smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CNC[C@H]1OCC[C@H]1SC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1C 26838717 BZJJPIGJHVMLPD-PAUJSFGCSA-N 356.444 0.250 0 1 FCAF CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O 39797429 YRRCOJOXAJNSAX-IHRRRGAJSA-N 356.467 0.049 0 1 FCAF biogenic OC[C@@H]1O[C@H](n2cnc3c(/C=C(/O)c4ccccc4)ncnc32)[C@H](O)[C@H]1O 263602432 MHMCIRXDRBTNOZ-DROCXPHFSA-N 370.365 0.494 0 1 FCAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(O)nc(N)nc3[nH]2)cc1 586940700 COVPLUPGZFZIJW-SREVYHEPSA-N 360.399 1.039 0 1 FCAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@@H]4C[C@H]4C3)n2)cn1 653664354 GTPHHKGRYBWHKR-IMIFBBOLSA-N 351.414 0.949 0 1 FCAF Cc1cccc(OCC2(CNC(=O)c3cc(C)nn3C)C[C@H](O)[C@@H](O)C2)n1 2356778133 NHPDVKVITKNENL-HOTGVXAUSA-N 374.441 0.743 0 1 FCAF CCOC(=O)/C=C(\C)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O 13652256 KVSTXNJARPQHCO-ALDWRELFSA-N 372.458 0.797 0 1 FCAF CC(C)O[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H]1OC(C)C 28524832 ZILVDJSDJUEGCF-JDTTZNEISA-N 367.406 0.179 0 1 FCAF C[C@H](O)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H]1COCC1=O 29571032 NKPSVGWTQPJOFL-ISOBSLSZSA-N 362.407 0.465 0 1 FCAF NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 169116474 QAICPHMNUHNDMC-KYPFXXDHSA-N 368.433 0.919 0 1 FCAF in-vitro CC1=NC(=S)N[C@@H](c2cccc(O)c2)[C@H]1C(=O)OCCOCCO 169720101 DUEOROBVBNZKOT-KBPBESRZSA-N 352.412 0.951 0 1 FCAF C[C@H]1CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257494110 NLPBBNGDXNHAJP-GCUJNSOXSA-N 372.458 0.389 0 1 FCAF endogenous,in-man O=S(=O)(NC[C@@H]1OC[C@H](NCc2ccncc2)[C@@H]1O)c1ccccc1 2356718202 NSFBCOMQMAYJAQ-ULQDDVLXSA-N 363.439 0.278 0 1 FCAF O=C(NC[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1N1CCc2ccccc2C1)C1CCCC1 2356820960 FQADGBKIHLKVTJ-MTQWCTHYSA-N 374.481 0.840 0 1 FCAF COC(=O)[C@H]1CN(S(=O)(=O)c2cc(OC)ccc2OC)CCS1 8395050 FKHRCPVDTUWVHO-GFCCVEGCSA-N 361.441 0.983 0 3 FCAF O=C(COc1ccc(Cl)cc1)N[C@H](Cn1cncn1)CP(=O)(O)O 26171172 PFFFHJSPLQDPLU-LLVKDONJSA-N 374.721 0.673 0 1 FCAF CC(C)CNCc1c(C(=O)NCc2ccncc2)nnn1-c1nonc1N 26996828 DOCCTSVVWPLKMA-UHFFFAOYSA-N 371.405 0.303 0 1 FCAF O=C(O)c1cccc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)c1 36380751 TYCGXAHADIYANZ-UHFFFAOYSA-N 357.395 0.926 0 1 FCAF COCCNC(=O)C[C@H]1C=C[C@@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 95675443 PYHXZAPBOUOXMO-RBSFLKMASA-N 355.435 0.065 0 1 FCAF N[C@@H](CN1C=C[C@]2(C(=O)C1)c1c(F)cccc1C[C@@H]1CCCN12)C(=O)O 963097779 