA-N 354.414 1.040 70 50 FDIA COc1ccc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)cc1C 217520064 OMVOBHSVNACPTE-UHFFFAOYSA-N 361.442 1.650 70 50 FDIA Cn1c(=O)oc2cc(NC(=O)N3CCCN(CC(F)F)CC3)ccc21 161192468 HUOMCFCVLXRMFN-UHFFFAOYSA-N 354.357 1.936 70 50 FDIA O=C1CN(c2cc(C3CC(O)C3)ncn2)CCN1Cc1ccccc1F 218065723 UXEGSWXCBVNNFV-UHFFFAOYSA-N 356.401 1.703 70 50 FDIA CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C1(c2ccccc2)CCC1 160241434 CYXUUNGXMYOEOM-GDBMZVCRSA-N 350.484 1.942 70 50 FDIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CSc1nc(C)cc(=O)[nH]1 218235503 NTEIDLCBWRNYGV-KGLIPLIRSA-N 367.471 1.427 70 50 FDIA Cc1ccc(F)c(S(=O)(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)c1 218598100 YZQMYSHMRSDMKE-TZDAIYRESA-N 353.419 1.658 70 50 FDIA O=C(Cn1cnc2ccccc2c1=O)NCCc1noc(C2CCCC2)n1 217562862 VSUIIHKWMUOPRM-UHFFFAOYSA-N 367.409 1.796 70 50 FDIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(O)c(OC)c1 217646454 BLMKBQLWHZMFQB-JTQLQIEISA-N 359.334 1.707 70 50 FDIA biogenic CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(F)c(F)c1 218279945 SAQSFDKXBFFXHB-SECBINFHSA-N 353.325 1.094 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(=O)n3cccc(O)c3n1)C2 217757155 SOEONZGBOOGKBZ-GFCCVEGCSA-N 355.398 1.056 70 50 FDIA Cc1noc(C)c1S(=O)(=O)N[C@H](Cc1ccncc1)C1CC(O)C1 217997478 ZJUPUMXJOOQTQX-YMAMQOFZSA-N 351.428 1.347 70 50 FDIA CC(=O)Nc1cccc2c1ccn2CC(=O)NCCCN1CCOCC1 218241395 HHOHDOJUZBOIKA-UHFFFAOYSA-N 358.442 1.438 70 50 FDIA Cn1cnc(-c2ccc(NC(=O)N3CC[C@@H](N4CCOCC4)C3)cc2)n1 160918922 MCSUDENBDYTDKP-MRXNPFEDSA-N 356.430 1.421 70 50 FDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)c1ccc(OC)c(OC)c1 218118477 QCRUQMMXVPVGGB-OJDYBEQGSA-N 357.428 1.032 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)C1(N3CCOCC3)CCCCC1)C2 216969026 XLAMGSLWDHEWAB-OAHLLOKOSA-N 362.474 1.314 70 50 FDIA CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C1(c2ccccc2)CCC1 160241736 CYXUUNGXMYOEOM-GOEBONIOSA-N 350.484 1.942 70 50 FDIA O=C(NCc1nnnn1-c1ccccc1)c1cccc(N2CCOCC2)c1 217353143 BJGAUNOVNIFKIF-UHFFFAOYSA-N 364.409 1.429 70 50 FDIA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cnc2cccnn12 218149380 GVCBJMXKHYIRSP-NVXWUHKLSA-N 352.394 1.833 70 50 FDIA CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCN(Cc2nnc[nH]2)CC1 218438086 WGCZMMGHFFOTPT-UHFFFAOYSA-N 369.469 1.795 70 50 FDIA Cc1ccn2cc(CNC(=O)[C@H]3Cc4ccccc4S(=O)(=O)N3)nc2c1 217907510 QHGUQLDSLXOAQG-OAHLLOKOSA-N 370.434 1.162 70 50 FDIA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(SC)cc1 218321631 WAQVIXPVGHULDH-GFCCVEGCSA-N 363.439 1.538 70 50 FDIA Cn1nnc2ccc(NC(=O)CCN3Cc4ccccc4C3=O)cc2c1=O 218264938 BWKPVHKVESHMOZ-UHFFFAOYSA-N 363.377 1.313 70 50 FDIA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1cccn2cnnc12 218585223 ZJJXKPMZMYEFOA-KGLIPLIRSA-N 359.411 1.290 70 50 FDIA Cn1cc([C@H](NC(=O)CCc2cn3ccccc3n2)[C@H]2C[C@H](O)C2)cn1 218761395 OXEPQKCTOGKFKQ-ACWOFJMJSA-N 353.426 1.629 70 50 FDIA Cc1cc(C)n2c(C(=O)N3CCCN(Cc4cccnc4)CC3)nnc2n1 217648744 NORYPYQUKIBASY-UHFFFAOYSA-N 365.441 1.484 70 50 FDIA COc1ccc2occ([C@H](CC(N)=O)c3oc(C)cc(=O)c3O)c(=O)c2c1 217791607 JJWHEOHATZZMBZ-NSHDSACASA-N 371.345 1.776 70 50 FDIA biogenic O=C(NCCN1CCc2ccccc2C1)c1cc(=O)n(-c2ccccc2)[nH]1 218276903 VHZYVOOAZUJKGR-UHFFFAOYSA-N 362.433 1.954 70 50 FDIA COc1cc2c(cc1OC)CN(C(=O)Cn1cnc(C(C)C)cc1=O)CC2 160685547 VLUCEMFQGWFWPH-UHFFFAOYSA-N 371.437 1.969 70 50 FDIA CSCC(=O)N1CCC[C@@]2(CO)CN(C(=O)c3ccncc3)CC[C@H]12 216846853 UEIOXSSPYDRJNA-YJBOKZPZSA-N 363.483 1.260 70 50 FDIA O=C(CN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 161094476 SAODERZDCKYCQH-CABCVRRESA-N 358.360 1.672 70 50 FDIA O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1cnc2ccccc2c1 217024440 VNHVJBCVVASABR-UHFFFAOYSA-N 368.437 1.881 70 50 FDIA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCn2nc(CO)cc2C1 217706358 VVERZHGECXVTJG-UHFFFAOYSA-N 352.394 1.041 70 50 FDIA Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(C(=O)Cc1ccc(F)cc1)C2 218455362 ZIUPJTDGVKGCIO-GOSISDBHSA-N 369.400 1.422 70 50 FDIA CCCc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)[nH]n1 218584704 KFFUCMGGDLACBR-UKRRQHHQSA-N 350.444 1.923 70 50 FDIA CCCOc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC(N)=O)cc1Cl 218701527 XTEBVOSFBAEATP-HIFRSBDPSA-N 370.833 1.518 70 50 FDIA Cc1noc(CCNC(=O)c2c(C)cc(C)n(C[C@H]3CCCO3)c2=O)n1 218609776 FUEASOIZWOFICQ-CQSZACIVSA-N 360.414 1.308 70 50 FDIA COc1cc2c(cc1CN1CCCn3nc(CO)cc3C1)OCCCO2 217029867 ZDLFMRDLPJYDSB-UHFFFAOYSA-N 359.426 1.951 70 50 FDIA Cn1nc2n(c1=O)C[C@H](C(=O)NCC1(c3ccc(F)cc3)CCCC1)CC2 218297015 CMGYXXGRQGXKRN-CQSZACIVSA-N 372.444 1.912 70 50 FDIA CCn1c(CN2CCN(c3ccccc3)C(=O)C2)nnc1[C@H]1C[C@H](N)C1 218054341 AMMNYDYCODKDMU-GASCZTMLSA-N 354.458 1.352 70 50 FDIA O=C(N[C@H]1CCCN(c2ncccn2)C1)c1cc(=O)n(-c2ccccc2)[nH]1 218027091 UJZXJNFAPYHWEB-AWEZNQCLSA-N 364.409 1.354 70 50 FDIA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1ccc(F)c(F)c1)C2 216932358 BSOAQSFUFSSYKX-KGLIPLIRSA-N 351.397 1.476 70 50 FDIA COCc1c(C(=O)N[C@@H](c2cncc(OC)c2)[C@H]2C[C@H](O)C2)noc1C 218782128 RCYIPEQQWUALCI-PVXIVEMSSA-N 361.398 1.775 70 50 FDIA Cc1ccc(N(CC(=O)NCCc2c(C)n[nH]c2C)S(C)(=O)=O)cc1 217463130 QTGQHQHZWXLBQS-UHFFFAOYSA-N 364.471 1.460 70 50 FDIA CC(C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O 217642601 BABQRDVADKRNIO-JKSUJKDBSA-N 361.442 1.063 70 50 FDIA biogenic O=C(Cn1cnc2ccsc2c1=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 218583823 OJXDQOPOYXMBAK-XHBSWPGZSA-N 370.434 1.481 70 50 FDIA CSCc1ccc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)o1 217407007 YPFRUEWQYPCELE-UHFFFAOYSA-N 367.471 1.789 70 50 FDIA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)CCc1cn3ccccc3n1)C2 217567131 DIVBQHRWCUESPU-QGZVFWFLSA-N 353.426 1.949 70 50 FDIA COC(=O)CCNC(=O)c1cn(Cc2ccncc2)c(=O)c2ccccc12 218530413 RUNFZQDNTHYCRR-UHFFFAOYSA-N 365.389 1.738 70 50 FDIA Cc1nc(N(C)C)ncc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 218635202 UBWPQLNDXYNQRY-IAGOWNOFSA-N 371.441 1.350 70 50 FDIA Cc1cc(N)n(CC(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)n1 218473235 LOGUJSIXJXGDOQ-ZOJXTTQQSA-N 356.426 1.337 70 50 FDIA Cc1cc(=O)c2cccc(C(=O)N3CCn4nc([C@H](C)O)cc4C3)c2[nH]1 216989422 XZFCFIDLGDJHAY-LBPRGKRZSA-N 352.394 1.742 70 50 FDIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cc3cccc4c3n(c2=O)CC4)o1 217881785 IDFMCTSXMDZAPV-CYBMUJFWSA-N 366.373 1.532 70 50 FDIA biogenic C[C@@H](O)c1cc2n(n1)CCN(C(=O)C1CCN(Cc3ccco3)CC1)C2 217749489 OVBXQQOKFNQGNM-CQSZACIVSA-N 358.442 1.784 70 50 FDIA CN(C)c1ccc(CCC(=O)N2CCc3c(c(C(N)=O)nn3C)C2)cc1 217138056 UCIZXQFIRGWOBE-UHFFFAOYSA-N 355.442 1.103 70 50 FDIA C[C@@H](Cn1cccn1)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 218782605 DOAHJTGUHRRRGV-JTQLQIEISA-N 374.392 1.738 70 50 FDIA Nc1cc(O)nc(CCNC(=O)Cc2cc3c(cc2Cl)OCCO3)n1 218765525 NDCZTFSJLHDYND-UHFFFAOYSA-N 364.789 1.090 70 50 FDIA COc1cc(OC)c([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1OC 217593060 ZDPJSBDGLPBNDV-LLVKDONJSA-N 363.366 1.687 70 50 FDIA biogenic C[C@H](O)c1cc2n(n1)CCN(C(=O)CCS(=O)(=O)c1ccccc1)C2 216976312 YAVUOOYBZMWGHC-ZDUSSCGKSA-N 363.439 1.143 70 50 FDIA COc1ccccc1-c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 217723026 DMAGQNSRGGHJRW-HZPDHXFCSA-N 361.419 1.250 70 50 FDIA Cc1cc(C)n(-c2cccc(CN(C)C(=O)Cc3cc(=O)[nH]c(N)n3)c2)n1 217206214 RIDOFQMSUGJJSB-UHFFFAOYSA-N 366.425 1.356 70 50 FDIA CCCN1C(=O)N[C@@H](CC(=O)NC2CCN(c3ccccc3)CC2)C1=O 218015461 MMYCJUWQIGSPAT-INIZCTEOSA-N 358.442 1.492 70 50 FDIA CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 218778623 HNWLURWNXCKJHN-NVXWUHKLSA-N 368.455 1.068 70 50 FDIA CC(C)n1c(CCNC(=O)CCc2nnc(O)[nH]c2=O)nc2ccccc21 218570024 UXSTVVQBHNGNTD-UHFFFAOYSA-N 370.413 1.093 70 50 FDIA COc1cn(CC(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)c(C)cc1=O 218249555 XWPVCLYKSOUKMK-UHFFFAOYSA-N 371.372 1.652 70 50 FDIA CC[C@@]1(O)C(=O)N(c2cccc(C(=O)N[C@H](C)c3ncnn3C)c2)N=C1C 218045461 BQWUKZPSUQCHFJ-ZMZPIMSZSA-N 370.413 1.170 70 50 FDIA O=c1cc(CN2CCc3ccccc3C2)oc(CN2CCOCC2)c1O 218158027 WWXNNNAPDBBCAG-UHFFFAOYSA-N 356.422 1.736 70 50 FDIA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CCn1ccnc1C 218279457 HYXCUYXQLOPYQE-SJORKVTESA-N 362.430 1.677 70 50 FDIA COc1ccnc(N2CCN(C(=O)c3scc4c3OCCO4)CC2)n1 217340871 OCNUNUKKAUXPRC-UHFFFAOYSA-N 362.411 1.280 70 50 FDIA Cn1cc([C@@H](NS(=O)(=O)c2ccc(Cl)s2)C2CC(O)C2)cn1 218482853 ABPDZLZKNKLFEF-RHYVWVDMSA-N 361.876 1.926 70 50 FDIA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)Cn2ccc3ccccc32)C1 218131375 GJYHWEOUYPMULE-GASCZTMLSA-N 353.426 1.807 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCN(c1cc(C(=O)N3CCCCC3)ccn1)C2 217095363 WHWQBIJOADNHKF-CQSZACIVSA-N 355.442 1.978 70 50 FDIA C[C@H](NC(=O)CCCNC(=O)c1cnccn1)c1nc2ccccc2[nH]1 218549022 SGFPPVYDGMAWGV-LBPRGKRZSA-N 352.398 1.740 70 50 FDIA Cc1ccc(OCc2occc2C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 217591441 SZGNFRAYCAUEOL-HUUCEWRRSA-N 365.407 1.055 70 50 FDIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc3oc(=O)n(C)c3c1)C2 217102749 YCYVELMUIOXOPC-NSHDSACASA-N 356.382 1.427 70 50 FDIA Cc1ccc2c(c1)N(CC(=O)N1CCC[C@@H]1c1nc(C)n[nH]1)C(=O)CO2 218748524 VWMCRNVZUZCAMA-CYBMUJFWSA-N 355.398 1.511 70 50 FDIA O=C(c1nccs1)c1cccnc1N1CCCn2nc(CO)cc2C1 217951593 FEEUNFSKZPKKMD-UHFFFAOYSA-N 355.423 1.868 70 50 FDIA COc1ccc(C(=O)CNC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1 218286111 JBCQMNKIQNBWKP-QGZVFWFLSA-N 354.362 1.784 70 50 FDIA O=C(Cc1cccc(O)c1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 216850779 IHBGPKPCGIQZJE-AEFFLSMTSA-N 365.433 1.979 70 50 FDIA COc1ccc2ncc(C(=O)NCCc3nnc4ccccn34)c(O)c2c1 218349711 VZZIRJJDYKRCSG-UHFFFAOYSA-N 363.377 1.964 70 50 FDIA CN(CC(=O)N1CCCO[C@H](CN2CCCCC2)C1)Cc1ccncc1 217337693 VCRIXNDEUOWDSA-LJQANCHMSA-N 360.502 1.617 70 50 FDIA Cc1cccc(=O)n1CCCNC(=O)CN1CCOc2ccccc2C1 216965656 PKHPQBYPUPUZGU-UHFFFAOYSA-N 355.438 1.558 70 50 FDIA CCc1n[nH]c(SCC(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)n1 218123688 TVMIBTDWNJPZOF-STQMWFEESA-N 354.476 1.407 70 50 FDIA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)c1ccc(CO)o1 218748014 BXGWDNBVRQLOIK-CABCVRRESA-N 350.371 1.481 70 50 FDIA O=C(c1ccc(-c2ccco2)cc1)N1CCN(c2ncc[nH]c2=O)CC1 217431487 UXNLZZBTBUALPS-UHFFFAOYSA-N 350.378 1.992 70 50 FDIA COCCNc1nc2cc(C(=O)N3CCc4n[nH]cc4C3)ccc2n1C 217174513 WLDQTOQAQSWFQW-UHFFFAOYSA-N 354.414 1.553 70 50 FDIA Cc1c(CNC(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)oc2ccccc12 218686493 UZIVILPHTWZPNC-CQSZACIVSA-N 364.467 1.866 70 50 FDIA NC(=O)COc1ccc(Cl)cc1CN1CCCn2nc(CO)cc2C1 216996599 MLDKXQDACGNYHI-UHFFFAOYSA-N 364.833 1.299 70 50 FDIA Cc1onc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)c1CO 218767839 AYVOSJGRUOQESJ-OLZOCXBDSA-N 353.400 1.036 70 50 FDIA COCCc1noc([C@@H]2CCCCN2C(=O)c2n[nH]c(N)c2Cl)n1 218361938 DWPVZROGICUWCH-QMMMGPOBSA-N 354.798 1.585 70 50 FDIA CN(Cc1cccnc1)C(=O)c1ccc(CN2CCS(=O)(=O)CC2)cc1 218311657 OXHJOWQVAPSLMF-UHFFFAOYSA-N 373.478 1.584 70 50 FDIA COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccccn3)C2=O)cc1 218525700 LQBBFYQKVIXZRO-INIZCTEOSA-N 368.393 1.612 70 50 FDIA CC(C)CC(=O)N1CCN(Cc2ccsc2)[C@@H]2CS(=O)(=O)C[C@@H]21 216935892 JCQHJAYFMYSLSA-CABCVRRESA-N 356.513 1.604 70 50 FDIA CSc1ncccc1C(=O)NC1CCN(C(=O)N2CCOCC2)CC1 217622266 LGDCZEIJFNCQLT-UHFFFAOYSA-N 364.471 1.450 70 50 FDIA CC(C)(O)CCc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCCO)c1 218491916 HYNDPUDJCQHFAO-IAGOWNOFSA-N 351.443 1.286 70 50 FDIA Cn1cc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)c2ccccc21 217033412 LEPZUHQDCCMDNP-UHFFFAOYSA-N 370.453 1.825 70 50 FDIA COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3ccco3)C2=O)cc1 218540879 WCLDUPVQMODQJH-INIZCTEOSA-N 371.393 1.852 70 50 FDIA CC(C)(C)S(=O)(=O)CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 160169166 LOIIWHVAAROFIG-MRXNPFEDSA-N 352.500 1.981 70 50 FDIA Cc1nc2ccc(S(=O)(=O)N3CCn4nc(CO)cc4C3)cc2s1 217796036 JYFRXJGXHVSWMF-UHFFFAOYSA-N 364.452 1.498 70 50 FDIA O=C(Cc1ccc(C(F)(F)F)cc1)N1C[C@H](O)[C@@H](N2CCOCC2)C1 218345408 DHVXNUQMXUZZPA-GJZGRUSLSA-N 358.360 1.152 70 50 FDIA CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@H](Cn3ccnn3)C2)c1CC 160406820 CNSNUULFGRHGCH-ZDUSSCGKSA-N 373.461 1.108 70 50 FDIA CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1 160118478 VWNSZFGHZDFUAQ-CQSZACIVSA-N 360.439 1.886 70 50 FDIA CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 218208392 QINNBCZMAYXQOG-VNHYZAJKSA-N 362.426 1.334 70 50 FDIA Nc1nc2c(c(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@@H](O)C3)n1)CCCC2 218526061 CZRMEQBNTQFRHN-XHBSWPGZSA-N 353.426 1.575 70 50 FDIA O=C(Cc1cnc2ccccn12)N[C@@H]1COCC[C@@H]1OCc1cscn1 218522248 VEKWWBUDAMVENX-CVEARBPZSA-N 372.450 1.824 70 50 FDIA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1c[nH]c(=O)c(Cl)c1 218283154 MPGZHQBUIRIMBR-CHWSQXEVSA-N 369.830 1.589 70 50 FDIA O=c1cc(CO)oc(CN2CCC(c3nnc4ccccn34)CC2)c1O 218614799 HELNJEJRTPKWBL-UHFFFAOYSA-N 356.382 1.260 70 50 FDIA O=C(c1cccc2c1OCCO2)N1CCn2nc([C@@H](O)C3CC3)cc2C1 218113230 KGTSIBYCSYTSDA-KRWDZBQOSA-N 355.394 1.754 70 50 FDIA CCc1ccc(CN(C)C(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)nc1 218435935 CULAHVIYEDBMBJ-MRXNPFEDSA-N 353.488 1.111 70 50 FDIA O=C(CCCc1cccs1)N1CCN(c2ccnc3nncn23)CC1 217173029 CPAHGWBIKNEVJR-UHFFFAOYSA-N 356.455 1.857 70 50 FDIA CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 218462027 WOWSSYHMGBFMNN-CHWSQXEVSA-N 372.468 1.203 70 50 FDIA Cc1ccc(F)c(S(=O)(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)c1 218598041 YZQMYSHMRSDMKE-IJGSQOGDSA-N 353.419 1.658 70 50 FDIA Cc1c(C(=O)N2CC[C@@H](N)C2)nnn1-c1cccc(Br)c1 160210885 JXGTZYFYLAORLH-LLVKDONJSA-N 350.220 1.511 70 50 FDIA O=C(CN1CCCCCCC1)NCCn1[nH]c(=O)c2ccccc2c1=O 218130130 WIGTUPVYEISRGE-UHFFFAOYSA-N 358.442 1.072 70 50 FDIA COc1cccc(CN2CCN(c3cc(C4CC(N)C4)nc(N)n3)CC2)c1 218384463 OHAKMTLKLIJQSL-UHFFFAOYSA-N 368.485 1.594 70 50 FDIA NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)Cc2cccnc2)cc1 218566689 GVLTYDMQAQZLME-IAGOWNOFSA-N 355.394 1.076 70 50 FDIA CC(=O)c1c(C)nn([C@@H](C)CC(=O)N2Cc3nc(C)n(C)c(=O)c3C2)c1C 218709590 AWLWFMPTKNTSMF-JTQLQIEISA-N 371.441 1.598 70 50 FDIA O=C(NCCc1noc([C@@H]2CCCO2)n1)c1scc2c1OCCO2 217756631 OXNWRORIAGHAIL-VIFPVBQESA-N 351.384 1.726 70 50 FDIA O=C(CN1CCOc2ccccc2C1)N[C@H]1CCCN(c2cnccn2)C1 217691020 JMPDNYJIQCAVOB-KRWDZBQOSA-N 367.453 1.456 70 50 FDIA O=C1N=C(N2CCOCC2)S/C1=C\c1cccc(S(=O)(=O)F)c1 2325891036 MPWADEGUWFNGAG-XFXZXTDPSA-N 356.400 1.647 70 50 FDIA CC(=O)N[C@@H]1[C@@H](NC(=O)c2cccc(CCC(C)(C)O)c2)[C@H]2CCO[C@H]21 218484148 CSSHYBOIVGEILS-XMTFNYHQSA-N 360.454 1.412 70 50 FDIA Cc1nn(CC(=O)N2C[C@@H]3CC[C@H]2CN(C2CCOCC2)C3)cc1Cl 216981342 FURAEEVVKKSWBG-ZBFHGGJFSA-N 366.893 1.947 70 50 FDIA O=C(N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1)c1cn2ccsc2n1 218463310 JOTXYTMEHKPPNG-HZPDHXFCSA-N 373.434 1.854 70 50 FDIA Cc1[nH]c2c(C(=O)N3CCn4nc([C@@H](O)CO)cc4C3)cccc2c1C 