HKLPRKJNXYYMQM-RFUYNDQBSA-N 359.401 0.852 0 1 FCAF CC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CNC1 1772641474 JRHHDZOEKMJEPI-UHFFFAOYSA-N 368.445 0.077 0 1 FCAF Cc1ccc(-c2c(C(N)=O)nnn2-c2ccc(S(N)(=O)=O)cc2)cc1 1857767567 AYGFRTJVACTGEO-UHFFFAOYSA-N 357.395 0.989 0 1 FCAF Cn1c(-n2nccn2)nc2c(N)nc(NCCc3ccc(O)cc3)nc21 96907705 GDODELDMHFKBJS-UHFFFAOYSA-N 351.374 0.886 0 1 FCAF N=C(N)NCC(=O)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 653721996 CBWCITVCWONCCC-UHFFFAOYSA-N 351.366 0.492 0 1 FCAF COC(=O)C(C)=C1C(=O)O[C@@]2(C)[C@H]([C@@H]1OC(C)=O)[C@@](C)(CO)[C@H]1C[C@H]12 2356505072 QGQJAIFVPDCYEV-CMRKIBDRSA-N 352.383 0.988 0 1 FCAF CO[C@@H]1C[C@H](OC)[C@H](O[C@H](C[C@H](OC)[C@H](O)[C@@H](C)O)OC)[C@@H](C)O1 2356528809 INKMOJUFSBVXNQ-HVNFFKDJSA-N 352.424 0.287 0 1 FCAF O=C(O)COCC(=O)N1C[C@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356575248 GJVGPQMJAPLTKB-GWCFXTLKSA-N 369.324 0.869 0 1 FCAF CC(C)CN1CC2(C1)C(=O)N(Cc1cccnc1)C(=O)[C@@H]1C[C@H](O)CN12 2356674145 XOFFUEUMBFSQGM-HOTGVXAUSA-N 358.442 0.096 0 1 FCAF O=C1NCCS(=O)(=O)N[C@@H](CC2=CC=CCC2)C(=O)N2CCC[C@@H]12 5600436 DHKPLPGNTJLOOO-KBPBESRZSA-N 353.444 0.062 0 1 FCAF N=C(NCCCc1c[nH]cn1)NCCOc1no[n+]([O-])c1-c1ccccc1 13477400 XBDNCPGLNXSEBR-UHFFFAOYSA-N 371.401 0.824 0 1 FCAF Nc1nc(N2CCCCC2)c2ncn([C@@H]3C[C@@H](O)[C@@H](CO)S3)c2n1 27622700 VJEYMYWPZPTKNZ-MXWKQRLJSA-N 350.448 0.756 0 1 FCAF Nc1ncc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2n1 586946888 REAIGKGOQHFEBY-LLVKDONJSA-N 374.426 1.059 0 1 FCAF COCCNC(=O)[C@H]1CCC[C@@H](NC(=O)C(C)(C)C)CN(C)C(=O)C1 2356315258 HWUBSUNDXRYOLI-UONOGXRCSA-N 355.479 0.929 0 1 FCAF Cc1ccc(N2C(=S)N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(=O)NC4CC4)[C@H]32)cc1 2356855576 REPQCNQEZWYTTL-ZVDSWSACSA-N 361.467 0.447 0 1 FCAF COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(OC)ccc2OC)CCS1 8395049 FKHRCPVDTUWVHO-LBPRGKRZSA-N 361.441 0.983 0 3 FCAF C[C@@H](C(=O)NCCN1CCOCC1)n1c2ccccc2c2cn[nH]c(=O)c21 20416424 NSQIXYJOURYBJQ-ZDUSSCGKSA-N 369.425 0.887 0 1 FCAF CN1Cc2cc(C(=O)NCc3ncc[nH]3)ccc2N[C@@H](CC(=O)O)C1=O 26937710 LCZBUTQADYURRB-ZDUSSCGKSA-N 357.370 0.567 0 1 FCAF Oc1ccc2c3c1O[C@H]1C4(CC[C@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)NN4 253704620 PPIOVCQBGJKBCK-OAOYMFHYSA-N 355.438 0.760 0 1 FCAF COC(=O)c1cccc(NC(=O)C2(N)CCN(c3cc(N)ncn3)CC2)c1 473116283 WLWQRWYWHSJFFX-UHFFFAOYSA-N 370.413 0.782 0 1 FCAF Cc1ccc(CN2CCN(CC(=O)N3CCC(C(N)=O)CC3)C2=O)cc1 4177880 DWKYETZQTXNBTF-UHFFFAOYSA-N 358.442 0.957 0 3 FCAF CN(C)CCN1CCN([C@H]2CN(C3CCCCC3)S(=O)(=O)C2)CC1 95599188 RGMNXOISSNJZQJ-KRWDZBQOSA-N 358.552 0.512 0 3 FCAF CCOC(=O)C1(C(=O)OCC)CC(=O)[C@@]2(C1)OCC[C@H]1OC(=O)C[C@H]12 5851287 WBBOOPQPBSNOKB-AGKHESDQSA-N 354.355 0.553 0 1 FCAF Cc1ccc(C)c(Nc2ncnc3c2ncn3[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 49018903 XCATZSWGRUFVLT-DRRHNWJESA-N 371.397 0.798 0 1 FCAF Cc1cccc(CNc2ncnc3c2ncn3[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 49021703 WBJVJFOITZTVRG-DRRHNWJESA-N 371.397 0.358 0 1 FCAF CC(C)N(C[C@@H]1N[C@@H](CO)[C@H]1c1ccccc1)C(=O)CN1CCOCC1 95895961 TXADMCPTZYKUFW-BJLQDIEVSA-N 361.486 0.672 0 1 FCAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)N1CCOCC1)C2 101505654 ZEALSROZHZHFPF-QKDCVEJESA-N 354.451 0.770 0 1 FCAF CCCOc1cc2c(cc1OCC)[C@@H]1C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1NC2=O 1857545940 KNLABWYBDWXEDW-QUASHMRRSA-N 351.399 0.556 0 1 FCAF CC(C)CNC(=O)C(=O)NCc1ccc(-c2c[nH]cc(C(=O)O)c2=N)o1 1857617297 USMLJGVTJHGLIU-UHFFFAOYSA-N 360.370 0.841 0 1 FCAF CC(C)CC(=O)c1c(O)cc(O)c2c1O[C@]1(C2)OC[C@H](O)[C@H](O)[C@@H]1O 2356618747 GEENITLHYWQDTC-CSFVBSKPSA-N 354.355 0.071 0 1 FCAF O=C(NC1CCCC1)N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO 95599893 XTCBEEUCKKSLMA-ARFHVFGLSA-N 367.446 0.162 0 3 FCAF CC(C)CNCC[C@H]1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O 13733639 HQKIQECHTDDZLM-VIFPVBQESA-N 367.518 0.599 0 1 FCAF Cc1s/c(=N/C(=O)CS(=O)(=O)c2ccccc2)n(O)c1CC(=O)O 40429010 BEHXCWRYSQGYSL-CCEZHUSRSA-N 370.408 0.624 0 1 FCAF COc1cc(CCCO)cc2c1O[C@H](C1=C[C@H](O)[C@H](O)CC1)[C@H]2CO 49781465 RAROOKDBJRIINZ-UIBIWLFHSA-N 350.411 0.899 0 1 FCAF biogenic C[C@H]1COC2=C3C(=C(O)C(C(=O)O)=CN31)CC(F)=C2N1CCN(N)CC1 58639138 XSSSNYCVNIDBIB-VIFPVBQESA-N 364.377 0.789 0 1 FCAF in-vitro CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2CCC(F)(F)F 95879656 AFNQEEWGCRZGFB-DWZYQQQCSA-N 373.375 0.900 0 1 FCAF N[C@H](C(=O)O)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O 1772644107 QMBOREXWXCNQPI-BQBZGAKWSA-N 357.171 0.137 0 1 FCAF CCNC(=O)N1CC[C@@H]2CC(=O)N(CCN3CCOCC3)CC[C@H]2C1 2356313188 UNSFLKZPSKVBAS-CVEARBPZSA-N 352.479 0.609 0 1 FCAF C[C@@H]1[C@@H]2[C@H](O)[C@H](O)C(C)(C)[C@@]23O[C@@]12CC[C@H]1[C@H](O)[C@@]2(C[C@@H]3O)C[C@@]1(C)O 2356607448 VRUPRUIGNCVNKR-BGJOQQKDSA-N 368.470 0.185 0 1 FCAF O=C1c2[nH]cc3c2C2=C4[C@@H]1N[C@H]1C[C@@]45C(=C[C@H](O)[C@@H]([C@H]5O)N2CC3)S1 2356824557 GWBRHAMWIIHNKW-MYAKSENWSA-N 355.419 0.203 0 1 FCAF CC1(C)O[C@@H]2CO[C@@]3(CCCOS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 28766259 