217432434 NZAWOQQEXXCLAR-KRWDZBQOSA-N 354.410 1.663 70 50 FDIA COc1ccccc1CNC(=O)CN1CCn2nc([C@@H](O)C3CC3)cc2C1 218221259 UGGZGDSVJQWOGA-FQEVSTJZSA-N 370.453 1.467 70 50 FDIA O=C(c1cc(O)no1)N1CCCn2nc([C@H](O)c3ccccc3)cc2C1 217007181 GALSQHFNYJFZJA-QGZVFWFLSA-N 354.366 1.705 70 50 FDIA O=C(c1cccnc1)N1CCC(N[C@@H]2COCC[C@@H]2OCC2CC2)CC1 218382920 UUHVNSHLJWIEBP-MOPGFXCFSA-N 359.470 1.860 70 50 FDIA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N[C@@H]1CCOC[C@H]1OCCO 218358733 RANITFJQNAWCJA-IAGOWNOFSA-N 360.454 1.918 70 50 FDIA COc1ccc(C2(C(=O)N3CCN(Cc4nccn4C)CC3)CC2)cc1 217122155 XLRHULBMMHHYFU-UHFFFAOYSA-N 354.454 1.805 70 50 FDIA CN(C)c1ccc(CC(=O)N2CCC[C@H](c3nnc(CO)n3C)C2)cc1 217761651 YFKYBBJKHQXNSJ-HNNXBMFYSA-N 357.458 1.322 70 50 FDIA COCc1nc(C)c(CNC(=O)[C@H](C)Sc2nc(C)cc(=O)[nH]2)s1 218496739 KVJHXQKXQJGAFI-JTQLQIEISA-N 368.484 1.787 70 50 FDIA Cc1nc(C)c(CC(=O)NCc2cnn(-c3ccccc3C)c2)c(=O)[nH]1 217550698 APIASFVJCODQQI-UHFFFAOYSA-N 351.410 1.740 70 50 FDIA CCc1nn(C)c(Cl)c1CN1CCCn2nc([C@@H](O)CO)cc2C1 217169872 DFKUHDWRMPOHAY-HNNXBMFYSA-N 353.854 1.264 70 50 FDIA C[C@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)C[C@H](C)S1(=O)=O 1875387383 FPHPNPYHKZDCAB-QWRGUYRKSA-N 351.421 1.287 70 50 FDIA O=C(C[C@H]1COc2ccccc2O1)Nc1cncc(OS(=O)(=O)F)c1 1875387697 UBHUZYXOXLNMKB-LBPRGKRZSA-N 368.342 1.843 70 50 FDIA CCc1ccc(S(=O)(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)s1 218551141 JMCCPZMVEXBJLV-QHAMSDLMSA-N 355.485 1.835 70 50 FDIA O=C(Cn1cnc2ccsc2c1=O)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 218583909 OJXDQOPOYXMBAK-MKBNYLNASA-N 370.434 1.481 70 50 FDIA O=C(CCc1cc(Cl)no1)NC[C@@H](c1ccccn1)N1CCOCC1 217158792 DCCLCDQTFVJVGY-HNNXBMFYSA-N 364.833 1.845 70 50 FDIA O=C(Cn1cnc2ccsc2c1=O)NC[C@@H]1CCCN2CCCC[C@H]12 217612363 SOXYTSYVOZAGBS-DZGCQCFKSA-N 360.483 1.839 70 50 FDIA biogenic Cn1nc(C(N)=O)c2c1CCN(C(=O)CCSCc1ccccc1)C2 218188764 HGLFICYKAVADMU-UHFFFAOYSA-N 358.467 1.727 70 50 FDIA Cc1n[nH]c(C)c1CCNC(=O)c1ccc(C(=O)N2CCOCC2)cc1 218199651 RCBUPWKENKAZKT-UHFFFAOYSA-N 356.426 1.471 70 50 FDIA C[C@@H](O)CNc1c(N2CCN(Cc3ccccc3Cl)CC2)c(=O)c1=O 218366449 KBICJRZONDWHPK-GFCCVEGCSA-N 363.845 1.051 70 50 FDIA CN1CCN([C@@H]2CCN(C(=O)CCCN3Cc4ccccc4C3)C2)CC1 217188978 BFSZVOGZHOVOPM-HXUWFJFHSA-N 356.514 1.631 70 50 FDIA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1cc(=O)nc2sccn12 218256618 VXSNQQMFSGAGTF-YUTCNCBUSA-N 370.434 1.263 70 50 FDIA O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CCNCC1 159424199 IEUOHRHUKGKWNN-UHFFFAOYSA-N 353.195 1.819 70 50 FDIA COc1ccc2c(c1)c(C(=O)NCc1ccc(S(N)(=O)=O)cc1)cn2C 218214093 LPGZHDUXONMATB-UHFFFAOYSA-N 373.434 1.764 70 50 FDIA CC(C)(C)c1ncc(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)s1 160845386 TZNNYLBKPFHFFS-UHFFFAOYSA-N 352.460 1.924 70 50 FDIA COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)cc(C)oc1=O 218016142 QGTAYUGEUWBFQN-GFCCVEGCSA-N 372.377 1.539 70 50 FDIA biogenic Cc1cc(C)n2nc(CC(=O)N[C@H]3CC(=O)Nc4ccccc43)nc2n1 217347466 BDGOWLMBPMUTJU-AWEZNQCLSA-N 350.382 1.483 70 50 FDIA O=S(=O)(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1c[nH]c2ncccc12 161267023 ONMKUMXPRPLLLY-CYBMUJFWSA-N 370.434 1.926 70 50 FDIA COCCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 218233912 WFXDPGPHLOPUIE-CALCHBBNSA-N 370.453 1.582 70 50 FDIA CNS(=O)(=O)c1cc(C(=O)NCCOc2ccc(Cl)cc2)co1 159653490 BJYROKIGRMIKLQ-UHFFFAOYSA-N 358.803 1.650 70 50 FDIA O=C(CCc1ccncc1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 218147973 OWZOYRPWZIJGGP-RTBURBONSA-N 356.422 1.859 70 50 FDIA Cn1cnc(-c2ccc(NC(=O)N3CCN(C4CCOCC4)CC3)cc2)n1 160930962 FZQSOBDWHSYURJ-UHFFFAOYSA-N 370.457 1.811 70 50 FDIA O=C(c1cccnc1N1CCCn2nc(CO)cc2C1)N1CCCCC1 217407162 WGPSCABDPSVQLB-UHFFFAOYSA-N 355.442 1.807 70 50 FDIA CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 218208318 QINNBCZMAYXQOG-UMVBOHGHSA-N 362.426 1.334 70 50 FDIA Cc1cc(N)n(CC(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)n1 218473305 LOGUJSIXJXGDOQ-JFIBYHEFSA-N 356.426 1.337 70 50 FDIA O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1c[nH]c(=O)c2ccccc12 218472402 WHVRDFLNZLTHKM-UHFFFAOYSA-N 374.393 1.871 70 50 FDIA O=C(NC[C@@H]1CCCS1(=O)=O)N1CCCN(c2ccccc2)CC1 160025583 ULFZSPUFGDMLLD-INIZCTEOSA-N 351.472 1.486 70 50 FDIA O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCCN(c2cnccn2)C1 217796846 QSWPPWCUQYMTQR-ZDUSSCGKSA-N 353.382 1.170 70 50 FDIA COc1cc2c(cc1C(=O)N[C@@H]1CCOC[C@H]1OCCN(C)C)CCC2 218027988 KGUJEEWGZFVYFW-IEBWSBKVSA-N 362.470 1.649 70 50 FDIA OC[C@@H](O)c1cc2n(n1)CCCN(C1CCN(Cc3ccco3)CC1)C2 217201682 RNJKUFDIHCFFMJ-LJQANCHMSA-N 360.458 1.372 70 50 FDIA O=C(Cc1cccs1)N[C@H]1C[C@@H](c2cc(N3CC[C@H](O)C3)ncn2)C1 218113834 BEHSRTDTZOQVQN-IHRRRGAJSA-N 358.467 1.714 70 50 FDIA CCN1CCN(C(=O)c2cc(Cl)ccc2OS(=O)(=O)F)CC1 1875374426 PNPXLWUABBAGRM-UHFFFAOYSA-N 350.799 1.711 70 50 FDIA CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)c3cccnc3N(C)C)C2)n1C 218638595 ONOVOKBFZQLHFL-JOCQHMNTSA-N 357.462 1.014 70 50 FDIA O=S(=O)(F)N1CCC[C@H](c2nnc3n2C[C@H](C(F)(F)F)CC3)C1 1875368441 RIXYFPQRLXLTEV-DTWKUNHWSA-N 356.345 1.797 70 50 FDIA C[C@H](NC(=O)CCCNC(=O)c1cnccn1)c1nc2ccccc2n1C 218536772 NVFOUHUPCXVQKE-ZDUSSCGKSA-N 366.425 1.751 70 50 FDIA Cn1nc(C(=O)NCCc2noc([C@H]3CCCO3)n2)c2ccccc2c1=O 217010082 FQFBTYSVDMUZLG-CYBMUJFWSA-N 369.381 1.141 70 50 FDIA CSCC[C@H](N)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 159745605 VGOLFEWSOXRZOY-JSGCOSHPSA-N 355.891 1.984 70 50 FDIA Cc1c(F)cccc1CN1CCn2nc([C@H](O)CC(=O)N(C)C)cc2C1 218300346 BOHLOVPGZYVPHM-GOSISDBHSA-N 360.433 1.858 70 50 FDIA CCCN1C(=O)N[C@H](CC(=O)NC2CCN(c3ccccc3)CC2)C1=O 218015544 MMYCJUWQIGSPAT-MRXNPFEDSA-N 358.442 1.492 70 50 FDIA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)CCn1nnc3ccccc31)C2 217145883 QHFXMXNSKRNDBZ-QGZVFWFLSA-N 354.414 1.504 70 50 FDIA CN1C[C@]2(CCCN(C(=O)CCn3c(=O)[nH]c4ccccc43)C2)OC1=O 216911467 KZQNEYJKHPJYFV-SFHVURJKSA-N 358.398 1.163 70 50 FDIA CCc1ccc2nc(C)cc(C(=O)N3CCN[C@@H]4CS(=O)(=O)C[C@@H]43)c2c1 216713031 FLIGTBZOASGRDV-MSOLQXFVSA-N 373.478 1.317 70 50 FDIA O=C(CCN1CCCn2nc([C@H](O)C3CC3)cc2C1)NCc1ccco1 218577064 OBEQKFGOWFBCCF-LJQANCHMSA-N 358.442 1.832 70 50 FDIA Cc1nc2c(C(=O)N3CCCn4nc([C@H](O)CO)cc4C3)cccc2[nH]1 217560039 SEOQPUAEXNWCHK-MRXNPFEDSA-N 355.398 1.140 70 50 FDIA CCc1c(C(=O)N(CC(F)F)C(C)C)cnc2c1c(=O)n(C)c(=O)n2C 160512162 WILHWBLLPNDIDZ-UHFFFAOYSA-N 368.384 1.310 70 50 FDIA O=C(CCc1nc2cc(F)ccc2[nH]1)N1CCCn2nc(CO)cc2C1 217433358 BTVHUZXXJAUOLY-UHFFFAOYSA-N 357.389 1.756 70 50 FDIA CCc1nc(C)ccc1OCC(=O)N1CCC[C@H](c2nnc(CO)n2C)C1 217908667 VQXYBVGTECLADH-AWEZNQCLSA-N 373.457 1.358 70 50 FDIA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccccc1N1CCC(=O)NC1=O 217381418 PRFKBBGQFUEDEI-SNVBAGLBSA-N 355.398 1.964 70 50 FDIA Cc1nc2ccccc2n1CCC(=O)NCc1nc(-c2cnccn2)n[nH]1 217689270 PKYJRLOTZRCOMA-UHFFFAOYSA-N 362.397 1.626 70 50 FDIA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)c1ccc(CN)cc1 217996283 ABEFXVJLINDAIQ-MSOLQXFVSA-N 359.426 1.854 70 50 FDIA Cc1ccc2oc(=O)n(CCC(=O)N3CCn4nc(CO)cc4C3)c2c1 217654518 FVQKAJWAMQJTCM-UHFFFAOYSA-N 356.382 1.024 70 50 FDIA CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccc(F)c(F)c1)C2 218029316 QXGKDWVOTLGQED-KRWDZBQOSA-N 364.396 1.689 70 50 FDIA Cc1cccc(=O)n1CCCNC(=O)Cn1ccc(=O)c2ccccc21 218119974 YBSCZQDTJWPRKX-UHFFFAOYSA-N 351.406 1.678 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc3oc(=O)n(C)c3c1)C2 217102729 YCYVELMUIOXOPC-LLVKDONJSA-N 356.382 1.427 70 50 FDIA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cc(-n2cnnn2)ccc1O 217366863 YNALARFMPNVYPT-UHFFFAOYSA-N 367.344 1.656 70 50 FDIA COC(=O)c1cc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)n(C)n1 1875384299 DPESHHIHDAAWLU-UHFFFAOYSA-N 357.319 1.052 70 50 FDIA COCCn1nnc2ccc(NC(=O)Cc3ccccc3OC)cc2c1=O 218425849 LIQZJKFCJFTUMF-UHFFFAOYSA-N 368.393 1.628 70 50 FDIA COC(=O)C[C@@H](c1cccnc1)c1oc(CN2CCOCC2)cc(=O)c1O 217841319 XUJSRGIHZSWGGO-HNNXBMFYSA-N 374.393 1.268 70 50 FDIA biogenic Cc1nc(O)nc(C)c1CCC(=O)N1CCCn2nc([C@H](C)O)cc2C1 217861172 RHZYLKOTORMQOB-ZDUSSCGKSA-N 359.430 1.414 70 50 FDIA O=C1CCC(CCC(=O)N[C@H]2CC[C@@H](C(=O)NC3CCCCC3)C2)=NN1 216913233 UDELSCPTUWGOMG-CJNGLKHVSA-N 362.474 1.766 70 50 FDIA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCNc1ncccn1 218482775 DXVBWOAWKKBCLW-HNNXBMFYSA-N 371.441 1.276 70 50 FDIA Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(C(=O)COc1ccccc1)C2 218448410 WOYHDPIECCAICR-GOSISDBHSA-N 367.409 1.120 70 50 FDIA COc1ccc(OC)c(CC(=O)N2CCN(CC(C)C)[C@@H](CCO)C2)c1 218564125 DPCHXBBZYXUBMM-KRWDZBQOSA-N 364.486 1.798 70 50 FDIA CC[C@H](Sc1nc2ccccc2o1)C(=O)NCCc1noc(CO)n1 218462319 AZAFQNHNBITFPN-LBPRGKRZSA-N 362.411 1.933 70 50 FDIA COc1cncc([C@@H](NC(=O)C2(Cn3ccnc3)CC2)[C@H]2C[C@@H](O)C2)c1 218770236 PUBJRTSNXKARPB-QRTARXTBSA-N 356.426 1.695 70 50 FDIA COc1ccc(N2C(=O)N[C@@H](CC(=O)NCC3CCOCC3)C2=O)cc1 218565097 YPMRFZFRMNFFEH-HNNXBMFYSA-N 361.398 1.053 70 50 FDIA COCc1noc(CN2CCn3nc([C@H](O)c4ccccc4)cc3C2)n1 217811443 OEUINIQHCHDZOS-GOSISDBHSA-N 355.398 1.510 70 50 FDIA Cc1nc(CN2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)no1 218639926 NBILPTJTHLVMEH-UHFFFAOYSA-N 371.441 1.173 70 50 FDIA O=C(CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 161094618 SAODERZDCKYCQH-HUUCEWRRSA-N 358.360 1.672 70 50 FDIA O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H]1c2ccccc2C[C@H]1O 159837350 XKMQBIDUWOZITM-IFMALSPDSA-N 365.477 1.973 70 50 FDIA O=C(c1cccc(N2CCOCC2)c1)N1CCCn2nc(CO)cc2C1 217603082 SYOSCDDSAPQIQI-UHFFFAOYSA-N 356.426 1.258 70 50 FDIA O=C(CCn1cnc2ccccc2c1=O)NCC1(Cn2cccn2)CC1 218712619 JGTDAFZZAWKBEB-UHFFFAOYSA-N 351.410 1.580 70 50 FDIA O=C1NC[C@]2(CCCN(C(=O)COc3ncnc4ccccc34)CC2)O1 217776750 KZQODPCCLYBRJT-GOSISDBHSA-N 356.382 1.500 70 50 FDIA O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1nnc2n1CCCCC2 218738934 PJUNYVDHAUWENP-ZDUSSCGKSA-N 357.389 1.679 70 50 FDIA CN1CCCNC(=O)C12CCN(C(=O)CCc1nc3ccccc3[nH]1)CC2 217111057 FJINRQOUEYDMBQ-UHFFFAOYSA-N 369.469 1.308 70 50 FDIA O=C(N[C@H]1CCOC2(CCOCC2)C1)c1ccccc1N1CCOCC1 217679244 HWQJJHMIJQYROI-INIZCTEOSA-N 360.454 1.981 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)C2 217134475 XEOLUCDRKCTXDA-SNVBAGLBSA-N 370.331 1.159 70 50 FDIA Cc1cc(O)cc(=O)n1CCC(=O)Nc1ccc2ncn(C)c(=O)c2c1 218340333 PUHOCBUJEITEEH-UHFFFAOYSA-N 354.366 1.138 70 50 FDIA Nc1nccc(C2CCN(C(=O)COc3ncnc4ccccc34)CC2)n1 217213568 JVDPEFGQTKMTEZ-UHFFFAOYSA-N 364.409 1.787 70 50 FDIA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc2ncccc2c1 218328487 YFMAYKWOMMSCAU-ZDUSSCGKSA-N 368.393 1.364 70 50 FDIA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)COc1cccnc1 218258026 XZUXOJBPTFQAPL-SJORKVTESA-N 361.398 1.556 70 50 FDIA Cc1c(C(=O)N2CCCn3nc([C@@H](C)O)cc3C2)sc2nc[nH]c(=O)c12 216942247 QYKZLTNKJRHDCI-SNVBAGLBSA-N 373.438 1.589 70 50 FDIA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1nc2cccnc2[nH]1 218116159 ZDWXWZIUAJRKAL-UKRRQHHQSA-N 353.382 1.457 70 50 FDIA COc1cccc(N2CCN(c3cc(C4CC(N)C4)nc(N)n3)CC2)c1 218461220 CTFQXTXUTYUFPJ-UHFFFAOYSA-N 354.458 1.599 70 50 FDIA O=S(=O)(F)N1CCC[C@@H](c2nnc3n2C[C@@H](C(F)(F)F)CC3)C1 1875368440 RIXYFPQRLXLTEV-BDAKNGLRSA-N 356.345 1.797 70 50 FDIA CN(C)c1nc(NCc2nc(-c3ccncc3)n[nH]2)cc(C2CC(N)C2)n1 218258275 FUCWJGVOOCGRAF-UHFFFAOYSA-N 365.445 1.540 70 50 FDIA COCCc1noc(CN(C)C(=O)[C@H](c2cccc(F)c2)N(C)C)n1 218757642 ZMNFXOJBWKWEAM-INIZCTEOSA-N 350.394 1.659 70 50 FDIA COc1ccc(OC)c(CC(=O)N2CCN(CC(C)C)[C@H](CCO)C2)c1 218564217 DPCHXBBZYXUBMM-QGZVFWFLSA-N 364.486 1.798 70 50 FDIA O=C(Cn1c(=O)oc2ccccc21)N1CCCO[C@H](Cn2cccn2)C1 216914016 SWAUTPRLLULEDU-AWEZNQCLSA-N 356.382 1.109 70 50 FDIA COc1cc2c(cc1OC)CN(C(=O)Cn1ccc(=O)c(OC)c1C)CC2 218104796 ZTOYHRPKASDHQD-UHFFFAOYSA-N 372.421 1.767 70 50 FDIA biogenic CN(C)CCNc1c(N2CCN(c3ccc(Cl)cc3)CC2)c(=O)c1=O 218219616 HHTPIOSKHQPTED-UHFFFAOYSA-N 362.861 1.236 70 50 FDIA O=C(CN1CCN(c2ccccn2)CC1)N1CC[C@H](Oc2cccnc2)C1 161441094 IYVUNQUCCUJMDR-SFHVURJKSA-N 367.453 1.279 70 50 FDIA O=S(=O)(N[C@H](CO)Cc1c[nH]c2ccccc12)c1c[nH]c2ncccc12 161266892 ONMKUMXPRPLLLY-ZDUSSCGKSA-N 370.434 1.926 70 50 FDIA CCc1nn(C)c(Cl)c1CN1CCCn2nc([C@H](O)CO)cc2C1 217169882 DFKUHDWRMPOHAY-OAHLLOKOSA-N 353.854 1.264 70 50 FDIA Cc1cc(C)nc(NCC(=O)N2CCN(CCc3ccncc3)CC2)n1 218258151 XECZCMHASIYALR-UHFFFAOYSA-N 354.458 1.287 70 50 FDIA CCCN1C(=O)N[C@@H](CC(=O)NCCc2nc3c(C)cccc3[nH]2)C1=O 216967277 YEXRBMHAWWWJCV-ZDUSSCGKSA-N 357.414 1.251 70 50 FDIA CS(=O)(=O)NCCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 160996361 VCLZSIUUCCUWQZ-QWHCGFSZSA-N 352.378 1.362 70 50 FDIA CC(=O)N[C@H]1CN(Cc2ccc(CN(C)S(C)(=O)=O)o2)C[C@@H]1C(C)C 216701772 LDAPDIIWHIPCRO-SJORKVTESA-N 371.503 1.264 70 50 FDIA COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cccn3C)C2=O)cc1 218599679 SVMXTTUDALIQED-INIZCTEOSA-N 370.409 1.555 70 50 FDIA COCc1nc(N2CCC(Cn3cccn3)CC2)cc([C@H]2C[C@H](N)C2)n1 218092870 WFDXRFYZHZWRJN-IYBDPMFKSA-N 356.474 1.941 70 50 FDIA O=S1(=O)CCN(Cc2ccc(OCCCN3CCOCC3)cc2)CC1 217482200 UBGJHPAJTATZCD-UHFFFAOYSA-N 368.499 1.018 70 50 FDIA O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCN(c2nc3ccccc3o2)CC1 217090247 PPKRPGQFLUXPMT-CYBMUJFWSA-N 361.423 1.425 70 50 FDIA CN1CCN(Cc2oc(CN3CCc4ccccc4C3)cc(=O)c2O)CC1 218383120 BTOXYVFRRYNCCC-UHFFFAOYSA-N 369.465 1.651 70 50 FDIA Cn1cc(C(=O)N2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)c(=O)[nH]c1=O 217610338 GEZLRLUHLNFCAP-ZDUSSCGKSA-N 357.345 1.066 70 50 FDIA CN(Cc1cnccn1)C(=O)C1CCN(C(=O)Cc2ccccc2)CC1 217759331 QDHRHHOLSGGUEG-UHFFFAOYSA-N 352.438 1.916 70 50 FDIA OC[C@H](O)c1cc2n(n1)CCN(Cc1ccccc1Cn1cccn1)C2 217150534 IPVRBYJTIMQGMG-IBGZPJMESA-N 353.426 1.169 70 50 FDIA Cc1cccc(N(CC(=O)N[C@H](C)Cc2cccnc2)S(C)(=O)=O)c1 217765350 JUCZOPGUBNWMOP-OAHLLOKOSA-N 361.467 1.903 70 50 FDIA COc1ccccc1N1CC[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 161155644 MEZJVBBHDAAPKO-UONOGXRCSA-N 352.456 1.215 70 50 FDIA CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@@H](Cn3ccnn3)C2)c1CC 160406954 CNSNUULFGRHGCH-CYBMUJFWSA-N 373.461 1.108 70 50 FDIA CC[C@H](NC(=O)Cn1cc(C)c(=O)[nH]c1=O)c1nc2cc(C)ccc2[nH]1 217149036 GVUCKTTVARJEKC-LBPRGKRZSA-N 355.398 1.297 70 50 FDIA Cc1nc(CC(=O)N[C@H]2C[C@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)cs1 218731958 ZPOAKYJFKPOPBU-VNHYZAJKSA-N 373.482 1.417 70 50 FDIA COC(=O)[C@@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)C(C)C 218300358 ARQWAHAAOFGPLJ-KRWDZBQOSA-N 361.373 1.363 70 50 FDIA Cc1cnc2c(Cl)c(C(=O)N3CCCn4nc(CO)cc4C3)nn2c1 217031662 HFRKZDVIFSWSFA-UHFFFAOYSA-N 360.805 1.426 70 50 FDIA O=C(NCCn1cnc2ccccc21)[C@H](Cc1ccccc1)n1cnnn1 218189660 XUQGOPBEXBNUFH-SFHVURJKSA-N 361.409 1.623 70 50 FDIA O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 217549382 JYTRBQWVRDMZHN-HNNXBMFYSA-N 367.409 1.557 70 50 FDIA Cc1cc(C)n2cc(CNC(=O)Cc3nc4nc(C)cc(O)n4n3)nc2c1 217860207 QIDVWBIHLUXXOA-UHFFFAOYSA-N 365.397 1.262 70 50 FDIA NC(=O)C[C@@H](c1ccsc1)c1oc(CN2CCOCC2)cc(=O)c1O 218552756 QNVUNSGMHASSKL-ZDUSSCGKSA-N 364.423 1.246 