MSPFSHSGZZMAJE-PUHVVEEASA-N 367.420 0.385 0 1 FCAF CN1CCN(c2nc3c(c(N)c2N)c(=O)c(C(=O)O)cn3C2CC2)CC1 29409017 FZHSRVFPGRMAPS-UHFFFAOYSA-N 358.402 0.346 0 1 FCAF CC(=O)O[C@@H]1[C@H](C)O[C@H](O)[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@H]1O 2356521166 MDNCGEXTUODPTG-KNKFVVRESA-N 352.339 0.347 0 1 FCAF OC[C@H]1O[C@H](OCc2cccc(-c3cccc(O)c3)c2)[C@@H](O)[C@H](O)[C@@H]1O 95564575 FVAAMYGOZICVQT-QQXKLLMISA-N 362.378 0.376 0 1 FCAF C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C 95856655 WAHUPRWPWKVPJH-DZKIICNBSA-N 353.467 0.364 0 1 FCAF COc1ccc2c(c1OCC(=O)OCCO[N+](=O)[O-])CO[C@@H](C)C2=O 95563108 INZNXUOZWFDWKD-VIFPVBQESA-N 355.299 0.927 0 1 FCAF CCC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccccc2OC)O[C@@H]1CO 95906029 TYONUPOIPWMRQR-YQQAZPJKSA-N 362.426 0.912 0 1 FCAF CCOCCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@H]1n1nc(CC)cc1CC 618013418 YHPNXZSGXYOHGF-OFQRWUPVSA-N 364.450 0.282 0 1 FCAF O=C(N[C@@H](Cc1nc2cnnc(O)c2[nH]1)C(=O)O)OCc1ccccc1 587202840 LULIVINWTDJKGX-JTQLQIEISA-N 357.326 0.981 0 1 FCAF CCOC(=O)c1sc2c(c1C)C(=O)N/C(=C\S(=O)(=O)CC(=O)O)N2 957908181 ZIQWVTIQIYWFEX-QPJJXVBHSA-N 374.396 0.687 0 1 FCAF CC(C)C[C@H](N)C(=O)NC(C)(C)CC(=O)Nc1c[nH]cc(C(=O)O)c1=N 1911577507 SODUCVVADCYSCK-NSHDSACASA-N 365.434 0.789 0 1 FCAF CCn1c(=O)c2[nH]c(-c3ccc(S(N)(=O)=O)cc3)nc2n(CC)c1=O 26015689 RNDDLALJHLTIAQ-UHFFFAOYSA-N 363.399 0.241 0 1 FCAF COCCNC(=O)C[C@@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 95678220 LJTZBZLXVQJQJX-JYJNAYRXSA-N 371.478 0.680 0 1 FCAF COc1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1 103262524 BIXKKBQECSTCMN-UHFFFAOYSA-N 370.409 0.747 0 1 FCAF COC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@H](O)C(=O)O)nc2c1 586884816 AWICAMGGCWYINA-BDAKNGLRSA-N 359.132 0.591 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccnc(Cl)c2[nH]1 587216960 AAHUSGXLZCSALK-XPUUQOCRSA-N 369.765 0.435 0 1 FCAF CN(CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@H]2CNS(C)(=O)=O 2356732724 REKUEHZQZFHBLM-BQFCYCMXSA-N 366.531 0.816 0 1 FCAF COC(=O)CO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Nc1nccc(-c2ccco2)n1 2356841121 NEXQMQFJFIBMOD-UIBBOPPKSA-N 361.354 0.873 0 1 FCAF COC(=O)Cn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)CCN2 82204827 YAGWVEZAAPZALE-UHFFFAOYSA-N 364.402 0.517 0 1 FCAF Cc1cc(F)c2[nH]c(C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)nc2c1 587218499 HBBVNYTUGMWFSI-UWVGGRQHSA-N 366.349 0.314 0 1 FCAF C[C@H]1CC(=O)CC(C)(C)[C@H]1C=C[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356443478 