70 50 FDIA O=C(c1ccc(N2CCCC2=O)cc1)N1CCCn2nc(CO)cc2C1 217555413 OOEMJUIWIKAXSO-UHFFFAOYSA-N 354.410 1.548 70 50 FDIA Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cccc2c1OCCO2 159886438 AIFPFTISIZYUJW-JTQLQIEISA-N 352.412 1.972 70 50 FDIA O=C(CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 161094370 SAODERZDCKYCQH-LSDHHAIUSA-N 358.360 1.672 70 50 FDIA Cn1nnc(-c2cccc(NC(=O)Cn3cnc4ccsc4c3=O)c2)n1 218255494 BKNIDTKNTVIVGK-UHFFFAOYSA-N 367.394 1.287 70 50 FDIA Cc1nc([C@H](C)NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)n[nH]1 217452675 YUVDQBVZRCYKCF-ZDUSSCGKSA-N 355.442 1.772 70 50 FDIA COc1ccc(-c2n[nH]cc2C(=O)N[C@H](CO)CCSC)cc1OC 218340105 QXYTXCJLPHVHBL-LBPRGKRZSA-N 365.455 1.938 70 50 FDIA Cn1c(=O)c2c(SCCn3ccnc3)nc(C(C)(C)C)nc2n(C)c1=O 159698833 PAOLLSUCZOTWLN-UHFFFAOYSA-N 374.470 1.314 70 50 FDIA CC(=O)c1c(C)nn(CC(=O)N2CCCO[C@H](Cn3cccn3)C2)c1C 218124334 KXBJKWLCEFOEOI-INIZCTEOSA-N 359.430 1.217 70 50 FDIA O=C(CN1CCOc2ccccc2C1)N1CCCO[C@@H](Cn2cccn2)C1 216927159 YQLYGFICRJYVNC-GOSISDBHSA-N 370.453 1.395 70 50 FDIA CNc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccn2)ccn1 216703714 FYGHLTLTPMPKFV-WBVHZDCISA-N 365.437 1.782 70 50 FDIA COCCn1c(C)cc(C)c(C(=O)NCc2nc(-c3ccco3)no2)c1=O 218564108 WARIUZVNJZVSAG-UHFFFAOYSA-N 372.381 1.685 70 50 FDIA CCOC(=O)N1CCN(C(=O)c2c(C)cc(C)n(CCOC)c2=O)CC1 218488797 KONRMNXXKKVBFX-UHFFFAOYSA-N 365.430 1.026 70 50 FDIA COc1ccccc1CN1C(=O)O[C@H]2CN(c3ncnc4nc[nH]c34)C[C@H]21 216671413 OWMVJCPTKRSYFZ-OCCSQVGLSA-N 366.381 1.571 70 50 FDIA COc1ccnc(N2CCN(C(=O)CCn3cnc4ccccc43)CC2)n1 217749813 LHFLDGAVVSCTGH-UHFFFAOYSA-N 366.425 1.574 70 50 FDIA CC(C)c1nc(NC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)n[nH]1 218342874 QJCKVTXTANZGLW-ZDUSSCGKSA-N 370.413 1.420 70 50 FDIA COCCCn1c(C)cc(C)c(C(=O)NCc2nnc3ccccn23)c1=O 218395007 XYGPJKJOJPKCLU-UHFFFAOYSA-N 369.425 1.474 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cc(=O)[nH]c3ccc(F)cc13)C2 217929262 YNQVJDNPWYEDIL-SNVBAGLBSA-N 356.357 1.573 70 50 FDIA CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)C1(c2ccccc2)CCC1 160241891 CYXUUNGXMYOEOM-HOCLYGCPSA-N 350.484 1.942 70 50 FDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCN([C@H]2CCOC2)CC1 1875382613 JAEZJCOLCCFIJG-ZDUSSCGKSA-N 373.406 1.218 70 50 FDIA Cc1ncsc1CCCNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 218366646 RHPHUUFWUVWORY-OAHLLOKOSA-N 356.455 1.971 70 50 FDIA Cc1cc(S(=O)(=O)NCC(=O)NCC[C@H]2CCCCO2)ccc1F 217003364 YVNNUNVQHXFVKM-CYBMUJFWSA-N 358.435 1.488 70 50 FDIA COc1ccc2nnc(CCCC(=O)N[C@H](CO)Cc3ccccc3)n2n1 218241884 OBBSWFYBJPMMSW-HNNXBMFYSA-N 369.425 1.175 70 50 FDIA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccccn1)C2 216674580 SWCQPMZXWOEHQL-CABCVRRESA-N 354.410 1.950 70 50 FDIA O=S(=O)(F)c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)cc1 2325885093 JFQLALCTKMFVHR-PHIMTYICSA-N 351.421 1.174 70 50 FDIA CCOCC(=O)N1CCC(C(=O)N[C@@H](CC)c2cn3cccnc3n2)CC1 218747708 ASCOYQXLHIUGLX-HNNXBMFYSA-N 373.457 1.572 70 50 FDIA CCc1c(C)nn(CCNC(=O)[C@@H](C)Sc2nc(C)cc(=O)[nH]2)c1C 218710998 YDIPRHDBLSNCFV-CYBMUJFWSA-N 363.487 1.751 70 50 FDIA O=C(CN1CCOc2ccccc2C1)NCc1nnnn1-c1ccccc1 217802563 KFXKATKWJSYHTJ-UHFFFAOYSA-N 364.409 1.173 70 50 FDIA O=C(N[C@@H]1C=CS(=O)(=O)C1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 217125168 ONDKWTMMIVWEBJ-AUPQCFOMSA-N 362.455 1.001 70 50 FDIA CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 218412911 KRDFPENFDWKNCS-UMVBOHGHSA-N 364.442 1.580 70 50 FDIA CN(C)c1ccc(CC(=O)N2CCC[C@@H](c3nnc(CO)n3C)C2)cc1 217761566 YFKYBBJKHQXNSJ-OAHLLOKOSA-N 357.458 1.322 70 50 FDIA COc1ccccc1N1CCN(C(=O)Cn2cc(OC)c(=O)cc2C)CC1 218190238 LKCHNRTWJPQWKH-UHFFFAOYSA-N 371.437 1.523 70 50 FDIA O=C(Cn1cnc2ccccc2c1=O)NCCc1noc(C(F)(F)F)n1 217653404 AORXGVGWLIKELJ-UHFFFAOYSA-N 367.287 1.157 70 50 FDIA Cc1cccc(N(CC(=O)N[C@@H](C)Cn2cccn2)S(C)(=O)=O)c1 218579415 LINNKZOYDZEWRR-AWEZNQCLSA-N 350.444 1.162 70 50 FDIA Cc1ccccc1OC[C@H](O)C(=O)NCCc1noc(C(F)(F)F)n1 217178511 GVPJKNVBLUAGET-JTQLQIEISA-N 359.304 1.495 70 50 FDIA O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1cc2ncccn2n1 218552806 JKKGFNBHOOLJFV-CVEARBPZSA-N 356.357 1.835 70 50 FDIA Cc1cc(C)n(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccccc3)C2=O)n1 218542028 FYSMRLJKMHPPBZ-INIZCTEOSA-N 369.425 1.521 70 50 FDIA O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)Cn1nnc(-c2ccccc2)n1 160545078 HHRSYOBEMYBAPD-HZPDHXFCSA-N 369.425 1.327 70 50 FDIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(=O)nc3sccn13)C2 217633362 ASMFEEKVVLJTOS-JTQLQIEISA-N 359.411 1.052 70 50 FDIA COc1ccc(Cn2nc(CC(N)=O)nc2[C@@H](C)Cn2cccn2)cc1 217039992 AACLSHXBDBHOOA-ZDUSSCGKSA-N 354.414 1.363 70 50 FDIA CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cc1c(F)cccc1Cl 160313947 PRMRCDRCOLJBSA-YGRLFVJLSA-N 362.854 1.856 70 50 FDIA Cc1ccnn1CCC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 218251318 OJIMMYKDSJPAAW-HUUCEWRRSA-N 350.444 1.529 70 50 FDIA CNS(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)co1 161222935 RFBSFICICWAJJP-GFCCVEGCSA-N 352.416 1.071 70 50 FDIA Cn1cc(C(=O)N2CCCO[C@@H](CN3CCOCC3)C2)c2ccccc21 216976919 YNSPQPVIGLEEFV-INIZCTEOSA-N 357.454 1.742 70 50 FDIA Cc1cc(C(=O)N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)c(C)o1 218632629 FAASMXDXLSNIKN-GOSISDBHSA-N 369.425 1.954 70 50 FDIA Cn1nc2n(c1=O)C[C@@H](C(=O)NCC1(c3ccc(F)cc3)CCCC1)CC2 218296967 CMGYXXGRQGXKRN-AWEZNQCLSA-N 372.444 1.912 70 50 FDIA O=C(CN1CCC[C@@H](O)C1)NCCCc1nc2cc(Cl)ccc2[nH]1 218699647 NWWVUFREQUZZQV-CYBMUJFWSA-N 350.850 1.722 70 50 FDIA Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 159905382 RFJVNIFVONSFTA-QMMMGPOBSA-N 350.400 1.371 70 50 FDIA COCCN1C(=O)[C@@H]2CC[C@H]1CN(c1ncc(F)c(N3CCCC3)n1)C2 216843366 NVHSDKLMIGWVKZ-KGLIPLIRSA-N 363.437 1.290 70 50 FDIA O=C(CCOc1ccccc1)N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1 218150994 OECYKDOJCQQBOP-HDJSIYSDSA-N 356.426 1.937 70 50 FDIA C[C@@]1(c2ccccc2)CC(=O)N(CCC(=O)NCCc2ccccn2)C1=O 218292774 JIFHZUKMMMRTPQ-NRFANRHFSA-N 365.433 1.847 70 50 FDIA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)CN1CCc3ccccc3C1)C2 217142303 LXVUCHTWNWBDSQ-LJQANCHMSA-N 354.454 1.727 70 50 FDIA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1ccn2cnnc2c1 218656653 LOBQLQWVKODCOU-KGLIPLIRSA-N 359.411 1.290 70 50 FDIA O=C(N[C@H]1COC[C@@H]1O)c1ccccc1S(=O)(=O)Cc1ccccc1 218043698 KEWJLOODMRLKIH-HOTGVXAUSA-N 361.419 1.150 70 50 FDIA O=C(c1ccc(N2CCCC2)cc1)N1CCn2nc([C@H](O)CO)cc2C1 217536480 WNIXJWQTOAGWOT-GOSISDBHSA-N 356.426 1.165 70 50 FDIA Cn1ccnc1CN1CCN(C(=O)c2ccccc2OC(F)F)CC1 217607786 GERQKCRJRRQFIR-UHFFFAOYSA-N 350.369 1.980 70 50 FDIA O=C(CCc1c[nH]c2ccccc12)N1CCn2nc([C@@H](O)CO)cc2C1 216911814 SFRWAJRIYRLARI-SFHVURJKSA-N 354.410 1.365 70 50 FDIA O=C(Cn1c(=O)oc2ccccc21)NCCc1noc([C@@H]2CCCO2)n1 216911598 ARXMKKVEXWNKSI-ZDUSSCGKSA-N 358.354 1.188 70 50 FDIA Cc1nc([C@@H]2CCCN(C(=O)Cn3cnc4ccccc4c3=O)C2)no1 217397803 KCDGTUFXZCLXCK-CYBMUJFWSA-N 353.382 1.494 70 50 FDIA COCCCn1c(C)cc(C)c(C(=O)NCCn2nc(C)cc2C)c1=O 218469734 JAXNXOWWFSNURM-UHFFFAOYSA-N 360.458 1.745 70 50 FDIA COCc1nn2c(=O)cc(CSCC(=O)N3CCCC3)nc2s1 218536655 GCSDNPRRFHMEBI-UHFFFAOYSA-N 354.457 1.153 70 50 FDIA CN1CCN(Cc2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)[C@@H]4N(C)C)cc2)CC1 218705641 HXRJFWNPNKGEIJ-AERCQKQUSA-N 370.541 1.846 70 50 FDIA N[C@@H]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 160226614 FHQKNAQJHNQSHV-DGCLKSJQSA-N 352.232 1.362 70 50 FDIA COC(=O)[C@H]1[C@@H]2C(=O)N(Cc3c(F)cccc3Cl)C[C@@]23C=C[C@H]1O3 217653201 IXXNRJWKESXNRA-WBOJAVRRSA-N 351.761 1.934 70 50 FDIA O=C(CC1=CSC2=NCCCN12)N1CCCO[C@@H](Cn2cccn2)C1 216986212 UBYHCDVLKCECND-OAHLLOKOSA-N 361.471 1.541 70 50 FDIA CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1nc(N)nc3c1CCCC3)C2 217456551 QFZOJFRMRSABDU-HNNXBMFYSA-N 356.430 1.234 70 50 FDIA Cn1cc(CC(=O)N2CCN(c3ncc[nH]c3=O)CC2)c2ccccc21 217809326 FSVGGAINIGXCJW-UHFFFAOYSA-N 351.410 1.153 70 50 FDIA CC(C)c1nnc(N2CCn3nc([C@@H](O)c4nccn4C)cc3C2)s1 218084813 KJQDWBUNBMESOL-CYBMUJFWSA-N 359.459 1.693 70 50 FDIA COc1ccc([C@@H](O)C(=O)N2CCC(CO)(CN3CCCC3)CC2)cc1 218004277 QYYZDAINMQMYBN-GOSISDBHSA-N 362.470 1.426 70 50 FDIA Cc1cc(=O)c(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(CO)cc2)c[nH]1 218743054 DECLXMUKAYTNRC-SJLPKXTDSA-N 358.394 1.142 70 50 FDIA CS(=O)(=O)NCCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 160996226 VCLZSIUUCCUWQZ-CHWSQXEVSA-N 352.378 1.362 70 50 FDIA Cc1cc(C(=O)N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)c(C)o1 218632713 FAASMXDXLSNIKN-SFHVURJKSA-N 369.425 1.954 70 50 FDIA O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1cc2sccc2[nH]1 217785921 NRRLRNXDAKRMOE-UHFFFAOYSA-N 362.455 1.876 70 50 FDIA Cc1noc(C)c1S(=O)(=O)N[C@@H](Cc1ccncc1)C1CC(O)C1 217997385 ZJUPUMXJOOQTQX-NRXISQOPSA-N 351.428 1.347 70 50 FDIA CSCC[C@@H](N)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 159748128 VGOLFEWSOXRZOY-TZMCWYRMSA-N 355.891 1.984 70 50 FDIA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCCO3)CC2)cc1 159718235 VPTDLFXVPRKABJ-INIZCTEOSA-N 352.456 1.397 70 50 FDIA Cn1cc([C@@H](NC(=O)CCc2cn3ccccc3n2)[C@H]2C[C@H](O)C2)cn1 218761349 OXEPQKCTOGKFKQ-CRFBAAHOSA-N 353.426 1.629 70 50 FDIA O=[N+]([O-])c1cncc(Br)c1OS(=O)(=O)C(F)(F)F 100002236 LCRZMDZBTAZZGE-UHFFFAOYSA-N 351.056 1.981 70 50 FDIA in-vitro CCc1n[nH]c(SCC(=O)N[C@@H]2CCOC[C@H]2OCC=C(C)C)n1 218503148 XDSDTQLDMNUHFE-CHWSQXEVSA-N 354.476 1.716 70 50 FDIA C[C@H](O)c1cc2n(n1)CCN(c1cc(C(=O)N3CCCCC3)ccn1)C2 217095383 WHWQBIJOADNHKF-AWEZNQCLSA-N 355.442 1.978 70 50 FDIA Cc1nc([C@@H](C)NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)n[nH]1 217452593 YUVDQBVZRCYKCF-CYBMUJFWSA-N 355.442 1.772 70 50 FDIA O=C(c1cccc2c1OCCO2)N1CCn2nc([C@H](O)C3CC3)cc2C1 218113336 KGTSIBYCSYTSDA-QGZVFWFLSA-N 355.394 1.754 70 50 FDIA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cc2cn3ccsc3n2)cn1 218055639 FZROUBQPQGMLHW-CVEARBPZSA-N 372.450 1.994 70 50 FDIA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)CSc1nnc(N)s1 217668562 SCOVUEDHYCCWKW-CYBMUJFWSA-N 363.512 1.728 70 50 FDIA CC(C)C[C@H](NC(=O)CCc1nnc(O)[nH]c1=O)c1nc2ccccc2[nH]1 218521563 BEAZEPDYBSSQEK-AWEZNQCLSA-N 370.413 1.583 70 50 FDIA C[C@@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)c1nc2ccccc2[nH]1 161127640 FFIIWHKLNDLVRL-SNVBAGLBSA-N 362.411 1.897 70 50 FDIA Cc1nc2ncccn2c1C(=O)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 218598277 NMBONOVMTZIFHM-BZUAXINKSA-N 351.410 1.545 70 50 FDIA O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCc1ccncc1 218389767 JYEXJXIXQHMGMV-HNNXBMFYSA-N 372.812 1.862 70 50 FDIA CC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3ccnc4nncn34)CC2)c1C 217197233 HPTYLFOMKJEBHF-UHFFFAOYSA-N 367.413 1.234 70 50 FDIA O=C(CNS(=O)(=O)c1cccs1)NCc1cnc2ccccc2c1 218633386 DIBPCHMRDSNQOY-UHFFFAOYSA-N 361.448 1.891 70 50 FDIA CC(C)C[C@H](NC(=O)CNC(=O)c1cnccn1)c1nc2ccccc2[nH]1 218328311 AOFLWTQHGFTCIU-HNNXBMFYSA-N 366.425 1.986 70 50 FDIA CCOc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)Cl 245197904 GXKHHMQWWWKFNK-QMMMGPOBSA-N 367.832 1.325 70 50 FDIA COc1ccc([C@H](NC(=O)CCc2n[nH]c(C)c2C)[C@H]2C[C@@H](O)C2)cn1 218491823 BNTFDRVHFATSIB-DOXZYTNZSA-N 358.442 1.991 70 50 FDIA NS(=O)(=O)c1ccsc1C(=O)N1CCC(c2ccncc2)CC1 217091253 RHHZRLXFNFRZJE-UHFFFAOYSA-N 351.453 1.810 70 50 FDIA CNC[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 161374830 NTKIWOFTRNGAKI-LLVKDONJSA-N 350.362 1.804 70 50 FDIA O=C(Cc1cn2ccsc2n1)N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 218552529 MWAXCEPCQMZZEF-UHOFOFEASA-N 356.451 1.832 70 50 FDIA O=C(c1ccccc1N1CCOCC1)N1CCCO[C@@H](Cn2cccn2)C1 217346941 ZUGPAAFBBGJTQR-QGZVFWFLSA-N 370.453 1.651 70 50 FDIA CC(=O)c1ccccc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC(=O)N(C)C 216945289 ZFZDCYYDMOIFGE-CABCVRRESA-N 371.437 1.040 70 50 FDIA CSCC[C@@H](N)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 159748246 VGOLFEWSOXRZOY-OCCSQVGLSA-N 355.891 1.984 70 50 FDIA CC[C@@H](Sc1nc2ccccc2o1)C(=O)NCCc1noc(CO)n1 218462229 AZAFQNHNBITFPN-GFCCVEGCSA-N 362.411 1.933 70 50 FDIA CC(C)Cc1cc(C(=O)N(C)Cc2nc(-c3ccncc3)no2)nc(N)n1 216944309 SJBXVVGSRTXWAL-UHFFFAOYSA-N 367.413 1.975 70 50 FDIA CC(=O)c1[nH]c(C)c(C(=O)N2CCC(c3nnc(CO)n3C)CC2)c1C 216917725 ZMTNWAKBQUAQKS-UHFFFAOYSA-N 359.430 1.475 70 50 FDIA O=C(CCN1CCn2nc([C@H](O)C3CC3)cc2C1)NCc1cccs1 218427410 JJHFFBUGGQJBFD-GOSISDBHSA-N 360.483 1.910 70 50 FDIA O=C(c1ccc(N2CCCC2)cc1)N1CCN(c2ncc[nH]c2=O)CC1 217932424 UGOJQWCWODQJDH-UHFFFAOYSA-N 353.426 1.333 70 50 FDIA O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1cc(=O)n(-c2ccccc2)[nH]1 218026994 UJZXJNFAPYHWEB-CQSZACIVSA-N 364.409 1.354 70 50 FDIA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCCO3)CC2)cc1 159718362 VPTDLFXVPRKABJ-MRXNPFEDSA-N 352.456 1.397 70 50 FDIA Cc1[nH]c2c(C(=O)N3CCn4nc([C@H](O)CO)cc4C3)cccc2c1C 217432521 NZAWOQQEXXCLAR-QGZVFWFLSA-N 354.410 1.663 70 50 FDIA CCc1nc(C)ccc1OCC(=O)N1CCN(Cc2nccn2C)CC1 217779313 IVPPZWHMSSIXBI-UHFFFAOYSA-N 357.458 1.409 70 50 FDIA CCc1ccc(C(=O)N[C@H]2C[C@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)[nH]1 218352383 QUWOTNXZJYLONE-VHDGCEQUSA-N 355.442 1.614 70 50 FDIA C[C@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)C[C@@H](C)S1(=O)=O 1875387382 FPHPNPYHKZDCAB-PHIMTYICSA-N 351.421 1.287 70 50 FDIA O=C1[C@H](N2CCN(S(=O)(=O)F)CC2)CCCN1Cc1ccccc1 1875368305 IADJJWAMLKGZON-OAHLLOKOSA-N 355.435 1.010 70 50 FDIA Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)c2cnc3cccnn23)cn1 218024112 FYSCTAXBXAKXMU-ZBFHGGJFSA-N 353.382 1.399 70 50 FDIA CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)on1 218565974 JJBNUDSRTPDQIF-RHSMWYFYSA-N 373.409 1.863 70 50 FDIA CC(C)[C@H](NC(=O)CCc1nnc(O)[nH]c1=O)c1nc2ccccc2[nH]1 218614096 HOVFSMSUBDNHQQ-AWEZNQCLSA-N 356.386 1.193 70 50 FDIA COCCN1CC[C@@H](CN(C)C(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)C1 217174760 ZSGRTPZZRJSEML-ZDUSSCGKSA-N 350.463 1.108 70 50 FDIA C[C@H](O)c1cc2n(n1)CCN(CCC(=O)Nc1nnc(C3CC3)s1)C2 217915584 JEXRURSFMXWZQB-JTQLQIEISA-N 362.459 1.510 70 50 FDIA Cc1cccc2[nH]c(COCC(=O)N3CCN(c4cnccn4)CC3)nc12 217005179 KIKKOMRCVFPPFH-UHFFFAOYSA-N 366.425 1.527 70 50 FDIA CCCn1ncc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)c1C 216708076 VTYNAZQOJMDSQL-WBVHZDCISA-N 361.490 1.113 70 50 FDIA CCS(=O)(=O)Nc1ccc(C(=O)N2CCC3(CC2)CNC(=O)O3)cc1 218438942 PSLHRNFEDGXAFZ-UHFFFAOYSA-N 367.427 1.163 70 50 FDIA COCCn1c(C)cc(C)c(C(=O)Nc2ccc3nc[nH]c(=O)c3c2)c1=O 218490437 DLXLTHYGMBKJLA-UHFFFAOYSA-N 368.393 1.600 70 50 FDIA O=C(COc1ncnc2ccccc12)N1CCCO[C@H](Cn2cccn2)C1 217505896 SBPDTOINWILLFA-HNNXBMFYSA-N 367.409 1.523 70 50 FDIA Cc1[nH]c2c3ccccc3nn2c(=O)c1CCC(=O)Nc1cnn(C)c1 218479174 QAOQBPVCLGVWMY-UHFFFAOYSA-N 350.382 1.789 70 50 FDIA Cc1cc([C@@H]2CCCCN2C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)no1 218265093 SMAHTADSFPXDOP-HNNXBMFYSA-N 354.366 1.880 70 50 FDIA O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1CCCN2CCCC[C@H]12 217632750 ICTWSXFMLFGJKR-WMLDXEAASA-N 370.453 1.071 70 50 FDIA biogenic COCCN1CC[C@H](CN(C)C(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)C1 217174772 ZSGRTPZZRJSEML-CYBMUJFWSA-N 350.463 1.108 70 50 FDIA COCCN(CCN(C)C)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382662 LEMNFMCGAAXVLD-UHFFFAOYSA-N 363.411 1.322 70 50 FDIA Cc1ccc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2)o1 218042344 PRTGTJNEHNXLIR-GOSISDBHSA-N 373.428 1.777 70 50 FDIA Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)C2(Cn3ccnc3)CC2)cn1 218049917 KXSCXIGMNYSDGU-SJORKVTESA-N 356.426 1.719 70 50 FDIA Cc1ccc(S[C@H](C)C(=O)N2CCN(c3ncc[nH]c3=O)CC2)cc1 217440234 RVHZTBXDBGLAQZ-CQSZACIVSA-N 358.467 1.908 70 50 FDIA Cc1nc(N2CCCCC2)ncc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N(C)C 218454563 VLAAAWHBOIMYJI-XLNGHYISSA-N 359.474 1.223 70 50 FDIA Cc1nc(O)nc(C)c1CCC(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1 218736318 WTBOVSADYICJNZ-QXCFHYIPSA-N 374.485 1.490 70 50 FDIA Cc1ncc(C(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)c(=O)[nH]1 218678540 NKMJMKQJTPLIFX-CYBMUJFWSA-N 366.381 1.543 70 50 FDIA CCc1c(C)nn(CCNC(=O)[C@H](C)Sc2nc(C)cc(=O)[nH]2)c1C 218711083 YDIPRHDBLSNCFV-ZDUSSCGKSA-N 363.487 1.751 70 50 FDIA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CCCc1cn[nH]c1 217997276 LKGVZNFDGHOVFU-SJORKVTESA-N 362.430 1.828 70 50 FDIA Cn1cc([C@H](NC(=O)CCn2c(=O)[nH]c3ccccc32)C2CC(O)C2)cn1 218662356 ZNLIATVOULZTRK-OOKWDQIISA-N 369.425 1.082 70 50 FDIA CCOC(=O)N1CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 218567253 OVPWZEWIMVVQKC-UHFFFAOYSA-N 359.382 1.531 70 50 FDIA O=C(CCc1ccc(-n2cnnc2)cc1)N[C@H](CO)Cc1ccccc1 218267226 TUPQGXDXDKIOQA-SFHVURJKSA-N 350.422 1.920 70 50 FDIA Cc1nc([C@H]2CCCN(C(=O)Cn3cnc4ccccc4c3=O)C2)no1 217397872 KCDGTUFXZCLXCK-ZDUSSCGKSA-N 353.382 1.494 70 50 FDIA C[C@@H](NS(C)(=O)=O)C(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 218061371 WRGDHDAMKBDOAY-SECBINFHSA-N 358.851 1.203 70 50 FDIA C[C@H](O)c1cc2n(n1)CCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)C2 217134485 XEOLUCDRKCTXDA-JTQLQIEISA-N 370.331 1.159 70 50 FDIA O=C(c1ccc2ncsc2c1)N1CCCn2nc([C@H](O)CO)cc2C1 217152365 WTHSNBLPUOVAHU-OAHLLOKOSA-N 358.423 1.565 70 50 FDIA CCOC(=O)[C@H]1O[C@@]2(O)C[C@@](C(F)(F)F)(Oc3nc(C)cc(C)c32)O1 217675249 FDYRPJNNMAEJQW-MELADBBJSA-N 363.288 1.821 70 50 FDIA O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1cnc(C2CC2)[nH]c1=O 218751699 VDKLQOWSGJXUJD-ZIAGYGMSSA-N 356.382 1.009 70 50 FDIA O=C(c1cc(-n2cnnn2)ccc1O)N1CC[C@](O)(c2ccccc2)C1 218191137 GFJAOOFGQJMTBL-GOSISDBHSA-N 351.366 1.102 70 50 FDIA Cc1cc(C)nc(NCC(=O)N2CCN(CCc3ccccn3)CC2)n1 218499727 FEQLCYUKILANBF-UHFFFAOYSA-N 354.458 1.287 70 50 FDIA O=C(Cc1cn2ccsc2n1)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 218552446 MWAXCEPCQMZZEF-MAZHCROVSA-N 356.451 1.832 70 50 FDIA CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCc1cccnc1)C2 218350228 ZTEOJFWUZJPEFI-SFHVURJKSA-N 357.458 1.238 70 50 FDIA O=C(NCc1cc2ccccc2[nH]1)[C@@H]1Cc2ccccc2S(=O)(=O)N1 217746600 SPKAVQKSESKXSU-INIZCTEOSA-N 355.419 1.687 70 50 FDIA O=C(NC[C@H]1CCCS1(=O)=O)N1CCCN(c2ccccc2)CC1 160025722 ULFZSPUFGDMLLD-MRXNPFEDSA-N 351.472 1.486 70 50 FDIA O=S(=O)(F)N1CCC[C@@H](c2nnc3n2C[C@H](C(F)(F)F)CC3)C1 1875368443 RIXYFPQRLXLTEV-RKDXNWHRSA-N 356.345 1.797 70 50 FDIA COc1cccc(CC(=O)N[C@H]2C[C@H](c3nnc(CO)n3C3CC3)C2)c1 218056208 JZHAJKBFAUZOCO-OKILXGFUSA-N 356.426 1.719 70 50 FDIA O=S(=O)(F)c1cc(S(=O)(=O)F)c(Cl)c(S(=O)(=O)F)c1 263619751 UYMFURWEPDZMAX-UHFFFAOYSA-N 358.724 1.315 70 50 FDIA Cc1ncc(C(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)c(=O)[nH]1 218678618 NKMJMKQJTPLIFX-ZDUSSCGKSA-N 366.381 1.543 70 50 FDIA O=C(CN1CCN(c2ccccn2)CC1)N1CC[C@@H](Oc2cccnc2)C1 161441206 IYVUNQUCCUJMDR-GOSISDBHSA-N 367.453 1.279 70 50 FDIA OC[C@@H](O)c1cc2n(n1)CCCN(C1CCN(c3ccccc3)CC1)C2 217903955 MACZUPBVLLDINY-HXUWFJFHSA-N 356.470 1.784 70 50 FDIA CN(C)c1nsc(N[C@@H]2COCC[C@H]2Oc2ccc(CO)cc2)n1 218232303 GBRXYPMTPZINGW-ZIAGYGMSSA-N 350.444 1.745 70 50 FDIA O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1ccc(O)cc1 217819916 PAEGVZHLBGMESG-KRWDZBQOSA-N 367.405 1.562 70 50 FDIA biogenic Cc1cccc(N(CC(=O)NCCc2scnc2C)S(C)(=O)=O)c1 216932267 BIJSPRDEUNRLQH-UHFFFAOYSA-N 367.496 1.885 70 50 FDIA Cc1cnccc1N1CCCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 218419022 BGSWDZZFEHHHQO-UHFFFAOYSA-N 353.474 1.684 70 50 FDIA CS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 160118612 VWNSZFGHZDFUAQ-AWEZNQCLSA-N 360.439 1.886 70 50 FDIA O=C(CSc1ncccn1)N1CCCO[C@@H](CN2CCCCC2)C1 217891594 GEXCUBCTSGUDRG-HNNXBMFYSA-N 350.488 1.672 70 50 FDIA O=S(=O)(N[C@@H]1COCC[C@@H]1OCc1cscn1)N1CCCCC1 218564990 ZYUSLHFVEUYGEF-KGLIPLIRSA-N 361.489 1.138 70 50 FDIA Cn1cc(C(=O)N2CCC(c3nc4cc(F)ccc4[nH]3)CC2)c(=O)[nH]c1=O 217117145 RTBBWTAMUWRZLU-UHFFFAOYSA-N 371.372 1.109 70 50 FDIA CC(=O)c1c(C)nn(CC(=O)N2CCCO[C@@H](Cn3cccn3)C2)c1C 218124250 KXBJKWLCEFOEOI-MRXNPFEDSA-N 359.430 1.217 70 50 FDIA O=C(CN1CCC(c2ccccc2)CC1)N[C@@H]1COCC[C@@H]1OCCO 218757378 DJZWUIRJAMJVRR-MOPGFXCFSA-N 362.470 1.149 70 50 FDIA CCn1nccc1C(=O)N1CCc2[nH]c(-c3ccc(C(N)=O)cc3)nc2C1 218680054 WIVIFECWNONJFH-UHFFFAOYSA-N 364.409 1.591 70 50 FDIA CC(C)(C)c1cc(C(=O)N2CCCN(Cc3cccnc3)CC2)[nH]c(=O)n1 217002237 UPIBKBWWQSCOLX-UHFFFAOYSA-N 369.469 1.811 70 50 FDIA CCNC(=O)N1CCC(NC(=O)Cn2c(C)cc(=O)c3ccccc32)CC1 218412736 ZAQLGNJLKGDYFC-UHFFFAOYSA-N 370.453 1.620 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCCN(c1ncc(F)c(N3CCOCC3)n1)C2 217488241 LGGKSPJWNYVEMQ-GFCCVEGCSA-N 362.409 1.112 70 50 FDIA COC(=O)[C@H](Cc1ccccc1)NC(=O)c1sc2nc[nH]c(=O)c2c1C 218139637 DPHYYUPRBGIFJQ-LBPRGKRZSA-N 371.418 1.807 70 50 FDIA Cc1nc(O)nc(C)c1CCC(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 218121130 KQNHIWBTKYFDMK-JDFRZJQESA-N 359.430 1.094 70 50 FDIA Cc1cc(C)n(CCNC(=O)c2c(C)cc(C)n(C[C@H]3CCCO3)c2=O)n1 218534861 SSXRSZPVQCXOFZ-QGZVFWFLSA-N 372.469 1.887 70 50 FDIA CC(=O)N[C@H]1C[C@H](c2cc(N3CCC(Cn4cccn4)CC3)ncn2)C1 218504254 LTGZZJBFLIKDDO-CALCHBBNSA-N 354.458 1.972 70 50 FDIA O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1cccc(-c2nc[nH]n2)c1 218353513 BRFSRERUHJDYFA-UHFFFAOYSA-N 353.382 1.730 70 50 FDIA CCC[C@@H](NC(C)=O)C(=O)N1CCc2[nH]c(-c3ccc(OC)nc3)nc2C1 218627235 ZETWLIIZGHQRLJ-OAHLLOKOSA-N 371.441 1.670 70 50 FDIA CCc1nccn1CCCNC(=O)C1CCN(C(=O)[C@H]2CCCO2)CC1 218440415 IXNTXRYONPDBPB-MRXNPFEDSA-N 362.474 1.369 70 50 FDIA Nc1nnc(SCC(=O)NC2CCN(Cc3ccncc3)CC2)s1 217746464 UREXDFLACOEMPU-UHFFFAOYSA-N 364.500 1.388 70 50 FDIA Nc1nnc(SCC(=O)NCCc2nc(-c3cccnc3)no2)s1 217198843 IUWHCJIIDDBGGC-UHFFFAOYSA-N 363.428 1.016 70 50 FDIA COCc1noc(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)n1 218595183 QEKXFGGHBOMUTF-LLVKDONJSA-N 362.361 1.067 70 50 FDIA CN1CCN(C2(CNc3cc(C4CC(N)C4)nc(N)n3)CCCC2)CC1 218564596 XHXQJABRMQEXHY-UHFFFAOYSA-N 359.522 1.236 70 50 FDIA Cc1cccc(N(CC(=O)N[C@H](C)Cn2cccn2)S(C)(=O)=O)c1 218579489 LINNKZOYDZEWRR-CQSZACIVSA-N 350.444 1.162 70 50 FDIA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC[C@@]2(CNC(=O)O2)C1 218173179 HJRZLZVGDBMTKV-LJQANCHMSA-N 355.394 1.411 70 50 FDIA O=C(COc1cccc(-n2cnnn2)c1)N1CCC[C@@H](Cn2ccnc2)C1 218013109 CIWMXIQGZYEFIC-HNNXBMFYSA-N 367.413 1.176 70 50 FDIA O=C(c1cc(O)no1)N1CCCn2nc([C@@H](O)c3ccccc3)cc2C1 217007172 GALSQHFNYJFZJA-KRWDZBQOSA-N 354.366 1.705 70 50 FDIA Cc1nnc(CCNC(=O)C2CCN(C(=O)C3CCCC3)CC2)s1 218570614 WKJVVYZKUDFCHX-UHFFFAOYSA-N 350.488 1.934 70 50 FDIA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)C1 161253267 XDFKKCALCOYRPO-FMKPAKJESA-N 365.499 1.884 70 50 FDIA O=C(c1cc(-n2cccn2)ccc1Cl)N1CCn2nc(CO)cc2C1 218510366 NINGDQNNNMYEQZ-UHFFFAOYSA-N 357.801 1.871 70 50 FDIA O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCN(c2nc3ccccc3o2)CC1 217090225 PPKRPGQFLUXPMT-ZDUSSCGKSA-N 361.423 1.425 70 50 FDIA O=C(CC1(n2cccc2)CCOCC1)Nc1ccc(-n2cnnn2)cc1 218168204 PFMQZBYGTPMICR-UHFFFAOYSA-N 352.398 1.998 70 50 FDIA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cc(F)c(F)c(F)c1 218302640 IMJINAGXVCFQOY-QMMMGPOBSA-N 371.315 1.233 70 50 FDIA CCN1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O 218305215 WOGNCANLXZISHA-IRXDYDNUSA-N 372.469 1.140 70 50 FDIA CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCc1ccccn1 218385788 PDHFEFVXKMLIDU-UHFFFAOYSA-N 358.423 1.724 70 50 FDIA COc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1 218161120 PASHSSPQTDIYGO-UHFFFAOYSA-N 369.421 1.971 70 50 FDIA COC(=O)[C@H](C)NC(=O)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 218380476 PCGAHJDQIKXVTM-JTQLQIEISA-N 364.785 1.899 70 50 FDIA Cn1nccc1CCC(=O)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1 218581710 CWCXSLOZKQJALG-QZTJIDSGSA-N 359.426 1.198 70 50 FDIA Cc1cccc(N(CC(=O)N[C@@H](C)c2cnn(C)c2)S(C)(=O)=O)c1 217193825 NEEQJGLKFCZRMJ-ZDUSSCGKSA-N 350.444 1.372 70 50 FDIA O=C(Cc1cc(=O)[nH][nH]c1=O)N1CCC(c2nc3cc(F)ccc3[nH]2)CC1 216913650 WCJYRBLDGSSYJT-UHFFFAOYSA-N 371.372 1.027 70 50 FDIA O=C1C=C(Br)C(=O)N1c1ccc(S(=O)(=O)Cl)cc1 1857533498 GJWFYNCLBFWYEG-UHFFFAOYSA-N 350.577 1.766 70 50 FDIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OCc2nccn2C)cc1 218324279 YXTUBWFPQROJTI-AWEZNQCLSA-N 355.398 1.331 70 50 FDIA CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1cccc(F)c1F)C2 218535790 WYGPNFNZRZWWBX-OAHLLOKOSA-N 371.409 1.255 70 50 FDIA CCc1nccn1CCCNC(=O)C1CCN(C(=O)[C@@H]2CCCO2)CC1 218440342 IXNTXRYONPDBPB-INIZCTEOSA-N 362.474 1.369 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(=O)nc3sccn13)C2 217633273 ASMFEEKVVLJTOS-SNVBAGLBSA-N 359.411 1.052 70 50 FDIA O=C(COc1ccc(-n2cnnn2)cc1)NC[C@@H]1OCCc2ccccc21 217546318 WIBLHHHUCBMPOY-SFHVURJKSA-N 365.393 1.471 70 50 FDIA COc1ccc2occ([C@@H](CC(N)=O)c3oc(C)cc(=O)c3O)c(=O)c2c1 217791704 JJWHEOHATZZMBZ-LLVKDONJSA-N 371.345 1.776 70 50 FDIA biogenic CCc1nc(C)ccc1OCC(=O)NCc1nnnn1-c1ccccc1 217962484 YKPRAWJNUZIEOT-UHFFFAOYSA-N 352.398 1.623 70 50 FDIA CN1CCC(C(=O)N2CCC3(CCC(=O)N3)CC2)(c2ccccc2)CC1 217405577 XRWSCUBGXIBLMZ-UHFFFAOYSA-N 355.482 1.921 70 50 FDIA COc1cc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc2c1OCCO2 217837750 CNLKOZAQIVYPEN-LLVKDONJSA-N 361.350 1.441 70 50 FDIA biogenic O=C(CCc1nnc(O)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 218595636 URKBXAIZFUBRNP-ZDUSSCGKSA-N 354.370 1.043 70 50 FDIA O=C(c1cnn(Cc2ccccc2)c1)N1CCCn2nc(CO)cc2C1 216915067 NGYDILWLQVLBHW-UHFFFAOYSA-N 351.410 1.666 70 50 FDIA CCN(Cc1noc(C2CCC2)n1)C(=O)[C@@H]1CCCN1S(C)(=O)=O 218171433 NMTRBXBQNXNSSM-LBPRGKRZSA-N 356.448 1.110 70 50 FDIA Cc1cccc(CCN2CCn3nc([C@H](O)c4nccn4C)cc3C2)n1 218454461 WHQVLKUUUGHEON-SFHVURJKSA-N 352.442 1.460 70 50 FDIA Cn1c(CO)nnc1C1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 217620560 YCZISRNXCDRFOE-UHFFFAOYSA-N 368.441 1.523 70 50 FDIA Cc1cc(C)nc(NCC(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)n1 218431411 VCWBMQMFOAGJID-UHFFFAOYSA-N 355.377 1.992 70 50 FDIA O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@H]1C[C@@H]2OCC[C@H]12 218675776 SUSMLCRFCLKXAA-MIMYLULJSA-N 350.724 1.814 70 50 FDIA CCOc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cn1 460089971 HCEMCFRZJFJDNT-UHFFFAOYSA-N 360.388 1.939 70 50 FDIA Cn1cc([C@H](Nc2cncc(C(=O)N3CCCC3)n2)[C@H]2C[C@@H](O)C2)cn1 218034572 ZHQMTELCGNWWSZ-SUYBPPKGSA-N 356.430 1.370 70 50 FDIA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2cn3cccnc3n2)cn1 218537181 CPFGFBZEPJTQOU-ZBFHGGJFSA-N 353.382 1.399 70 50 FDIA Cn1cc([C@H](NC(=O)CCc2nc3ccccc3[nH]2)C2CC(O)C2)cn1 218148784 JRZYFCALFGGRIA-JWIMFUQQSA-N 353.426 1.857 70 50 FDIA CN(Cc1cnccn1)C(=O)CCCn1nnc(-c2ccc(F)cc2)n1 217039461 HFYFDNUVUJWANV-UHFFFAOYSA-N 355.377 1.708 70 50 FDIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cnc2ccccn2c1=O 218012993 FSSBBOOHQUCKLE-CVEARBPZSA-N 357.410 1.565 70 50 FDIA COc1ccc(/C=C/CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)cc1 216813821 XQMXWLLJAAZZSO-ZLKFPQNLSA-N 371.481 1.719 70 50 FDIA CCn1nc(C)c(-c2cc(C(=O)N[C@H](CO)CCSC)n[nH]2)c1C 218308118 RBPIPPZSIHIICN-LBPRGKRZSA-N 351.476 1.754 70 50 FDIA O=C(CN1CCOc2ccccc2C1)N[C@@H]1CCCN(c2cnccn2)C1 217690932 JMPDNYJIQCAVOB-QGZVFWFLSA-N 367.453 1.456 70 50 FDIA O=C(CCc1nc(Cl)n[nH]1)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 218382505 HLOKJLXZFSYTII-CHWSQXEVSA-N 368.796 1.883 70 50 FDIA O=C(NCCc1nc(Cc2ccccc2)no1)c1cc2c([nH]c1=O)CCC2 218241504 KQBFPTAYOOBAGJ-UHFFFAOYSA-N 364.405 1.810 70 50 FDIA Nc1ccsc1C(=O)N[C@H]1C[C@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1 218030837 DRZWHXQHIORFSF-GRYCIOLGSA-N 359.455 1.367 70 50 FDIA COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)cc1O 218142951 SGRPABSSFVRCDX-CZUORRHYSA-N 364.423 1.961 70 50 FDIA Cc1n[nH]c(C)c1[C@H](N)C(=O)NCc1nncn1CCc1ccccc1 218555549 FHSQYJZZBYMQHG-KRWDZBQOSA-N 353.430 1.177 70 50 FDIA CSCC[C@H](N)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 159745444 VGOLFEWSOXRZOY-GXTWGEPZSA-N 355.891 1.984 70 50 FDIA O=C(COc1cccc(C(=O)N2CCN3CCC[C@@H]3C2)c1)N1CCCCC1 217026045 VYOPEWBLMUVZLL-GOSISDBHSA-N 371.481 1.998 70 50 FDIA C[C@@H](Cc1cccnc1)NC(=O)c1ccccc1N1CCS(=O)(=O)CC1 218528511 DNBLKQOVBCBWFS-HNNXBMFYSA-N 373.478 1.677 70 50 FDIA COc1ccc(C(=O)CNC(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1 218286066 JBCQMNKIQNBWKP-KRWDZBQOSA-N 354.362 1.784 70 50 FDIA CC(C)Cn1cnc(S(=O)(=O)NC(=O)c2noc3c2CCCCC3)c1 159655388 DJYONUQHUPVUOL-UHFFFAOYSA-N 366.443 1.915 70 50 FDIA COCc1nc([C@H]2C[C@@H](NC(=O)c3c(C)nc4sccn34)C2)cc(=O)[nH]1 218642441 GMRLFJFRYYWJEY-XYPYZODXSA-N 373.438 1.610 70 50 FDIA O=C(NCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)c1cnccn1 218162793 DJVQQGDRJDFXPY-HNNXBMFYSA-N 350.382 1.446 70 50 FDIA OC[C@@H](O)c1cc2n(n1)CCN(Cc1ccccc1Cn1cccn1)C2 217150523 IPVRBYJTIMQGMG-LJQANCHMSA-N 353.426 1.169 70 50 FDIA CCn1nc(C)c(CC(=O)Nc2cncc(OS(=O)(=O)F)c2)c1C 1875387749 VTTYCQOWYRBGGA-UHFFFAOYSA-N 356.379 1.689 70 50 FDIA Cc1cccc(CCN2CCn3nc([C@@H](O)c4nccn4C)cc3C2)n1 218454374 WHQVLKUUUGHEON-GOSISDBHSA-N 352.442 1.460 70 50 FDIA Cc1c(F)cccc1CN1CCn2nc([C@@H](O)CC(=O)N(C)C)cc2C1 218300286 BOHLOVPGZYVPHM-SFHVURJKSA-N 360.433 1.858 70 50 FDIA Cc1cc(C)nc(SCc2ccc(C(=O)NCc3n[nH]c(=O)[nH]3)o2)n1 217564814 WNCBBUDHDMOIAI-UHFFFAOYSA-N 360.399 1.320 70 50 FDIA CC(=O)Nc1cccc2c1ccn2CC(=O)NCc1nnc2ccccn12 218121181 CAWNRRKCDIBXJT-UHFFFAOYSA-N 362.393 1.959 70 50 FDIA COc1cn(CC(=O)Nc2ccc(Cn3cncn3)cc2)c(C)cc1=O 218387076 UUDZIURIASPTEU-UHFFFAOYSA-N 353.382 1.444 70 50 FDIA CN(Cc1nc(-c2ccccn2)no1)C(=O)CSc1nnc(N)s1 216969936 KMNRDCOIBPDABR-UHFFFAOYSA-N 363.428 1.316 70 50 FDIA COCc1c(C(=O)N[C@H](c2cncc(OC)c2)[C@H]2C[C@H](O)C2)noc1C 218782209 RCYIPEQQWUALCI-GHJWDPDVSA-N 361.398 1.775 70 50 FDIA CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)c1c[nH]c2ncccc12 159441114 AQQVDFFAOITJTP-UHFFFAOYSA-N 366.487 1.542 70 50 FDIA Cc1ccccc1OC[C@@H](O)C(=O)NCCc1noc(C(F)(F)F)n1 217178505 GVPJKNVBLUAGET-SNVBAGLBSA-N 359.304 1.495 70 50 FDIA CN(CC(=O)N1CCC(N2CCC[C@@H](O)C2)CC1)Cc1ccccc1F 216756401 ZGYUDOFUWWSVOM-GOSISDBHSA-N 363.477 1.705 70 50 FDIA CNC(=O)Nc1cccc(C(=O)N[C@@H]2CC[C@H](CS(=O)(=O)F)C2)c1 2325887645 IEBXXBGFFAQYBF-GXFFZTMASA-N 357.407 1.636 70 50 FDIA CCN1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O 218312763 BHPMEZSMWXXVLT-SJORKVTESA-N 372.469 1.488 70 50 FDIA O=S(=O)(F)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H](C2)C3O)cc1 1875366891 UHEDWDDVSADMRW-BVUQATHDSA-N 363.432 1.126 70 50 FDIA CCCc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)cc1 216715367 OSDQZBIEKXMYIT-MSOLQXFVSA-N 371.481 1.790 70 50 FDIA Cc1cc(O)nc2ccc(S(=O)(=O)N3CCn4nc(CO)cc4C3)cc12 217650601 MROMQDCODQOIHF-UHFFFAOYSA-N 374.422 1.142 70 50 FDIA O=C(c1ccccc1N1CCOCC1)N1CCCn2nc(CO)cc2C1 217027207 LDOVLCKXEOIBON-UHFFFAOYSA-N 356.426 1.258 70 50 FDIA Cc1nc(C)c(CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)nc1C 2325890176 KJLZFWNPJNWLGC-UHFFFAOYSA-N 351.403 1.919 70 50 FDIA Cc1n[nH]c([C@H]2CCCN(C(=O)COc3ncnc4ccccc34)C2)n1 217102821 HZIOHCIMMCXSHF-ZDUSSCGKSA-N 352.398 1.841 70 50 FDIA CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)c1c[nH]nc1-n1cnnn1 217646509 KWAAMYNJZUMNGW-SFHVURJKSA-N 351.414 1.825 70 50 FDIA Cc1ccc2[nH]c(C(=O)N3CCCn4nc([C@@H](O)CO)cc4C3)nc2c1 217956240 AJBWVKMAQHDHHT-INIZCTEOSA-N 355.398 1.140 70 50 FDIA O=C(CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 161094250 SAODERZDCKYCQH-GJZGRUSLSA-N 358.360 1.672 70 50 FDIA C[C@H](Cc1cccnc1)NC(=O)c1ccccc1N1CCS(=O)(=O)CC1 218528598 DNBLKQOVBCBWFS-OAHLLOKOSA-N 373.478 1.677 70 50 FDIA COc1nc2ccccc2nc1CCC(=O)NCc1nnc2n1CCC2 218565091 MQOXVSZWFLAIKH-UHFFFAOYSA-N 352.398 1.425 70 50 FDIA C[C@H](O)c1cc2n(n1)CCCN(c1ncc(F)c(N3CCOCC3)n1)C2 217488320 LGGKSPJWNYVEMQ-LBPRGKRZSA-N 362.409 1.112 70 50 FDIA Cc1n[nH]c([C@H]2CCCN(C(=O)CN3CCOc4ccccc4C3)C2)n1 217808443 YYTLPDFJNLGYSW-INIZCTEOSA-N 355.442 1.714 70 50 FDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCS(=O)(=O)c1ccccc1 218110332 PZFBPXGUKLNEPJ-ABFRBSLYSA-N 353.440 1.017 70 50 FDIA Cn1cc(C(=O)N2CCN(c3ccnc4nncn34)CC2)c2ccccc21 217868145 VZDPROPDOXVWHZ-UHFFFAOYSA-N 361.409 1.578 70 50 FDIA CCOCC(=O)N1CCC(C(=O)N(C)CCc2c(C)n[nH]c2C)CC1 218758309 IGCPHYPWIPQVFC-UHFFFAOYSA-N 350.463 1.303 70 50 FDIA COc1cccc(N2C[C@H](C(=O)N[C@H](CO)CCSC)CC2=O)c1 218214691 XELSIPVNZSBHCM-OLZOCXBDSA-N 352.456 1.278 70 50 FDIA Cc1ccc(S[C@@H](C)C(=O)N2CCN(c3ncc[nH]c3=O)CC2)cc1 217440150 RVHZTBXDBGLAQZ-AWEZNQCLSA-N 358.467 1.908 70 50 FDIA O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1nc2ccccc2[nH]c1=O 218756359 MPLSCXDGYQZGBQ-HZPDHXFCSA-N 357.410 1.627 70 50 FDIA Cn1cnnc1SCCNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 217712111 GOIFNVYVTIHUQO-UONOGXRCSA-N 365.503 1.452 70 50 FDIA CN1CCC(N2CCC[C@H]2C(=O)N2CCC(Cn3ccnc3)CC2)CC1 218217829 HRMDKIAKVLDZKT-IBGZPJMESA-N 359.518 1.680 70 50 FDIA COCCOCCN(C)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382944 YQJQOPJUEJZXHT-UHFFFAOYSA-N 350.368 1.406 70 50 FDIA O=C(Cn1ccc2ccccc21)N1CCCn2nc([C@@H](O)CO)cc2C1 217521492 AGJXDYXBYUXAQQ-SFHVURJKSA-N 354.410 1.296 70 50 FDIA Cc1csc(S(=O)(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c1 218131835 OJJFYIVUUGPHNI-CHWSQXEVSA-N 354.453 1.966 70 50 FDIA O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 217549277 JYTRBQWVRDMZHN-OAHLLOKOSA-N 367.409 1.557 70 50 FDIA COCc1nc(C)c(CNC(=O)[C@@H](C)Sc2nc(C)cc(=O)[nH]2)s1 218496669 KVJHXQKXQJGAFI-SNVBAGLBSA-N 368.484 1.787 70 50 FDIA Cn1cc([C@@H](NC(=O)CCn2c(=O)[nH]c3ccccc32)C2CC(O)C2)cn1 218662278 ZNLIATVOULZTRK-WFZFXDGQSA-N 369.425 1.082 70 50 FDIA Cc1nc(O)nc(C)c1CCC(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 218121029 KQNHIWBTKYFDMK-SUYBPPKGSA-N 359.430 1.094 70 50 FDIA O=C(CCc1cc(Cl)no1)NC[C@H](c1ccccn1)N1CCOCC1 217158800 DCCLCDQTFVJVGY-OAHLLOKOSA-N 364.833 1.845 70 50 FDIA O=C(CN1CC[C@H](c2ccccc2)C1)NCc1nc(-c2cnccn2)n[nH]1 217558011 IZTUUNZTYUMYRX-HNNXBMFYSA-N 363.425 1.367 70 50 FDIA CCC[C@H](NC(C)=O)C(=O)N1CCc2[nH]c(-c3ccc(OC)nc3)nc2C1 218627308 ZETWLIIZGHQRLJ-HNNXBMFYSA-N 371.441 1.670 70 50 FDIA CCc1oc(C(=O)N2CCn3nc(CO)cc3C2)cc1CN1CCCC1 217009408 OBSDSVMEVMIBGU-UHFFFAOYSA-N 358.442 1.783 70 50 FDIA Cc1ccc2nc(COCC(=O)N3CCn4nc(CO)cc4C3)[nH]c2c1 216943117 PMAFRKLMGHUUOB-UHFFFAOYSA-N 355.398 1.119 70 50 FDIA C[C@H](NS(C)(=O)=O)C(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 218061456 WRGDHDAMKBDOAY-VIFPVBQESA-N 358.851 1.203 70 50 FDIA COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@H](CO)C(C)C)C=C2 217896433 ODAQLOQOKZFVIQ-OAHLLOKOSA-N 362.426 1.192 70 50 FDIA biogenic CCOc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)Cl 245197903 GXKHHMQWWWKFNK-MRVPVSSYSA-N 367.832 1.325 70 50 FDIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccc(Cn2cnnn2)cc1 217788887 FIOPSNGSGPHISC-ZWKOTPCHSA-N 354.458 1.716 70 50 FDIA biogenic Cc1ccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2)o1 218042432 PRTGTJNEHNXLIR-SFHVURJKSA-N 373.428 1.777 70 50 FDIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(OCc2nccn2C)cc1 218324216 YXTUBWFPQROJTI-CQSZACIVSA-N 355.398 1.331 70 50 FDIA O=C(CNC(=O)NCc1ccc(Cl)cc1)N[C@H]1c2ccccc2C[C@@H]1O 159828386 TVSCBIZJUIMJMA-WMZOPIPTSA-N 373.840 1.914 70 50 FDIA COc1cc(OC)c([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1OC 217592970 ZDPJSBDGLPBNDV-NSHDSACASA-N 363.366 1.687 70 50 FDIA biogenic O=C(C1=Cc2ccccc2OC=C1)N1CCn2nc([C@H](O)CO)cc2C1 217359554 FOELKYHZBKJMBM-QGZVFWFLSA-N 353.378 1.241 70 50 FDIA O=C(Cn1ccc2ccccc21)N1CCCn2nc([C@H](O)CO)cc2C1 217521582 AGJXDYXBYUXAQQ-GOSISDBHSA-N 354.410 1.296 70 50 FDIA C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2cnccn2)CC1 217963166 IJQOIIVCCAQKCL-ZDUSSCGKSA-N 356.382 1.321 70 50 FDIA CCN1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O 218312816 BHPMEZSMWXXVLT-IRXDYDNUSA-N 372.469 1.488 70 50 FDIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1nc(=O)[nH]c3ccccc13)C2 217535020 POAHOEPYPAHSLA-NSHDSACASA-N 353.382 1.219 70 50 FDIA CN1CCN(C)[C@@H](CC(=O)NCCc2ccccc2OC(F)(F)F)C1 217939287 CFBPMBKDKGLDAT-AWEZNQCLSA-N 359.392 1.880 70 50 FDIA CCN(Cc1nc(COC)no1)C(=O)c1ccc(N2CCN(C)CC2)cc1 218304603 SOCMJIWOCPJJKU-UHFFFAOYSA-N 373.457 1.630 70 50 FDIA COc1ccc(C(=O)N2CCC(C(=O)N[C@H]3C[C@@H]4OCC[C@H]34)CC2)cc1 218017457 FVVDDLCKLJPHQH-SQNIBIBYSA-N 358.438 1.841 70 50 FDIA Cc1ccn2cc(CNC(=O)[C@@H]3Cc4ccccc4S(=O)(=O)N3)nc2c1 217907452 QHGUQLDSLXOAQG-HNNXBMFYSA-N 370.434 1.162 70 50 FDIA CN1C(=O)N(C)C2(CCN(C(=O)c3ccccc3N3CCCC3)CC2)C1=O 217190574 VHZQXSHGTBOFPX-UHFFFAOYSA-N 370.453 1.785 70 50 FDIA CC(=O)N[C@H]1CN(C(=O)CCc2nncn2C)C[C@@H]1c1ccc(C)cc1 216725421 SGJZCFNUFWNIBR-SJORKVTESA-N 355.442 1.187 70 50 FDIA Cn1cccc1-c1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)[nH]n1 217993662 ZUJXZJIEXKYKEC-CXAGYDPISA-N 367.409 1.777 70 50 FDIA Cc1nc(N)nc(C)c1CC(=O)N1CC[C@H](N2CCCCCC2)[C@@H](O)C1 216660970 UIYUIUACFBKUEW-IRXDYDNUSA-N 361.490 1.056 70 50 FDIA Cc1nc([C@H]2CCCN(C(=O)COc3ccc(-n4cnnn4)cc3)C2)no1 218707173 XHKPIKWCSVJXKQ-ZDUSSCGKSA-N 369.385 1.139 70 50 FDIA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(CCOCc1ccccc1)C2 216706494 PRFQRXZMBSOQKU-ROUUACIJSA-N 367.515 1.406 70 50 FDIA NC(=O)COc1ccc(CN2CCCn3nc(CO)cc3C2)cc1Cl 217044568 USCOFYXZHOMCQN-UHFFFAOYSA-N 364.833 1.299 70 50 FDIA OC[C@@H](O)c1cc2n(n1)CCCN(Cc1c[nH]nc1-c1ccc(F)cc1)C2 218061199 YTHHOQVEDKWFGC-GOSISDBHSA-N 371.416 1.844 70 50 FDIA Cc1nc(C2CCN(C(=O)CN3CCOc4ccccc4C3)CC2)no1 217904801 QFAFZFKHBYIAFL-UHFFFAOYSA-N 356.426 1.979 70 50 FDIA Cc1nc(CC(=O)N2CCCn3nc([C@H](O)CN(C)C)cc3C2)cs1 218586248 GLKYRRNUIDVDQH-MRXNPFEDSA-N 363.487 1.218 70 50 FDIA COc1cccc(N2CCC(N[C@@H]3CCOC[C@H]3OCCO)CC2)c1 218086872 QLYUHXSYEGUCFP-RTBURBONSA-N 350.459 1.420 70 50 FDIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc(OCc2ccccn2)c1 218344043 XXYNVIMNHLTYGV-INIZCTEOSA-N 352.394 1.993 70 50 FDIA COC(=O)CCNC(=O)c1cn(-c2ccccn2)c(=O)c2ccccc12 218616130 JGRFORBMXXBQRM-UHFFFAOYSA-N 351.362 1.679 70 50 FDIA COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)cc(C)oc1=O 218016227 QGTAYUGEUWBFQN-LBPRGKRZSA-N 372.377 1.539 70 50 FDIA biogenic Cn1ccc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n1 218328987 DBNNUPOGSAEHAU-LBPRGKRZSA-N 361.789 1.523 70 50 FDIA CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCCc1ccco1 218198464 CHISKMFGNOEPRQ-UHFFFAOYSA-N 361.423 1.965 70 50 FDIA COC(=O)CCNC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O 218196557 VVYQZHSYGRSYKU-UHFFFAOYSA-N 365.389 1.743 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cccc(N3CCNC3=O)c1)C2 217723310 XTGVAFKHADLKEN-GFCCVEGCSA-N 355.398 1.122 70 50 FDIA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(Cn3ccnc3)o1)C2 216777260 DSHFALNJJFQXAW-CABCVRRESA-N 372.425 1.234 70 50 FDIA COc1ccccc1CNC(=O)CN1CCn2nc([C@H](O)C3CC3)cc2C1 218221349 UGGZGDSVJQWOGA-HXUWFJFHSA-N 370.453 1.467 70 50 FDIA NCCNC(=O)[C@@H]1CCCN(c2ncc(Cl)cc2Br)C1 159661959 OYNMBFGSUFWMNP-SECBINFHSA-N 361.671 1.789 70 50 FDIA CNc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)ccn1 218449514 OUALKBIDFLPAGR-IAGOWNOFSA-N 357.410 1.582 70 50 FDIA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCc2ccccc2C1 218288931 ZLYZNHLTEBBINS-INIZCTEOSA-N 353.378 1.675 70 50 FDIA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1ccc2[nH]nnc2c1 218132886 GRTBZRJNLCGPTJ-CABCVRRESA-N 359.411 1.519 70 50 FDIA CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)Cc1cc(F)c(F)c(F)c1 218563380 XNIULTVXYULAAA-HUUCEWRRSA-N 360.376 1.498 70 50 FDIA O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1n[nH]c(C2CCC2)n1 217892997 CCNSMKKNEUKLJX-ZDUSSCGKSA-N 368.397 1.542 70 50 FDIA biogenic Nc1nc2c(c(C(=O)N3CCN(c4ccc(Cl)cn4)CC3)n1)CCCC2 217643318 LEYLAPIOUSETSA-UHFFFAOYSA-N 372.860 1.948 70 50 FDIA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)Cc1c(C)noc1C 218278227 PWVXETPRIFMXGO-SJORKVTESA-N 363.414 1.929 70 50 FDIA CN(CC(=O)N1CCCO[C@@H](CN2CCCCC2)C1)Cc1ccncc1 217337612 VCRIXNDEUOWDSA-IBGZPJMESA-N 360.502 1.617 70 50 FDIA CC(=O)c1c(C)nn(CC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1C 218534389 FBADUOILIWILIG-KRWDZBQOSA-N 362.474 1.462 70 50 FDIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cccc(OCc2ccccn2)c1 218343954 XXYNVIMNHLTYGV-MRXNPFEDSA-N 352.394 1.993 70 50 FDIA O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCCN(c2cnccn2)C1 217345164 ZFHZNFIKKZVCDX-MRXNPFEDSA-N 365.437 1.608 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1nc(=O)[nH]c3ccccc13)C2 217534942 POAHOEPYPAHSLA-LLVKDONJSA-N 353.382 1.219 70 50 FDIA CN(C)c1ccccc1C(=O)NC1CCN(C(=O)N2CCOCC2)CC1 217157868 VETOILJOODMTHG-UHFFFAOYSA-N 360.458 1.399 70 50 FDIA CC(C)NC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 217519870 BWKIEMWIVKCKOU-PYQAKABTSA-N 370.405 1.222 70 50 FDIA biogenic CC[C@@H](NC(=O)Cn1cc(C)c(=O)[nH]c1=O)c1nc2cc(C)ccc2[nH]1 217149026 GVUCKTTVARJEKC-GFCCVEGCSA-N 355.398 1.297 70 50 FDIA COCCNc1nc2cc(C(=O)N(C)C[C@H]3COCCO3)ccc2n1C 217514464 AXBMZCZITVQAIV-AWEZNQCLSA-N 362.430 1.119 70 50 FDIA CN(C)C[C@]1(O)CCCN(C(=O)CN2CCC(c3ccccc3)CC2)C1 217552082 JKFHHXSYYQIWFT-OAQYLSRUSA-N 359.514 1.781 70 50 FDIA CC(C)[C@H](NC(=O)CCNC(=O)c1cnccn1)c1nc2ccccc2[nH]1 218610184 JWTLRVGVFMCHOX-KRWDZBQOSA-N 366.425 1.986 70 50 FDIA O=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)c1cn2ccccc2n1 218292988 ONCLMIRSRQQREU-SJLPKXTDSA-N 367.405 1.793 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCN(Cc1cc(Cl)ccc1OCC(N)=O)C2 217550227 VWHLHIAUGPHIHY-LLVKDONJSA-N 364.833 1.470 70 50 FDIA Cc1ncccc1Oc1ncnc(N2CCn3nc(CO)cc3C2)c1C 217518174 FZMQFBRZTLZWCS-UHFFFAOYSA-N 352.398 1.990 70 50 FDIA Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CCc2nc3ccccc3s2)C1 218309233 CZLLGWCEWLKPQE-HAQNSBGRSA-N 371.466 1.912 70 50 FDIA O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1n[nH]c2c1COCC2 218474657 IIRSKQJWNADQHG-SJORKVTESA-N 357.410 1.587 70 50 FDIA COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)cc1Cl 218587660 BOILBENIAIQREV-NXEZZACHSA-N 356.227 1.430 70 50 FDIA CSCC[C@@H](CO)NC(=O)c1cn(C)c2c(F)cc(F)cc2c1=O 218218760 FPYPPVSRFXSHEE-JTQLQIEISA-N 356.394 1.661 70 50 FDIA COc1cn(CC(=O)Nc2n[nH]c(CCc3ccccc3)n2)c(C)cc1=O 218336816 VYHKWTGBVUNWAK-UHFFFAOYSA-N 367.409 1.707 70 50 FDIA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)C1(Cn2ccnc2)CC1 217989538 LFYUGEZKUXWIMT-HUUCEWRRSA-N 362.455 1.610 70 50 FDIA O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1ccc(O)cc1 217859084 YJZZEIVSLUXSCD-INIZCTEOSA-N 371.393 1.545 70 50 FDIA biogenic OC1CCN(c2ccnc(N[C@@H](c3ccccn3)[C@H]3C[C@H](O)C3)n2)CC1 218046723 JQOSBLDEFITSAB-QIIPPGSGSA-N 355.442 1.757 70 50 FDIA Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NCc2nnc3n2CCCCC3)n1 218640224 PVWMRGYQHOJSBW-LLVKDONJSA-N 362.459 1.193 70 50 FDIA CN1CCCNC(=O)C12CCN(C(=O)CCc1ccc(F)c(F)c1)CC2 216997999 UVVWOBPMNWDXDK-UHFFFAOYSA-N 365.424 1.710 70 50 FDIA CN(CC(=O)NC[C@H]1CC(=O)N(C)c2ccccc21)Cc1ccccn1 217541055 IXKIXMNJCXWDNY-OAHLLOKOSA-N 352.438 1.780 70 50 FDIA O=[N+]([O-])c1ncc(N2CC[C@H](S(=O)(=O)F)C2)cc1Br 2325891809 ZRJMPDRAAWWFFZ-ZETCQYMHSA-N 354.157 1.630 70 50 FDIA COc1cccc(C(=O)N2CCC(C(=O)NCc3nnc(C)o3)CC2)c1 217060966 CGHSPFANDYPKIB-UHFFFAOYSA-N 358.398 1.555 70 50 FDIA C[C@H](O)c1cc2n(n1)CCCN(Cc1cc(=O)n3cccc(O)c3n1)C2 217757245 SOEONZGBOOGKBZ-LBPRGKRZSA-N 355.398 1.056 70 50 FDIA COC[C@@H]1[C@@H](NC(=O)CCNC(=O)c2ccc(F)cc2)[C@@H]2CCO[C@@H]21 218422209 RQWLHJVUSNPZPG-FSDCSDTHSA-N 350.390 1.112 70 50 FDIA NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cc(Cl)c[nH]2)cc1 218736541 BIQPODIAKURIJZ-HUUCEWRRSA-N 363.801 1.733 70 50 FDIA O=C(CN1CCCCCC1=O)N[C@H]1C[C@@H](c2cc(=O)[nH]c(C3CC3)n2)C1 218734742 MLWVZTBOTBVVKY-HDJSIYSDSA-N 358.442 1.412 70 50 FDIA CCCn1ncc(CN2CCCn3nc([C@H](O)CN(C)C)cc3C2)c1C 218589784 BEODSAFSDHDRBS-LJQANCHMSA-N 360.506 1.799 70 50 FDIA Cc1cc(C(=O)N2CCCn3nc(CO)cc3C2)c2c(C)nn(C)c2n1 217838241 NEMGLRJXXPVLIE-UHFFFAOYSA-N 354.414 1.320 70 50 FDIA O=C(NCc1noc(-c2ccccc2)n1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 216916191 UOCRKDIIYIAGMW-UHFFFAOYSA-N 363.333 1.196 70 50 FDIA O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1nnc2n1CCCCC2 218738877 PJUNYVDHAUWENP-CYBMUJFWSA-N 357.389 1.679 70 50 FDIA COc1ccc2[nH]c(=O)c([C@@H](CC(N)=O)c3oc(C)cc(=O)c3O)cc2c1 217643653 FRAMFYITZPWNQZ-GFCCVEGCSA-N 370.361 1.511 70 50 FDIA biogenic O=C(c1cccc(Cn2cccn2)c1)N1CCCn2nc(CO)cc2C1 216998796 SWAYYAYGQSQQKR-UHFFFAOYSA-N 351.410 1.666 70 50 FDIA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccncc1)C2 216633195 GQZIBSKYGUFXCY-CVEARBPZSA-N 354.410 1.950 70 50 FDIA COc1ccc(OC)c(-c2cc(C(=O)N[C@H](CO)CCSC)[nH]n2)c1 218234534 PJVMPCVMYHQYBE-NSHDSACASA-N 365.455 1.938 70 50 FDIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCc1n[nH]c3c1CCCC3)C2 217207109 MMBULCBJWPRNLJ-ZDUSSCGKSA-N 357.458 1.903 70 50 FDIA O=C(c1ccc2ncsc2c1)N1CCCn2nc([C@@H](O)CO)cc2C1 217152357 WTHSNBLPUOVAHU-HNNXBMFYSA-N 358.423 1.565 70 50 FDIA Cc1ccc2c(c1)c(=O)n(C)c1nnc(Cn3cnc(C(C)C)cc3=O)n21 160753525 OSFGPOICRXPARF-UHFFFAOYSA-N 364.409 1.618 70 50 FDIA Cc1nc2ncccn2c1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 218641867 ZGLKHBVTAYSLBD-ZIAGYGMSSA-N 353.382 1.399 70 50 FDIA Cn1cc([C@H](Nc2cncc(C(=O)N3CCCC3)n2)[C@H]2C[C@H](O)C2)cn1 218427665 ZHQMTELCGNWWSZ-HACGYAERSA-N 356.430 1.370 70 50 FDIA CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Cc1c(F)cccc1Cl 160314210 PRMRCDRCOLJBSA-HZMBPMFUSA-N 362.854 1.856 70 50 FDIA CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3CCN(C)CC3)C2=O)cc1 218456397 YMONKWZLNNRELG-INIZCTEOSA-N 358.442 1.399 70 50 FDIA C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cc(=O)[nH]c3ccc(F)cc13)C2 217929352 YNQVJDNPWYEDIL-JTQLQIEISA-N 356.357 1.573 70 50 FDIA O=C(CCc1n[nH]c2c1CCCC2)N1C[C@H]2CCN(C(=O)C3CC3)[C@H]2C1 216949197 VIAYVOJYSBWQIJ-KDOFPFPSSA-N 356.470 1.690 70 50 FDIA O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1nc[nH]n1 218395488 FLGXUMZAVBBJNG-NSHDSACASA-N 362.777 1.297 70 50 FDIA CCc1nc(C)ccc1OCC(=O)N1CCCO[C@@H](Cn2cccn2)C1 217977011 CRFWFCIXMNGGRD-MRXNPFEDSA-N 358.442 1.845 70 50 FDIA O=C(Cc1ccc2c(c1)OCO2)NCCc1nc(-c2ccccn2)no1 218323153 FXXXZFDQHBBHPD-UHFFFAOYSA-N 352.350 1.762 70 50 FDIA Cc1scc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1-c1ccccc1 217365887 VXZCXAWHZBQMIQ-ZIAGYGMSSA-N 351.449 1.611 70 50 FDIA Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCCN(c3ccc(F)cc3)CC1)CC2 218368865 XOYYMJJRJWSQGT-AWEZNQCLSA-N 373.432 1.022 70 50 FDIA CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 218412984 KRDFPENFDWKNCS-VNHYZAJKSA-N 364.442 1.580 70 50 FDIA CSCC[C@@H](CO)NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O 217892132 MTHWSDUAAYJSOR-NSHDSACASA-N 351.424 1.580 70 50 FDIA biogenic CN1CCN(CCOc2ccccc2CN2C[C@@H]3CC[C@H](C2)[C@@H]3O)CC1 217216308 NGUSKQKHBOCQJD-KXTWHKPSSA-N 359.514 1.516 70 50 FDIA Cc1nc(CC(=O)N[C@H]2C[C@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)cs1 218732029 ZPOAKYJFKPOPBU-GUTXKFCHSA-N 373.482 1.417 70 50 FDIA COc1cc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc(OC)c1OC 217782275 LPFSCGFGACZUSO-NSHDSACASA-N 363.366 1.687 70 50 FDIA biogenic Cn1ccnc1CN1CCN(C(=O)CCNC(=O)c2ccccc2F)CC1 217369543 DUQZGLGJZIMICB-UHFFFAOYSA-N 373.432 1.024 70 50 FDIA Cc1ccc2nc(CN3C[C@@H]4CC[C@H](C3)C(=O)N4CC(=O)N(C)C)cn2c1 216981100 QYODYPPLOACUGK-WBVHZDCISA-N 369.469 1.154 70 50 FDIA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ccc(CN2CCCC2)o1 218703330 YLAKEIYSRDYGLW-QXCFHYIPSA-N 359.470 1.857 70 50 FDIA CCOCC(=O)N1CCC(C(=O)N[C@H](CC)c2cn3cccnc3n2)CC1 218747757 ASCOYQXLHIUGLX-OAHLLOKOSA-N 373.457 1.572 70 50 FDIA Cc1cccc2ncc(C(=O)N[C@@H]3CCOC[C@H]3OCC3CC3)c(=O)n12 218712990 SUPAKZAJCJCNHB-HZPDHXFCSA-N 357.410 1.317 70 50 FDIA Cc1cc(C)nc(NCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1 218185928 JOCVVJWXIIBXII-UHFFFAOYSA-N 355.324 1.158 70 50 FDIA Cc1cccc(N(CC(=O)N[C@@H](C)Cc2cccnc2)S(C)(=O)=O)c1 217765263 JUCZOPGUBNWMOP-HNNXBMFYSA-N 361.467 1.903 70 50 FDIA O=C(Cc1ccc2c(c1)OCO2)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 218282938 PKTUJLFODXNOJS-ULQDDVLXSA-N 354.406 1.851 70 50 FDIA COCCc1nc(CNC(=O)C2(c3ccccc3)CCN(C)CC2)no1 218076716 SAEUZOZKKDNVPW-UHFFFAOYSA-N 358.442 1.538 70 50 FDIA CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(C(=O)Cc1ccsc1)C2 218203072 YGDQNUGLHOSSPS-HNNXBMFYSA-N 362.455 1.041 70 50 FDIA O=C(N[C@@H]1CCOC[C@H]1O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 218318838 HMQUMDMLNWUHGU-ZIAGYGMSSA-N 373.375 1.583 70 50 FDIA Cn1c(=O)[nH]cc(CC(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)c1=O 218209055 RYUGJKXGSWUTQL-CYBMUJFWSA-N 361.829 1.676 70 50 FDIA CC(=O)c1c(C)nn([C@H](C)CC(=O)N2Cc3nc(C)n(C)c(=O)c3C2)c1C 218709679 AWLWFMPTKNTSMF-SNVBAGLBSA-N 371.441 1.598 70 50 FDIA COc1ccc2nnc(CCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)n2n1 217742092 RSFMGTUNHPMHAU-LSDHHAIUSA-N 372.473 1.446 70 50 FDIA biogenic COc1ccccc1N1CC[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 161155510 MEZJVBBHDAAPKO-KBPBESRZSA-N 352.456 1.215 70 50 FDIA O=C(CSC12CC3CC(CC(C3)C1)C2)NCCc1noc(CO)n1 218227879 HYXRXXPVTLRIGW-UHFFFAOYSA-N 351.472 1.923 70 50 FDIA Cc1ncn(CCNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)c1C 218049599 XXCMJZGARBVEFS-IBGZPJMESA-N 356.470 1.907 70 50 FDIA CC(=O)c1c(C)nn(CC(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1C 218534466 FBADUOILIWILIG-QGZVFWFLSA-N 362.474 1.462 70 50 FDIA COc1ccc([C@@H](NC(=O)c2c(C)cc(C)n(C)c2=O)C2CC(O)C2)cn1 218696629 SAOUUTVRGHSDJZ-JTTJXQCZSA-N 371.437 1.648 70 50 FDIA CO[C@@H]1CCOC[C@H]1NC(=O)CCN1CCN(c2cccc(C)c2)CC1 218145034 WOQDGPAKOHEDNF-RTBURBONSA-N 361.486 1.427 70 50 FDIA C[C@@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)C[C@@H](C)S1(=O)=O 1875387381 FPHPNPYHKZDCAB-GHMZBOCLSA-N 351.421 1.287 70 50 FDIA CC(C)[C@H](NC(=O)CNC(=O)c1cnccn1)c1nc2ccccc2n1C 218570584 OMCONXLCKGEYHD-KRWDZBQOSA-N 366.425 1.607 70 50 FDIA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1csc(CN(C)C)n1)C2 217073405 KOZBDSNXHZWKQN-HNNXBMFYSA-N 363.487 1.891 70 50 FDIA Cn1c(COc2cccc3ccc(C(N)=O)nc23)nnc1[C@H]1C[C@H](N)C1 218540182 GIQWMRDPSJERQX-TXEJJXNPSA-N 352.398 1.246 70 50 FDIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1cccc2nccnc12 217840356 VUDOTCNAFGBOAJ-NSHDSACASA-N 365.345 1.936 70 50 FDIA biogenic COC(=O)C[C@H](c1ccco1)c1oc(CN2CCOCC2)cc(=O)c1O 218284635 FOZDCHWFOKDRMT-CYBMUJFWSA-N 363.366 1.466 70 50 FDIA CCc1nc(C)ccc1OCC(=O)N1CCC[C@@H](c2nnc(CO)n2C)C1 217908577 VQXYBVGTECLADH-CQSZACIVSA-N 373.457 1.358 70 50 FDIA CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCOC[C@H]2OCC2CC2)cc1 218446762 RFXNOBAOLOVYEE-IAGOWNOFSA-N 367.467 1.333 70 50 FDIA NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)CCc2ccncc2)cc1 218689372 KLCSFGQBTKNXHT-QZTJIDSGSA-N 369.421 1.466 70 50 FDIA CS(=O)(=O)c1ccc(C2(C(=O)NCc3nnc(N)s3)CCC2)cc1 218441748 DHDIZMKJGVGPNS-UHFFFAOYSA-N 366.468 1.262 70 50 FDIA CN1C[C@]2(CCCN(C(=O)CN3CCc4ccccc4C3)CC2)OC1=O 217944593 JEOUHODVMORVFX-HXUWFJFHSA-N 357.454 1.878 70 50 FDIA CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 218540609 GDAZDPNHAFVKTH-KGLIPLIRSA-N 374.359 1.698 70 50 FDIA COc1ccc(NC(=O)C[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)cn1 218245650 HDMNPKMVZDPYCF-AWEZNQCLSA-N 372.356 1.679 70 50 FDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CC[C@H](n2cncn2)C1 1875387947 GSLFCQNTNOJZIP-NSHDSACASA-N 355.351 1.350 70 50 FDIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cc3cccc4c3n(c2=O)CC4)o1 217881699 IDFMCTSXMDZAPV-ZDUSSCGKSA-N 366.373 1.532 70 50 FDIA biogenic OC[C@H](O)c1cc2n(n1)CCCN(Cc1c[nH]nc1-c1ccc(F)cc1)C2 218061272 YTHHOQVEDKWFGC-SFHVURJKSA-N 371.416 1.844 70 50 FDIA Cc1cc(O)n2nc(CC(=O)NCCCn3ccnc3C(C)C)nc2n1 217150935 YJOLYARJIYJJFQ-UHFFFAOYSA-N 357.418 1.207 70 50 FDIA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cc1ccc(O)c(Cl)c1)C2 216955251 ZMPNKMKJTLAJHD-KGLIPLIRSA-N 366.845 1.684 70 50 FDIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1nc3ccccc3[nH]c1=O)C2 217148861 APVYWTDWDLYOHU-NSHDSACASA-N 353.382 1.219 70 50 FDIA CN(CCc1noc(C(F)(F)F)n1)C(=O)Cn1c(=O)oc2ccccc21 217114063 YLCAKBMHRWFCSX-UHFFFAOYSA-N 370.287 1.697 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(-c3nnn(C)n3)cc1)C2 218006752 WJLLKJGCHZGINC-GFCCVEGCSA-N 367.413 1.173 70 50 FDIA Cc1noc(C)c1CC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 218757198 BIQUKVURLLEWMM-HUUCEWRRSA-N 351.428 1.781 70 50 FDIA COC(=O)C[C@@H](c1ccco1)c1oc(CN2CCOCC2)cc(=O)c1O 218284695 FOZDCHWFOKDRMT-ZDUSSCGKSA-N 363.366 1.466 70 50 FDIA CCc1nc(C)c(CC(=O)NCc2cnn(-c3ccc(F)cc3)c2)c(=O)[nH]1 217188770 UGZXOLKUUCKZCD-UHFFFAOYSA-N 369.400 1.824 70 50 FDIA COc1ccc(N2C(=O)N[C@@H](CC(=O)NCc3ccccn3)C2=O)cc1 218541693 PYNLGGVAVZENFS-HNNXBMFYSA-N 354.366 1.222 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc3[nH]c(CO)nc3c1)C2 217721792 IBAZTOHTLFQURQ-LLVKDONJSA-N 355.398 1.351 70 50 FDIA COC(=O)C[C@H](c1ccccc1)c1oc(CN2CCOCC2)cc(=O)c1O 217911615 NHLLDMJQIDXKTI-MRXNPFEDSA-N 373.405 1.873 70 50 FDIA biogenic C[C@H](Cn1cccn1)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 218782694 DOAHJTGUHRRRGV-SNVBAGLBSA-N 374.392 1.738 70 50 FDIA Cc1nc2ccccc2n1CCNC(=O)C1(n2cnnn2)CCCCC1 218273644 GJUCVASGLSSTLU-UHFFFAOYSA-N 353.430 1.807 70 50 FDIA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC1CCC2(CCNCC2)CC1 218280944 MKXBVEDWKFBCNX-IAGOWNOFSA-N 353.507 1.151 70 50 FDIA OC[C@H](O)c1cc2n(n1)CCCN(C1CCN(Cc3ccco3)CC1)C2 217201687 RNJKUFDIHCFFMJ-IBGZPJMESA-N 360.458 1.372 70 50 FDIA CC(C)n1cc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cn1 218317766 IXZYIVRSUZNXSH-UHFFFAOYSA-N 368.434 1.686 70 50 FDIA CC(=O)c1c(C)nn(CC(=O)NCc2csc(-c3ncccn3)n2)c1C 218387937 LAWWRBHNLHFXAQ-UHFFFAOYSA-N 370.438 1.932 70 50 FDIA Cn1c(=O)n(C)c2cc(CNC(=O)[C@@H]3CCc4ccccc4O3)ccc21 218520053 XNWRXEIFSSSTAT-SFHVURJKSA-N 351.406 1.887 70 50 FDIA Cc1cc(O)n2nc(CC(=O)NCc3ccccc3-n3ccnc3)nc2n1 218600656 DBQJMAXZSGSQMM-UHFFFAOYSA-N 363.381 1.183 70 50 FDIA CSc1ncccc1C(=O)N1CCN(c2ccc3nccn3n2)CC1 217075856 JCXXGYKGWQCWLM-UHFFFAOYSA-N 354.439 1.809 70 50 FDIA CC(C)Cc1nccc(C(=O)Nc2cncc(OS(=O)(=O)F)c2)n1 1875387777 WWDOKKFFTKVLMS-UHFFFAOYSA-N 354.363 1.916 70 50 FDIA Cc1n[nH]c(C)c1[C@@H](N)C(=O)NCc1nncn1CCc1ccccc1 218555497 FHSQYJZZBYMQHG-QGZVFWFLSA-N 353.430 1.177 70 50 FDIA Cc1cc2c(cc1C(=O)N1CCC3(CC1)C(=O)NCCCN3C)OCCO2 218624506 YTOPWIDJDLOOPO-UHFFFAOYSA-N 373.453 1.193 70 50 FDIA COc1ccccc1N1CCN(C(=O)CN2CCC[C@@H](O)C2)CC1(C)C 216837550 AJIQIDSQUUZZPL-MRXNPFEDSA-N 361.486 1.579 70 50 FDIA Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)CCN2Cc3ccccc3C2)C1 217471386 OGEHHFLGGAJZHW-QGZVFWFLSA-N 369.469 1.419 70 50 FDIA NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)Cc2ccsc2)cc1 218473030 BVCNRBIBODGVQG-HZPDHXFCSA-N 360.435 1.742 70 50 FDIA Cc1cc(=O)c2cccc(C(=O)N3CCn4nc([C@@H](C)O)cc4C3)c2[nH]1 216989406 XZFCFIDLGDJHAY-GFCCVEGCSA-N 352.394 1.742 70 50 FDIA CN(CC(=O)N1CCCC[C@H]1CN1CCOCC1)Cc1ccccc1F 218181493 FAHPNCXSVLQZBE-SFHVURJKSA-N 363.477 1.971 70 50 FDIA CSc1ccccc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2CC(=O)N(C)C 216905218 MSRRXBOJGDLSLW-CVEARBPZSA-N 361.511 1.920 70 50 FDIA CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 217815045 ABAAFLWLAVXCCK-BPLDGKMQSA-N 362.426 1.287 70 50 FDIA C[C@@H]1Oc2ccc(C(=O)C3CCN(S(=O)(=O)F)CC3)cc2NC1=O 1875374074 ZNCYQGNSLYPWMJ-VIFPVBQESA-N 356.375 1.515 70 50 FDIA Nc1nccc(C2CCN(C(=O)C3(N4CCOCC4)CCCCC3)CC2)n1 217190095 LDYWIQIPSCXDLV-UHFFFAOYSA-N 373.501 1.800 70 50 FDIA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1ccccc1N1CCC(=O)NC1=O 217381490 PRFKBBGQFUEDEI-JTQLQIEISA-N 355.398 1.964 70 50 FDIA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1cc(=O)nc2sccn12 218256664 VXSNQQMFSGAGTF-KWCYVHTRSA-N 370.434 1.263 70 50 FDIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCn1ccnc1C 218477529 MDNRGFWNQOYYAR-MRXNPFEDSA-N 358.442 1.579 70 50 FDIA O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N[C@H](CO)c1ccccc1 217695463 XTSIAVIQNLGYLU-DLBZAZTESA-N 367.405 1.347 70 50 FDIA biogenic O=C(Cn1cnc2ccsc2c1=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 218405593 OJXDQOPOYXMBAK-BFQNTYOBSA-N 370.434 1.481 70 50 FDIA COc1ccc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)c(OC)c1OC 217701981 DWMYDORCKFHIRJ-NSHDSACASA-N 363.366 1.687 70 50 FDIA biogenic CNS(=O)(=O)c1ccc(CCC(=O)NCCc2scnc2C)cc1 217620197 HTOKNISENRNAQK-UHFFFAOYSA-N 367.496 1.651 70 50 FDIA CCCc1cc(N2CCn3nc([C@H](O)c4nccn4C)cc3C2)nc(C)n1 218233505 ADXDXJAYAIQFHD-SFHVURJKSA-N 367.457 1.769 70 50 FDIA Cn1c(=O)[nH]cc(CC(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)c1=O 218209129 RYUGJKXGSWUTQL-ZDUSSCGKSA-N 361.829 1.676 70 50 FDIA COc1cccc(C(=O)N2CCC(C(=O)N3CCc4n[nH]cc4C3)CC2)c1 217904261 HVNBHWTZJQMJRU-UHFFFAOYSA-N 368.437 1.855 70 50 FDIA Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)nc(C)n1 218601904 BHISNXUBDCXCCC-NVXWUHKLSA-N 360.414 1.802 70 50 FDIA COCCn1c(C)cc(C)c(C(=O)NCCOc2ccc(OC)cc2)c1=O 218611630 QOAKGQISNGNCFM-UHFFFAOYSA-N 374.437 1.929 70 50 FDIA CCNc1ncc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)cn1 218185702 LIAZOMKXMOAQIL-HZPDHXFCSA-N 357.414 1.408 70 50 FDIA Cc1nc2ncccn2c1C(=O)N[C@@H]1COCC[C@@H]1OCc1cscn1 218471238 HLVUFTXWKCFTPH-KGLIPLIRSA-N 373.438 1.598 70 50 FDIA Cn1nnc2ccc(NC(=O)CCc3ccc4c(c3)CCO4)cc2c1=O 218247011 YELYZTWEHWJHJS-UHFFFAOYSA-N 350.378 1.835 70 50 FDIA O=S(=O)(Nc1ncc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3O)cn1)c1ccccc1 217155544 FHPLTPWEYWACAZ-QLPKVWCKSA-N 374.466 1.480 70 50 FDIA C[C@H]1C[C@@H](C)CN(S(=O)(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)C1 161253016 XDFKKCALCOYRPO-LZWOXQAQSA-N 365.499 1.884 70 50 FDIA COc1nc2ccccc2nc1CCC(=O)NCCc1csc(N)n1 217990347 KHPHITHAKXZABH-UHFFFAOYSA-N 357.439 1.969 70 50 FDIA C[C@H](O)c1cc2n(n1)CCN(C(=O)COCc1nc3ccccc3[nH]1)C2 216957351 GFWSNLUGRKYAHX-LBPRGKRZSA-N 355.398 1.372 70 50 FDIA Cn1cc(C(=O)N2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c(=O)[nH]c1=O 217610258 GEZLRLUHLNFCAP-CYBMUJFWSA-N 357.345 1.066 70 50 FDIA O=C(CN1CCCCCC1=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 218379895 CAYSLYPHUJYWEX-MSOLQXFVSA-N 360.454 1.880 70 50 FDIA O=S(=O)(F)N1CCC[C@H](c2nnc3n2C[C@@H](C(F)(F)F)CC3)C1 1875368442 RIXYFPQRLXLTEV-IUCAKERBSA-N 356.345 1.797 70 50 FDIA O=C(CCN1Cc2ccccc2C1=O)N[C@H]1CCCN(c2cnccn2)C1 217345254 ZFHZNFIKKZVCDX-INIZCTEOSA-N 365.437 1.608 70 50 FDIA OC[C@H](O)c1cc2n(n1)CCCN(C1CCN(c3ccccc3)CC1)C2 217904028 MACZUPBVLLDINY-FQEVSTJZSA-N 356.470 1.784 70 50 FDIA O=C(Cc1c[nH]c(=O)[nH]c1=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 217583185 JNFHCJZJQPRUJX-AWEZNQCLSA-N 355.394 1.559 70 50 FDIA Nc1nnc(SCC(=O)NCc2csc(-c3ncccn3)n2)s1 218250322 BBVDGPDNGMDXMZ-UHFFFAOYSA-N 365.469 1.442 70 50 FDIA CSCc1ccc(C(=O)N2CCN(c3ccnc4nncn34)CC2)o1 217001261 NNACIWVNGFFMSV-UHFFFAOYSA-N 358.427 1.543 70 50 FDIA O=C(C[C@@H]1COc2ccccc2O1)Nc1cncc(OS(=O)(=O)F)c1 1875387696 UBHUZYXOXLNMKB-GFCCVEGCSA-N 368.342 1.843 70 50 FDIA Cc1cc(CNC(=O)c2ccc3c(c2)nc(N2CC[C@H](O)C2)n3C)n[nH]1 218637684 YDJDFFPKUGEOMX-AWEZNQCLSA-N 354.414 1.106 70 50 FDIA CS(=O)(=O)NCCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 218773000 DSPDMSYQVWBAHK-SJORKVTESA-N 365.499 1.049 70 50 FDIA CN1C[C@@]2(CCN(C(=O)CN3CCC(c4ccccc4)CC3)C2)OC1=O 217391347 AOXYZISJXRTROC-HXUWFJFHSA-N 357.454 1.919 70 50 FDIA CCCc1ccc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)o1 218558802 UQLLXUMQWWKDKU-QGZVFWFLSA-N 367.471 1.522 70 50 FDIA COCCc1noc([C@H]2CCCCN2C(=O)c2ccc3[nH]nnc3c2)n1 218691130 LGRRXSWJWYMDLE-CQSZACIVSA-N 356.386 1.897 70 50 FDIA Cn1cc([C@@H](NC(=O)CCn2cnc3ccccc32)[C@H]2C[C@H](O)C2)cn1 218334047 GXXPYWUHNIWHMD-OHNRDTAOSA-N 353.426 1.788 70 50 FDIA Cc1nc(O)nc(C)c1CCC(=O)N1CCCn2nc([C@@H](C)O)cc2C1 217861099 RHZYLKOTORMQOB-CYBMUJFWSA-N 359.430 1.414 70 50 FDIA Cn1nc(CN2CCn3nc([C@@H](O)CO)cc3C2)c2c(Cl)cccc21 218274592 OVYQODUAZFEXJQ-INIZCTEOSA-N 361.833 1.465 70 50 FDIA O=C(CCN1CCn2nc([C@@H](O)C3CC3)cc2C1)NCc1cccs1 218427333 JJHFFBUGGQJBFD-SFHVURJKSA-N 360.483 1.910 70 50 FDIA Cn1cc([C@@H](NC(=O)CCc2nc3ccccc3[nH]2)C2CC(O)C2)cn1 218148710 JRZYFCALFGGRIA-JSORRYRYSA-N 353.426 1.857 70 50 FDIA CSCC[C@H](NC(C)=O)C(=O)N1CCC(CCn2cccn2)CC1 218457843 DRINTLJPAOPODY-INIZCTEOSA-N 352.504 1.770 70 50 FDIA O=C(Cn1nc2ccccc2n1)N[C@@H]1COCC[C@H]1Oc1ccccn1 218309772 HTRZIDCPIBKTTA-HZPDHXFCSA-N 353.382 1.179 70 50 FDIA CN(C)C[C@@]1(O)CCCN(C(=O)CN2CCC(c3ccccc3)CC2)C1 217552005 JKFHHXSYYQIWFT-NRFANRHFSA-N 359.514 1.781 70 50 FDIA CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccc(C(C)(C)C)cc1 218591084 PBVWVOAWEAZCEX-SJORKVTESA-N 362.470 1.976 70 50 FDIA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1cc(=O)[nH]c2ccccc12 218675307 JJIWFGJSEOPPOE-VUKOWNLVSA-N 353.422 1.510 70 50 FDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(-c2ccccc2OC)n[nH]1 218774053 HMCXRYRYRPSGHN-DECQCQTCSA-N 357.410 1.865 70 50 FDIA O=C(NCc1cnn2cccnc12)c1ccc(CSc2nnc[nH]2)o1 218691829 YHQQJSWESJLUCV-UHFFFAOYSA-N 355.383 1.663 70 50 FDIA COCCCn1c(C)cc(C)c(C(=O)NCCNc2ncccn2)c1=O 218434646 UAELWXHRTDEXHD-UHFFFAOYSA-N 359.430 1.134 70 50 FDIA O=C(CCN1Cc2ccccc2C1=O)N1CCCn2nc(CO)cc2C1 217211909 VZZWOSPURLJQQJ-UHFFFAOYSA-N 354.410 1.154 70 50 FDIA CCOC(=O)[C@@H]1O[C@@]2(O)C[C@@](C(F)(F)F)(Oc3nc(C)cc(C)c32)O1 217675161 FDYRPJNNMAEJQW-HZSPNIEDSA-N 363.288 1.821 70 50 FDIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCc1cn3ccccc3n1)C2 217164915 DWWSYGGJEVCMIH-AWEZNQCLSA-N 353.426 1.949 70 50 FDIA CC(C)Cc1cc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)nc(=O)[nH]1 216986519 NRKWNXZQOUAACG-HNNXBMFYSA-N 362.474 1.153 70 50 FDIA O=C(Cc1ccc(F)cc1Cl)N1CCCn2nc([C@@H](O)CO)cc2C1 217604220 PZWUMNDHHRIESJ-INIZCTEOSA-N 367.808 1.676 70 50 FDIA CN1CCCN(C)C2(CCN(C(=O)Cc3ccc(N(C)C)cc3)CC2)C1 216982311 BLOVMENUEIJQGH-UHFFFAOYSA-N 358.530 1.924 70 50 FDIA C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cccc(N3CCNC3=O)c1)C2 217723379 XTGVAFKHADLKEN-LBPRGKRZSA-N 355.398 1.122 70 50 FDIA Cc1n[nH]c(SCCNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)n1 218058824 OEXGDBBUVJSSBW-LLVKDONJSA-N 363.418 1.514 70 50 FDIA CN1C[C@@]2(CCCN(C(=O)CN3CCc4ccccc4C3)CC2)OC1=O 217944511 JEOUHODVMORVFX-FQEVSTJZSA-N 357.454 1.878 70 50 FDIA NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)Cc2ccc(O)cc2)cc1 218713416 AVAUSVVMAVYJJE-QZTJIDSGSA-N 370.405 1.386 70 50 FDIA CC(C)Cc1cc(C(=O)NCc2ccc(-n3cncn3)cc2)nc(N)n1 217018875 UGEIUZKLKNAGLP-UHFFFAOYSA-N 351.414 1.768 70 50 FDIA CCOc1ccc(C(=O)N2CCn3nc([C@H](O)c4nccn4C)cc3C2)o1 218385566 LUIZZGBWBLKQGI-INIZCTEOSA-N 371.397 1.346 70 50 FDIA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cccc(Cl)c1F)C2 216695848 DZQUBIGBGCFLEF-KGLIPLIRSA-N 367.852 1.990 70 50 FDIA CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 217815121 ABAAFLWLAVXCCK-VHDGCEQUSA-N 362.426 1.287 70 50 FDIA O=C(CSc1ccc2nncn2n1)NC[C@@H]1CCCN2CCCC[C@H]12 217706211 IQYHRAAYCWUGME-UONOGXRCSA-N 360.487 1.597 70 50 FDIA biogenic NC(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Oc2ccccc2)o1 218686073 QMTQAUIWJYPGDP-UKRRQHHQSA-N 360.366 1.461 70 50 FDIA Cn1cc(C(=O)c2cc(F)ccc2OS(=O)(=O)F)cc(C#N)c1=O 1875374360 LXYREOVBKHZAGA-UHFFFAOYSA-N 354.290 1.220 70 50 FDIA CC1(C)NC(=O)N(CC(=O)NCCCCCc2nc3ccccc3[nH]2)C1=O 218147868 VGVZYGFQEROMHL-UHFFFAOYSA-N 371.441 1.722 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCc1n[nH]c3c1CCCC3)C2 217207103 MMBULCBJWPRNLJ-CYBMUJFWSA-N 357.458 1.903 70 50 FDIA CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCc1cccnc1)C2 218350145 ZTEOJFWUZJPEFI-GOSISDBHSA-N 357.458 1.238 70 50 FDIA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1c(F)cccc1Cl 218226211 KWQYFPBULNBWOP-MRVPVSSYSA-N 369.780 1.608 70 50 FDIA O=C(C1CCN(Cc2ccco2)CC1)N1CCCn2nc(CO)cc2C1 217470520 HDCSFAXVJHBZIG-UHFFFAOYSA-N 358.442 1.613 70 50 FDIA Cc1cc(C)c(CN2CC[C@H](CO)[C@H](O)C2)cc1CN1CCN(C)CC1 217215858 HWOVIAQZPNMMPX-WIYYLYMNSA-N 361.530 1.226 70 50 FDIA C[C@H](O)c1cc2n(n1)CCN(CCN1CCN(c3ccccc3)CC1)C2 217929578 DXCUKSZGQODVEW-KRWDZBQOSA-N 355.486 1.574 70 50 FDIA Cc1cnn(C)c1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 218554771 NZCBEIVUTZAQQP-HZPDHXFCSA-N 365.455 1.381 70 50 FDIA O=C1CCN(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)CCN1 217522636 GTUUEEDUPUXEGP-UHFFFAOYSA-N 363.845 1.541 70 50 FDIA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCn1ccnc1C 218477439 MDNRGFWNQOYYAR-INIZCTEOSA-N 358.442 1.579 70 50 FDIA Cn1cc(C(=O)OC(C)(C)C)c(N)c1C(=O)On1nnc2ccccc21 199491391 NQVITOLSKXXURX-UHFFFAOYSA-N 357.370 1.576 70 50 FDIA CNC(=O)c1cccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)c1 217776177 INKBZZVHSGFYFU-HNNXBMFYSA-N 366.377 1.126 70 50 FDIA biogenic Cc1cc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)ccc1F 218158013 PSHBSROABSAQSZ-QGZVFWFLSA-N 367.446 1.424 70 50 FDIA CN1CCC(C(=O)N2CCN(Cc3nnc[nH]3)CC2)(c2ccccc2)CC1 217765492 RBTJYAJLGYKUNU-UHFFFAOYSA-N 368.485 1.113 70 50 FDIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc3c([nH]c1=O)CCCC3)C2 217740164 KIIQCRDTUYJYTK-LBPRGKRZSA-N 356.426 1.550 70 50 FDIA O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1n[nH]c2ccccc12 216912169 YERLEEJEGVGXMD-KRWDZBQOSA-N 351.410 1.761 70 50 FDIA COc1ccc2[nH]c(=O)c([C@H](CC(N)=O)c3oc(C)cc(=O)c3O)cc2c1 217643554 FRAMFYITZPWNQZ-LBPRGKRZSA-N 370.361 1.511 70 50 FDIA biogenic O=C(Cc1ccc2c(c1)OCO2)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 218282985 PKTUJLFODXNOJS-BRWVUGGUSA-N 354.406 1.851 70 50 FDIA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(C(=O)Cc1ccc(F)cc1)C2 218455283 ZIUPJTDGVKGCIO-SFHVURJKSA-N 369.400 1.422 70 50 FDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CC[C@@H](n2cncn2)C1 1875387946 GSLFCQNTNOJZIP-LLVKDONJSA-N 355.351 1.350 70 50 FDIA O=C(c1ccccc1N1CCOCC1)N1CCCO[C@H](Cn2cccn2)C1 217347030 ZUGPAAFBBGJTQR-KRWDZBQOSA-N 370.453 1.651 70 50 FDIA CC[C@H](O)c1cc2n(n1)CCN(C(=O)CCn1nnc3ccccc31)C2 217145892 QHFXMXNSKRNDBZ-KRWDZBQOSA-N 354.414 1.504 70 50 FDIA Cc1cccnc1NC(=O)COc1coc(CN2CCOCC2)cc1=O 218382578 HJCRWYSWBSXWDG-UHFFFAOYSA-N 359.382 1.193 70 50 FDIA O=C(CN1CCC[C@H](O)C1)NCCCc1nc2cc(Cl)ccc2[nH]1 218699734 NWWVUFREQUZZQV-ZDUSSCGKSA-N 350.850 1.722 70 50 FDIA CCc1nc(C)ccc1OCC(=O)NCc1nc(-c2cnccn2)n[nH]1 217144866 XXHRKKDVEKJPBN-UHFFFAOYSA-N 353.386 1.223 70 50 FDIA Cc1nc2ncccn2c1C(=O)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 217998847 MRAVCEMDHLVSKP-FVQBIDKESA-N 351.410 1.545 70 50 FDIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(O)c(OC)c1 217646376 BLMKBQLWHZMFQB-SNVBAGLBSA-N 359.334 1.707 70 50 FDIA biogenic CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1cccc(F)c1F)C2 218535872 WYGPNFNZRZWWBX-HNNXBMFYSA-N 371.409 1.255 70 50 FDIA Cc1cc(C)n2nc(CC(=O)N3CCc4[nH]nc(C(C)C)c4C3)nc2n1 218665616 BEDSABVVEKYKBD-UHFFFAOYSA-N 353.430 1.715 70 50 FDIA COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCCN(C)C)C=C2 217752032 YFBSSKZIRQNFDL-UHFFFAOYSA-N 361.442 1.127 70 50 FDIA biogenic CNC(=O)[C@H]1CC[C@@](C)(C(=O)NCCSc2nncn2C)C1(C)C 217022026 UKMKILOYJXAGAX-BZNIZROVSA-N 353.492 1.212 70 50 FDIA O=C(C1=Cc2ccccc2OC=C1)N1CCn2nc([C@@H](O)CO)cc2C1 217359475 FOELKYHZBKJMBM-KRWDZBQOSA-N 353.378 1.241 70 50 FDIA Cc1cc(CN2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)ccc1F 218157919 PSHBSROABSAQSZ-KRWDZBQOSA-N 367.446 1.424 70 50 FDIA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)CSc1nnc(N)s1 217668478 SCOVUEDHYCCWKW-ZDUSSCGKSA-N 363.512 1.728 70 50 FDIA O=C(CCn1cnnn1)N1CCCN(c2nc3ccccc3s2)CC1 216915431 COLLNJAVDJXBHX-UHFFFAOYSA-N 357.443 1.412 70 50 FDIA CCc1c(C)nn(CC(=O)N2CCN(c3ccc4nccn4n3)CC2)c1C 218019092 XKROKCGYZJVVQA-UHFFFAOYSA-N 367.457 1.454 70 50 FDIA O=C(Cn1ccc(=O)cc1)N1CCC(N2CCc3ccccc3C2)CC1 218704527 QZHYOIDFRCAFGJ-UHFFFAOYSA-N 351.450 1.898 70 50 FDIA NC(=O)c1cc(F)cc(C(=O)Nc2cncc(OS(=O)(=O)F)c2)c1 1875387405 GJYSGGXTWSJQJM-UHFFFAOYSA-N 357.294 1.165 70 50 FDIA CSc1ccc(CC(=O)N2CCN(c3ccnc4nncn34)CC2)cc1 217874306 DIUZPFQQSOMRKR-UHFFFAOYSA-N 368.466 1.738 70 50 FDIA NCCNC(=O)[C@H]1CCCN(c2ncc(Cl)cc2Br)C1 159661809 OYNMBFGSUFWMNP-VIFPVBQESA-N 361.671 1.789 70 50 FDIA CCn1nccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 218325167 NMYDKXZMENCYSV-HZPDHXFCSA-N 365.455 1.556 70 50 FDIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1cccc2nccnc12 217840253 VUDOTCNAFGBOAJ-LLVKDONJSA-N 365.345 1.936 70 50 FDIA biogenic CN(CC(=O)NC[C@@H]1CC(=O)N(C)c2ccccc21)Cc1ccccn1 217540964 IXKIXMNJCXWDNY-HNNXBMFYSA-N 352.438 1.780 70 50 FDIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc2nccnc2c1 217596208 CTUIRPYITBQQEJ-NSHDSACASA-N 365.345 1.936 70 50 FDIA biogenic CCOc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 218728117 MHLSWSNZFCNGMW-IAGOWNOFSA-N 357.410 1.979 70 50 FDIA Cc1nccn1CCCC(=O)N1C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C1 216822639 IDZTWRDFCCZBMY-CABCVRRESA-N 356.492 1.004 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCCN(CC(=O)N1CCOc3ccccc31)C2 217922965 HVSKXBKDMUSDND-CQSZACIVSA-N 356.426 1.568 70 50 FDIA CC(C)c1cc(C(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)nc(N)n1 217557688 USIWNXYNNNUMAH-UHFFFAOYSA-N 371.416 1.806 70 50 FDIA Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCc2nnc3n2CCCCC3)n1 218640167 PVWMRGYQHOJSBW-NSHDSACASA-N 362.459 1.193 70 50 FDIA O=C(NCCc1noc(C(F)(F)F)n1)c1cccc(N2CCOCC2)c1 217105094 MOAGFTURDTXZTB-UHFFFAOYSA-N 370.331 1.898 70 50 FDIA O=C(CN1CCOc2ccccc2C1)NCCc1noc(C(F)(F)F)n1 217637948 GENDDUHFFBLRFN-UHFFFAOYSA-N 370.331 1.642 70 50 FDIA CC1=C(C(=O)NCCn2ncc3ccccc3c2=O)SC2=NCCN21 218156873 YRNWHFBOESICDX-UHFFFAOYSA-N 355.423 1.163 70 50 FDIA CC(C)c1ncc(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)s1 161426665 LCNCSZJAIRBSNH-UHFFFAOYSA-N 360.439 1.553 70 50 FDIA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1c(C)nc3sccn13)C2 216852421 HNIAMULZUBWORT-OLZOCXBDSA-N 362.455 1.414 70 50 FDIA CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCCc1ccncc1 218285772 ZOVGUFOZOWENSC-UHFFFAOYSA-N 372.450 1.767 70 50 FDIA CC[C@H](O)c1cc2n(n1)CCN(C(=O)CN1CCc3ccccc3C1)C2 217142314 LXVUCHTWNWBDSQ-IBGZPJMESA-N 354.454 1.727 70 50 FDIA C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)Cc1cccc(N(C)C)c1 159783686 CFVKYKGSVJIEML-YOEHRIQHSA-N 367.515 1.218 70 50 FDIA CC(C)[C@@H]1C(=O)NCCN1Cc1ccccc1OCCN1CCOCC1 218687755 LGRBNQVZVLFXKG-LJQANCHMSA-N 361.486 1.354 70 50 FDIA Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 159905235 RFJVNIFVONSFTA-MRVPVSSYSA-N 350.400 1.371 70 50 FDIA CNC[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 161374688 NTKIWOFTRNGAKI-NSHDSACASA-N 350.362 1.804 70 50 FDIA O=C(Cn1cnc2ccsc2c1=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 218405678 OJXDQOPOYXMBAK-OZVIIMIRSA-N 370.434 1.481 70 50 FDIA O=C(N=c1cc(-c2cccs2)o[nH]1)NC1CCN(S(=O)(=O)F)CC1 2325890192 SXFPJCGUWGKPEB-UHFFFAOYSA-N 374.419 1.625 70 50 FDIA COCCCNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 217649295 VYSVDBLANRYWPF-INIZCTEOSA-N 372.425 1.174 70 50 FDIA biogenic COCCc1noc([C@@H]2CCCCN2C(=O)c2ccc3[nH]nnc3c2)n1 218691067 LGRRXSWJWYMDLE-AWEZNQCLSA-N 356.386 1.897 70 50 FDIA COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCc3ccncc3)C2=O)cc1 217782027 YEVIRXHOZLOGKA-INIZCTEOSA-N 368.393 1.217 70 50 FDIA biogenic CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)Cc1ccc(F)cc1Cl 218462643 FVZSRTAMYMAYJJ-CABCVRRESA-N 372.824 1.400 70 50 FDIA Cc1n[nH]c(SCCNC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)n1 218218338 DENAEVCVYPKXKP-VIFPVBQESA-N 350.400 1.518 70 50 FDIA O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1ccc2[nH]c(CO)nc2c1 217993358 FNYVYQDBMWVUIM-NVXWUHKLSA-N 359.426 1.759 70 50 FDIA CC[C@]1(O)C(=O)N(c2cccc(C(=O)N[C@H](C)c3ncnn3C)c2)N=C1C 218045542 BQWUKZPSUQCHFJ-ADLMAVQZSA-N 370.413 1.170 70 50 FDIA CCc1ccc(CN(C)C(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)nc1 218436035 CULAHVIYEDBMBJ-INIZCTEOSA-N 353.488 1.111 70 50 FDIA CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)c1c[nH]nc1-n1cnnn1 217646434 KWAAMYNJZUMNGW-GOSISDBHSA-N 351.414 1.825 70 50 FDIA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(F)c(F)c1 218280001 SAQSFDKXBFFXHB-VIFPVBQESA-N 353.325 1.094 70 50 FDIA C[C@H]1Oc2ccc(C(=O)C3CCN(S(=O)(=O)F)CC3)cc2NC1=O 1875374073 ZNCYQGNSLYPWMJ-SECBINFHSA-N 356.375 1.515 70 50 FDIA CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(F)c(F)c1)C2 218029225 QXGKDWVOTLGQED-QGZVFWFLSA-N 364.396 1.689 70 50 FDIA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCc1ccc(F)cc1F)C2 216953747 WEPSYCRFBXVJTD-ZBFHGGJFSA-N 366.408 1.993 70 50 FDIA Cc1c(CNC(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)oc2ccccc12 218686559 UZIVILPHTWZPNC-AWEZNQCLSA-N 364.467 1.866 70 50 FDIA CSCC[C@@H](CO)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 218201382 RNJZYNBGHSONFO-LBPRGKRZSA-N 358.895 1.577 70 50 FDIA Nc1nc2c(c(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)n1)CCCC2 218526146 CZRMEQBNTQFRHN-MKBNYLNASA-N 353.426 1.575 70 50 FDIA O=C(CN1CCCCCC1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 218157161 AJZRMDHUIYYGGL-RTBURBONSA-N 362.470 1.707 70 50 FDIA Cn1c(CO)nnc1[C@H]1CCCN(C(=O)c2cc(-c3ccsc3)n[nH]2)C1 217161792 VSILWERFHCNFJW-NSHDSACASA-N 372.454 1.779 70 50 FDIA CCCN1C(=O)[C@@H]2CC[C@H]1CN(S(=O)(=O)c1ccc(F)cc1F)C2 216844542 PPQAPBSGRWEUHM-YPMHNXCESA-N 358.410 1.986 70 50 FDIA CCCN1CCC(N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)CC1 218253139 UIWBAJOIVWFJBE-FQEVSTJZSA-N 372.517 1.778 70 50 FDIA CSCCC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1c(C)noc1C 216872653 OMMOICAABUVJMV-KGLIPLIRSA-N 351.472 1.994 70 50 FDIA Cn1cc([C@@H](Nc2cncc(C(=O)N3CCCC3)n2)[C@H]2C[C@H](O)C2)cn1 218427592 ZHQMTELCGNWWSZ-QEORTHHSSA-N 356.430 1.370 70 50 FDIA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1sccc1S(N)(=O)=O 217812933 NBRIXNNEPNMFRU-UHFFFAOYSA-N 368.415 1.683 70 50 FDIA CC(=O)c1cc(CN2CCCn3nc([C@@H](O)CN(C)C)cc3C2)n(C)c1 218735796 URDKWRMHKODORQ-IBGZPJMESA-N 359.474 1.425 70 50 FDIA O=C(NC1CCN(c2cccnn2)CC1)c1ccc(S(=O)(=O)F)cc1 864241156 LWIOEHAJBIWQCR-UHFFFAOYSA-N 364.402 1.534 70 50 FDIA Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cccc(F)c1)C2 218708560 PWFXIABEEADTGQ-SFHVURJKSA-N 369.400 1.884 70 50 FDIA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(SC)cc1 218321718 WAQVIXPVGHULDH-LBPRGKRZSA-N 363.439 1.538 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCN(CCC(=O)Nc1nnc(C3CC3)s1)C2 217915542 JEXRURSFMXWZQB-SNVBAGLBSA-N 362.459 1.510 70 50 FDIA Cc1cc(C)n(CCC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c(=O)n1 218767933 GEFFNUROXDJKHE-AITUJVMLSA-N 359.470 1.960 70 50 FDIA O=C(CCCc1nc(-c2cccnc2)no1)N1CCC(n2cnnc2)CC1 218487474 NWJLMIXTXURNFO-UHFFFAOYSA-N 367.413 1.910 70 50 FDIA Cc1cc(F)ccc1S(=O)(=O)NCC(=O)NCCCc1ccccn1 218075330 XWIYGINXUGLEFG-UHFFFAOYSA-N 365.430 1.556 70 50 FDIA Cc1cc(N2CCN(C(=O)CCCOc3ccccc3)CC2)nc(N)n1 218676237 YNZNCQHEJMAGPY-UHFFFAOYSA-N 355.442 1.875 70 50 FDIA CSCC[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 218323876 NDPVCBWVCXOXCN-LBPRGKRZSA-N 363.439 1.692 70 50 FDIA CCc1ccc(C(=O)N[C@H]2C[C@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)[nH]1 218352478 QUWOTNXZJYLONE-CFVMTHIKSA-N 355.442 1.614 70 50 FDIA CN1C[C@]2(CCN(C(=O)CN3CCC(c4ccccc4)CC3)C2)OC1=O 217391427 AOXYZISJXRTROC-FQEVSTJZSA-N 357.454 1.919 70 50 FDIA COc1nccnc1N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1c(C)noc1C 216761417 PIOLIKKZVQBLON-KGLIPLIRSA-N 357.414 1.717 70 50 FDIA CN(CC(=O)N[C@@H]1COCC[C@@H]1Oc1ccccc1)Cc1ccncc1 218745681 KZJYOSFSTFLAGX-MOPGFXCFSA-N 355.438 1.866 70 50 FDIA CN1CCN(C[C@@H]2CCCN(C(=O)Cc3ccc(N(C)C)cc3)C2)CC1 217199885 LHSWBUKUGFYKDS-IBGZPJMESA-N 358.530 1.781 70 50 FDIA COc1ccc([C@H](O)C(=O)N2CCC(CO)(CN3CCCC3)CC2)cc1 218004361 QYYZDAINMQMYBN-SFHVURJKSA-N 362.470 1.426 70 50 FDIA COC(=O)C[C@@H](CC(C)C)c1oc(CN2CCOCC2)cc(=O)c1O 217773454 GOTZJHJGFFQCLV-CYBMUJFWSA-N 353.415 1.870 70 50 FDIA biogenic O=C(c1nc2ccccc2c(=O)[nH]1)N1CCCN(Cc2cccnc2)CC1 217803689 KYJZHSYNLYABCK-UHFFFAOYSA-N 363.421 1.666 70 50 FDIA O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1ccc(-n2cnnc2)cc1 218072512 LPCMKRLDWMTKHU-IAGOWNOFSA-N 365.393 1.629 70 50 FDIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1c[nH]c2cc(C)nn2c1=O 218355319 KCVYVSWWISMVIZ-CABCVRRESA-N 360.414 1.201 70 50 FDIA Cc1n[nH]c(SCCNC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)n1 218218269 DENAEVCVYPKXKP-SECBINFHSA-N 350.400 1.518 70 50 FDIA O=C(CCc1nc(Cl)n[nH]1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 218081444 FIGORPQABHXYFP-GHMZBOCLSA-N 351.794 1.138 70 50 FDIA Cc1nnc(SCC(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)s1 218310859 BAOTWVWVPQVCOE-VXGBXAGGSA-N 366.468 1.686 70 50 FDIA CC(C)C[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1nnc2ccccn12 218241963 UMZHNRKVNWMOGD-LBPRGKRZSA-N 372.429 1.263 70 50 FDIA CN(CC(=O)N1CCCC[C@@H]1CN1CCOCC1)Cc1ccccc1F 218181399 FAHPNCXSVLQZBE-GOSISDBHSA-N 363.477 1.971 70 50 FDIA CCc1nc2n(n1)C[C@H](NC(=O)c1cnn(-c3ccc(F)cc3)n1)CC2 160699069 ISKCTOWIHMQCIV-GFCCVEGCSA-N 355.377 1.305 70 50 FDIA CNS(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCCc3c2cnn3C)co1 161223058 RFBSFICICWAJJP-LBPRGKRZSA-N 352.416 1.071 70 50 FDIA COCCn1c(C)cc(C)c(C(=O)NCCn2cnc3ccccc32)c1=O 218454416 LLPXARONLQNKJU-UHFFFAOYSA-N 368.437 1.891 70 50 FDIA CCOc1ccccc1C(=O)N1CC[C@@H]2CN(CCN3CCOCC3)C[C@@H]21 216709596 IAXHBRQZDJGUKN-MJGOQNOKSA-N 373.497 1.564 70 50 FDIA CN1CCC(N(C)CC(=O)NCCc2nccc(-c3ccccc3)n2)CC1 218705530 JYTJABJFIYKNJA-UHFFFAOYSA-N 367.497 1.828 70 50 FDIA C[C@H](O)c1cc2n(n1)CCN(C(=O)C1(N3CCOCC3)CCCCC1)C2 216969038 XLAMGSLWDHEWAB-HNNXBMFYSA-N 362.474 1.314 70 50 FDIA C[C@@H](Cn1cncn1)NC(=O)c1cnc(SCc2ccccc2)nc1O 218390941 SXDGBHDIAJAMLQ-LBPRGKRZSA-N 370.438 1.885 70 50 FDIA O=C(CN1CCCCCC1=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218592794 PDUDFFHNICUQAF-BPZDKFOGSA-N 372.465 1.952 70 50 FDIA Cc1ccn2c(F)c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)nc2c1 218782999 VMCLWXKYZAHGHI-JWZBEHFJSA-N 358.417 1.763 70 50 FDIA COCCNc1nc2cc(C(=O)NCCc3c(C)n[nH]c3C)ccc2n1C 217656266 FGQCLZAATJQBDH-UHFFFAOYSA-N 370.457 1.944 70 50 FDIA CCCN1C(=O)N[C@H](CC(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)C1=O 217603894 LAITZNDKCYWUJD-CYBMUJFWSA-N 361.377 1.381 70 50 FDIA C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)Cc1cccc(N(C)C)c1 159783430 CFVKYKGSVJIEML-WMLDXEAASA-N 367.515 1.218 70 50 FDIA COc1cccc(N2C[C@@H](C(=O)N[C@H](CO)CCSC)CC2=O)c1 218214759 XELSIPVNZSBHCM-STQMWFEESA-N 352.456 1.278 70 50 FDIA Cc1cc(S(N)(=O)=O)cc(NC(=O)c2cccc(-n3ccnn3)c2)c1C 159594119 OPLPSXBQWIQKOL-UHFFFAOYSA-N 371.422 1.784 70 50 FDIA Cc1nc2ccccc2n1CCNC(=O)CN1C(=O)CC2(CCCC2)C1=O 218155837 QRNRXPLZYVKZMH-UHFFFAOYSA-N 368.437 1.780 70 50 FDIA COCc1noc(CCNC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)n1 218595251 QEKXFGGHBOMUTF-NSHDSACASA-N 362.361 1.067 70 50 FDIA CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccc(F)cc1F)C2 218241090 OZCXKLMBSOMTBB-KRWDZBQOSA-N 364.396 1.689 70 50 FDIA O=C(Cc1ccc(F)cc1Cl)N1CCCn2nc([C@H](O)CO)cc2C1 217604312 PZWUMNDHHRIESJ-MRXNPFEDSA-N 367.808 1.676 70 50 FDIA Cc1ncsc1CCCNC(=O)[C@H](Cc1ccccc1)n1cnnn1 218366714 RHPHUUFWUVWORY-HNNXBMFYSA-N 356.455 1.971 70 50 FDIA Cn1nnc(-c2ccc(OCC(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)n1 218598808 DFIUOSSJUJNXCG-UHFFFAOYSA-N 372.473 1.681 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc3c([nH]c1=O)CCCC3)C2 217740083 KIIQCRDTUYJYTK-GFCCVEGCSA-N 356.426 1.550 70 50 FDIA COc1cc2nc(C)n(CC(=O)Nc3cc(C)n(C)n3)c(=O)c2cc1OC 218388353 UZHVNRSQCFKKAA-UHFFFAOYSA-N 371.397 1.403 70 50 FDIA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccco2)n[nH]1 217927546 OQSXGAPHLNHTRL-NSHDSACASA-N 366.337 1.144 70 50 FDIA biogenic CS(=O)(=O)c1ccc(CC(=O)NCc2nnc(-c3ccccc3)o2)cc1 217763404 BUMLSUQZLJMQKV-UHFFFAOYSA-N 371.418 1.999 70 50 FDIA CCc1nc2n(n1)C[C@@H](NC(=O)c1cnn(-c3ccc(F)cc3)n1)CC2 160699165 ISKCTOWIHMQCIV-LBPRGKRZSA-N 355.377 1.305 70 50 FDIA O=C(CCN1CCCCCC1=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 218571985 BFIDBZQOFPNSKN-HZPDHXFCSA-N 361.442 1.527 70 50 FDIA Nc1ccsc1C(=O)N[C@H]1C[C@H](c2cc(N3CC[C@H](O)C3)ncn2)C1 218030919 DRZWHXQHIORFSF-TUAOUCFPSA-N 359.455 1.367 70 50 FDIA COc1cc2nc(C)n(CC(=O)Nc3ccncc3)c(=O)c2cc1OC 218160948 DKJQFTHIGZZSED-UHFFFAOYSA-N 354.366 1.756 70 50 FDIA O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ccc2[nH]nnc2c1 218277753 HQUQHZYUVMCDNT-IAGOWNOFSA-N 353.382 1.457 70 50 FDIA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(C(=O)CCC(F)(F)F)C2 218070827 RDEFDLJWVFMENV-ZDUSSCGKSA-N 357.336 1.383 70 50 FDIA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H]1c1ccccn1 217623390 CNMAKNBDSBBADA-HNNXBMFYSA-N 361.423 1.715 70 50 FDIA CCC(CC)(CN)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 161279301 QTQLSWYLWJVBDB-UHFFFAOYSA-N 360.502 1.607 70 50 FDIA O=C(Cn1ccc(=O)[nH]c1=O)NCc1cc(COc2ccccc2)cs1 217417873 GTEACKNOOOTKHD-UHFFFAOYSA-N 371.418 1.494 70 50 FDIA O=[N+]([O-])c1ncc(N2CC[C@@H](S(=O)(=O)F)C2)cc1Br 2325891808 ZRJMPDRAAWWFFZ-SSDOTTSWSA-N 354.157 1.630 70 50 FDIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)C1CCN(c2ccc(=O)[nH]n2)CC1 217607552 ULHDWCGRINKQLP-DLBZAZTESA-N 373.501 1.367 70 50 FDIA biogenic O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)Cn1nnc(-c2ccccc2)n1 160545206 HHRSYOBEMYBAPD-CVEARBPZSA-N 369.425 1.327 70 50 FDIA Cc1cc(C)cc(N2CCN(c3cc(C4CC(N)C4)nc(N)n3)CC2=O)c1 218139859 MTNIXKYDPFWLCX-UHFFFAOYSA-N 366.469 1.734 70 50 FDIA Cc1n[nH]c([C@@H]2CCCN(C(=O)CN3CCOc4ccccc4C3)C2)n1 217808369 YYTLPDFJNLGYSW-MRXNPFEDSA-N 355.442 1.714 70 50 FDIA O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CCCN(c2cnccn2)C1 217796784 QSWPPWCUQYMTQR-CYBMUJFWSA-N 353.382 1.170 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCc1nc3cc(F)ccc3[nH]1)C2 218367308 VFULBBMOZYBZDW-LLVKDONJSA-N 357.389 1.927 70 50 FDIA CCn1nc(C)cc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1 218162806 FCEUKIFARVHIFQ-NVXWUHKLSA-N 372.425 1.277 70 50 FDIA CCCC(=O)N1CCN(CCc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 216668240 KNNBSBIXBSHYND-SJORKVTESA-N 350.484 1.339 70 50 FDIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc2nccnc2c1 217596119 CTUIRPYITBQQEJ-LLVKDONJSA-N 365.345 1.936 70 50 FDIA biogenic Cc1c(C(=O)N2CCCn3nc([C@H](C)O)cc3C2)sc2nc[nH]c(=O)c12 216942269 QYKZLTNKJRHDCI-JTQLQIEISA-N 373.438 1.589 70 50 FDIA Cc1cc(C)n(CCNC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)n1 218173241 MRLCXRIVSZFLQI-INIZCTEOSA-N 369.425 1.127 70 50 FDIA O=C(CC1(n2cccc2)CCOCC1)NCCc1nnc2ccccn12 218326585 LRQAETKMJWRMBS-UHFFFAOYSA-N 353.426 1.786 70 50 FDIA O=C(CC1=CSC2=NCCCN12)N1CCC(O)(c2cccnc2)CC1 218278052 HHPLIIMBYKVOQD-UHFFFAOYSA-N 358.467 1.932 70 50 FDIA COc1ccccc1N1C[C@H](C(=O)N[C@H](CO)CCSC)CC1=O 218212495 XXDMNLOLXLYKJE-OLZOCXBDSA-N 352.456 1.278 70 50 FDIA Cc1cc(C(=O)NCc2cnn3cccnc23)ccc1N1CCOCC1 218013857 WOYDJTDEQSNTRA-UHFFFAOYSA-N 351.410 1.804 70 50 FDIA Cc1nc(O)nc(C)c1CCC(=O)N1CCCN(Cc2cccnc2)CC1 217515471 PTFNPHXGXLBZCG-UHFFFAOYSA-N 369.469 1.861 70 50 FDIA Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)c2cc(-c3ccsc3)n[nH]2)C1 217161780 VSILWERFHCNFJW-LLVKDONJSA-N 372.454 1.779 70 50 FDIA Cc1ncn(CCNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)c1C 218049523 XXCMJZGARBVEFS-LJQANCHMSA-N 356.470 1.907 70 50 FDIA CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)Cn2ccc3ccccc32)C1 218745006 GJYHWEOUYPMULE-SHTZXODSSA-N 353.426 1.807 70 50 FDIA O=C(Cc1cccs1)N[C@H]1C[C@@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1 218113759 BEHSRTDTZOQVQN-MGPQQGTHSA-N 358.467 1.714 70 50 FDIA Cc1nc(CC(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)cs1 218586181 GLKYRRNUIDVDQH-INIZCTEOSA-N 363.487 1.218 70 50 FDIA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC1(c2ccccc2)CCOCC1 217423349 NPHGQWRKJJOIPX-SFHVURJKSA-N 370.453 1.322 70 50 FDIA Cn1cnc(-c2ccc(NC(=O)N3CC[C@H](N4CCOCC4)C3)cc2)n1 160918781 MCSUDENBDYTDKP-INIZCTEOSA-N 356.430 1.421 70 50 FDIA COCCc1noc([C@H]2CCCCN2C(=O)c2n[nH]c(N)c2Cl)n1 218362012 DWPVZROGICUWCH-MRVPVSSYSA-N 354.798 1.585 70 50 FDIA O=C(NCc1nc(-c2cnccn2)n[nH]1)C1CCN(Cc2ccco2)CC1 217957152 LFEPSSZMMLGDHS-UHFFFAOYSA-N 367.413 1.383 70 50 FDIA Cc1nc([C@H]2CCCN(C(=O)CN3CCOc4ccccc4C3)C2)no1 217151481 POXHHPMKOJYMMO-INIZCTEOSA-N 356.426 1.979 70 50 FDIA Cc1ccc2c(c1)c(CNC(=O)[C@H](c1ccccc1)n1cnnn1)nn2C 218021924 VWRSQUBCYKYJBI-SFHVURJKSA-N 361.409 1.774 70 50 FDIA O=C(COc1cccc(C(=O)N2CCN3CCC[C@H]3C2)c1)N1CCCCC1 217026086 VYOPEWBLMUVZLL-SFHVURJKSA-N 371.481 1.998 70 50 FDIA COc1ccccc1CCNC(=O)CN1CCn2nc([C@H](C)O)cc2C1 217441626 WEAMYPXNTXMGJC-AWEZNQCLSA-N 358.442 1.120 70 50 FDIA CN(C)Cc1nnc([C@H]2C[C@H](NC(=O)c3n[nH]c4c3CCCC4)C2)n1C 218455551 JDSKSMPVZVJMGU-TXEJJXNPSA-N 357.462 1.155 70 50 FDIA Cc1ccc2oc(=O)n(CCC(=O)NCCc3nc(C)cc(=O)[nH]3)c2c1 217992312 QNLUNRDBCMINEY-UHFFFAOYSA-N 356.382 1.044 70 50 FDIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(-c3nnn(C)n3)cc1)C2 218006831 WJLLKJGCHZGINC-LBPRGKRZSA-N 367.413 1.173 70 50 FDIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCCn1ccnc1 218597291 SSLGGIDUIXSTJW-MRXNPFEDSA-N 358.442 1.661 70 50 FDIA CCCCSCc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)oc1C 217881372 VBRLEHOLGPBMIX-CHWSQXEVSA-N 361.485 1.509 70 50 FDIA CC(C)[C@H]1C(=O)NCCN1Cc1ccccc1OCCN1CCOCC1 218688787 LGRBNQVZVLFXKG-IBGZPJMESA-N 361.486 1.354 70 50 FDIA CC[C@]1(O)C(=O)N(c2cccc(C(=O)N[C@@H](C)c3ncnn3C)c2)N=C1C 218045382 BQWUKZPSUQCHFJ-BBATYDOGSA-N 370.413 1.170 70 50 FDIA CN1CCN(C[C@H]2CCCN(C(=O)Cc3ccc(N(C)C)cc3)C2)CC1 217199891 LHSWBUKUGFYKDS-LJQANCHMSA-N 358.530 1.781 70 50 FDIA Cc1cc(C)n(CCCNC(=O)c2ccccc2N2CCC(=O)NC2=O)n1 217086419 GYYMBVSGLOZVRF-UHFFFAOYSA-N 369.425 1.766 70 50 FDIA O=C(CSc1ncccn1)N1CCCO[C@H](CN2CCCCC2)C1 217891669 GEXCUBCTSGUDRG-OAHLLOKOSA-N 350.488 1.672 70 50 FDIA O=C(CN1CCCCC1=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 218414617 MPGUQSGZAZQGJX-CVEARBPZSA-N 350.390 1.491 70 50 FDIA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cc(Cl)c[nH]c1=O 218585710 FPRIAXCLPYQFKR-CHWSQXEVSA-N 369.830 1.589 70 50 FDIA O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)Cn1nnc(-c2ccccc2)n1 160544800 HHRSYOBEMYBAPD-JKSUJKDBSA-N 369.425 1.327 70 50 FDIA Cc1ccccc1OC[C@@H](O)C(=O)N1CCCN(Cc2cccnc2)CC1 217080727 POFZPDGKNSMIDI-LJQANCHMSA-N 369.465 1.864 70 50 FDIA Cc1n[nH]c(SCCNC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)n1 218058895 OEXGDBBUVJSSBW-NSHDSACASA-N 363.418 1.514 70 50 FDIA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(c1nccc(C(F)(F)F)n1)C2 216649198 IFHGHKSKRMSMIG-MNOVXSKESA-N 371.363 1.011 70 50 FDIA Cc1ccc(S(=O)(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)s1 218764963 XDAPRYNOSAWQIJ-CHWSQXEVSA-N 354.453 1.966 70 50 FDIA O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1nc[nH]n1 218285864 GVCPDGPTVNVSOH-UHFFFAOYSA-N 352.379 1.882 70 50 FDIA C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)Cc1cccc(N(C)C)c1 159783560 CFVKYKGSVJIEML-RHSMWYFYSA-N 367.515 1.218 70 50 FDIA O=C(N[C@H]1CC[C@@H](CS(=O)(=O)F)C1)[C@H]1CC(c2ccccc2)=NO1 2325886012 JJVOOGYEMBMTIG-OSAQELSMSA-N 354.403 1.764 70 50 FDIA O=C1CCN(c2ccccc2C(=O)N2CCO[C@@H]3CCCC[C@H]32)C(=O)N1 218181184 AMZZBOYBKOIROY-HZPDHXFCSA-N 357.410 1.917 70 50 FDIA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1nnc3n1CCCCC3)C2 216923760 SFMKGHVEIWGJTO-HNNXBMFYSA-N 358.446 1.691 70 50 FDIA Cc1nc2ncccn2c1C(=O)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 217998752 MRAVCEMDHLVSKP-BPUTZDHNSA-N 351.410 1.545 70 50 FDIA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1n[nH]c(C2CCC2)n1 217704046 CZUKKDMPNJUXPM-LBPRGKRZSA-N 354.370 1.152 70 50 FDIA biogenic O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1n[nH]c2ccccc12 216912197 YERLEEJEGVGXMD-QGZVFWFLSA-N 351.410 1.761 70 50 FDIA CC(C)CC(=O)N1CCN(Cc2cccs2)[C@@H]2CS(=O)(=O)C[C@@H]21 216683729 FMXNPXNTLBGPRB-CABCVRRESA-N 356.513 1.604 70 50 FDIA C[C@H](O)c1cc2n(n1)CCCN(CC(=O)N1CCOc3ccccc31)C2 217923043 HVSKXBKDMUSDND-AWEZNQCLSA-N 356.426 1.568 70 50 FDIA Cc1ccc2c(c1)c(CNC(=O)[C@@H](c1ccccc1)n1cnnn1)nn2C 218021830 VWRSQUBCYKYJBI-GOSISDBHSA-N 361.409 1.774 70 50 FDIA O=C(c1cnc(Nc2ccccc2)nc1)N1CCn2nc(CO)cc2C1 217917503 SMMAQENZZYXKCS-UHFFFAOYSA-N 350.382 1.565 70 50 FDIA CNc1cc([C@H]2C[C@H](NC(=O)c3sc4nc[nH]c(=O)c4c3C)C2)ncn1 218715033 QJRRBJQKZXMZKW-AOOOYVTPSA-N 370.438 1.801 70 50 FDIA COCCN(CCOC)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382426 AMPZKNNLMNSYBU-UHFFFAOYSA-N 350.368 1.406 70 50 FDIA COc1ccccc1CCNC(=O)CN1CCn2nc([C@@H](C)O)cc2C1 217441542 WEAMYPXNTXMGJC-CQSZACIVSA-N 358.442 1.120 70 50 FDIA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1nc(N)nc3c1CCCC3)C2 217456470 QFZOJFRMRSABDU-OAHLLOKOSA-N 356.430 1.234 70 50 FDIA C[C@H](O)c1cc2n(n1)CCN(C(=O)CCc1nc3cc(F)ccc3[nH]1)C2 218367392 VFULBBMOZYBZDW-NSHDSACASA-N 357.389 1.927 70 50 FDIA COC(=O)C[C@H](c1cccnc1)c1oc(CN2CCOCC2)cc(=O)c1O 217841254 XUJSRGIHZSWGGO-OAHLLOKOSA-N 374.393 1.268 70 50 FDIA biogenic Cc1cccnc1CN1CCN(C(=O)CCN2CCCCCC2=O)CC1 218766984 FBQOYJXXAQHRFP-UHFFFAOYSA-N 358.486 1.827 70 50 FDIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1nc3ccccc3[nH]c1=O)C2 217148853 APVYWTDWDLYOHU-LLVKDONJSA-N 353.382 1.219 70 50 FDIA CNC(=O)c1[nH]nc2c1CN(C(=O)Cc1c(C)[nH]c3ccccc13)CC2 217998936 XYBKQAJNELYEJR-UHFFFAOYSA-N 351.410 1.686 70 50 FDIA COc1ccc(N2C(=O)N[C@@H](CC(=O)NCc3cccn3C)C2=O)cc1 218525925 WMQLLVJXFFQJSE-HNNXBMFYSA-N 356.382 1.165 70 50 FDIA O=C(NCc1nc(-c2cnccn2)n[nH]1)c1ccccc1N1CCOCC1 217720147 RQALFCZRJKJOJB-UHFFFAOYSA-N 365.397 1.028 70 50 FDIA COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)c(C(=O)OC)c[nH]c1=O 218106513 AKTYYWITDSACOY-LBPRGKRZSA-N 361.350 1.571 70 50 FDIA biogenic CCN1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O 218305170 WOGNCANLXZISHA-SJORKVTESA-N 372.469 1.140 70 50 FDIA OCC1(CN2CCCC2)CCN(c2ccc(CN3CCOCC3)cn2)CC1 218513040 GKSGGORUGLILKR-UHFFFAOYSA-N 374.529 1.589 70 50 FDIA O=C(Nc1ccc2nc[nH]c(=O)c2c1)[C@H]1CC(=O)N(Cc2ccco2)C1 218163500 ASYOOYRLITXDPC-NSHDSACASA-N 352.350 1.503 70 50 FDIA C#Cc1cc(OS(=O)(=O)F)cc(C(=O)N2Cc3c[nH]nc3[C@@H](C)C2)c1 1875388225 RUOWVPNANBBUBK-JTQLQIEISA-N 363.370 1.744 70 50 FDIA