NLPBBNGDXNHAJP-UPMUAMPPSA-N 372.458 0.389 0 1 FCAF CCOC(=S)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)c(O)c1 2356860193 UCRLHRLMYSVFGS-AUEVYABPSA-N 373.427 0.010 0 1 FCAF NS(=O)(=O)c1cc2c(cc1Cl)N=C(CCC(=O)O)NS2(=O)=O 5385117 ZWUAVQXIWHVWDR-UHFFFAOYSA-N 367.792 0.174 0 1 FCAF COc1ccc(CN2C(=O)c3cccn3[C@]3(CC(=O)NC3=O)C2=O)cc1 13781458 ZCGJISDFICTCBI-SFHVURJKSA-N 353.334 0.421 0 1 FCAF CCc1cccc(Nc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1 28018607 GRUMNHDNZLNMIX-WLLUSJSYSA-N 371.397 0.744 0 1 FCAF Cn1c(CC(=O)N2CCc3ccccc32)nc(N2CCOCC2)cc1=O 103262547 DALZLCXHMHOFAJ-UHFFFAOYSA-N 354.410 0.749 0 1 FCAF CCNC(=O)Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205036462 HTNSAFNSBVKMAA-YHYXMXQVSA-N 370.373 0.625 0 1 FCAF O=C(N[C@@H]1CCN2C(=O)[C@@H]3C[C@@H](OCC4CC4)CN3C(=O)[C@H]12)C1CCC1 2356307825 WNWOGXQWSYCRNM-WCVJEAGWSA-N 361.442 0.282 0 1 FCAF CC(=O)O[C@@]1(C)C[C@H](O)C2=C(CO)C(=O)OC2=C[C@@]2(C)CC[C@@]1(O)O2 2356643633 ZGQYQZSMVWPWJB-RGXXSHLXSA-N 354.355 0.060 0 1 FCAF O=C1[C@H]2C[C@H](O)CN2C2(CN(CC3CC3)C2)C(=O)N1Cc1ccccc1 2356682372 KMDKOQWGRVYWAT-DLBZAZTESA-N 355.438 0.455 0 1 FCAF COC(=O)[C@H]1C(=O)O[C@@H](c2cc(OC)c(OC)cc2OC)[C@@H]1C(=O)OC 5811039 QUDJBVIBHMSYIT-RDBSUJKOSA-N 368.338 0.889 0 1 FCAF O=C1[C@@H]2O[C@@H]2C2(Oc3cccc4cccc(c34)O2)[C@]23O[C@]12[C@H](O)CC[C@H]3O 14636350 JBMAWELOWLUVHE-YVGBSSDZSA-N 368.341 0.681 0 1 FCAF biogenic C[S@](=O)CCN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O 72174763 FJFJGPAWIKZSOM-JBEBIEQOSA-N 350.396 0.812 0 1 FCAF CC(=O)C[C@]1(O)C(=O)c2c(O)cc(CO)cc2O[C@]1(C)[C@@H]1CCC(=O)O1 85994812 HOIRMAMFSJXDHK-VHSSKADRSA-N 364.350 0.634 0 1 FCAF biogenic O=C(O)CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 142044044 YVKZCBAGQKELGQ-YMILTQATSA-N 350.408 0.008 0 1 FCAF CC1=NC(=S)N[C@@H](c2cccc(O)c2)[C@@H]1C(=O)OCCOCCO 169720099 DUEOROBVBNZKOT-KGLIPLIRSA-N 352.412 0.951 0 1 FCAF COC(=O)[C@H](O)CS[C@@H]1CC(=O)O[C@@H](C)CCCCC[C@H](O)C1=O 253668127 VZIWNOAEUWFTFJ-WUHRBBMRSA-N 362.444 0.838 0 1 FCAF C[C@H]1[C@H](O)C(=O)[C@@H]2[C@]3(C)[C@H]1CC(=O)O[C@@H]3C[C@@H]1[C@H](C)C[C@H](O)[C@@H](O)[C@]21C 255222264 KBORUIMKALHADL-NFJUJUDFSA-N 366.454 0.908 0 1 FCAF CO[C@@H]1CN(c2ccccc2)S(=O)(=O)[C@@]12CCN(C(=O)N(C)C)C2 299857147 CQQSKXUUUNTQFV-GDBMZVCRSA-N 353.444 0.978 0 1 FCAF C[C@@H]1O[C@@H]2NCNC(=O)[C@@H]2[C@H]1C(=O)N(C)Cc1nc2ccccc2s1 618014896 ABOMBRYNQBURDU-KXLSUUCQSA-N 360.439 0.909 0 1 FCAF C[C@H](O)[C@H](C=C[C@@H]1O[C@@H]2C=CC(=O)O[C@H]2[C@H]1O)OC(=O)c1ccccc1 2356429446 VCEHKGMNWZSLKE-JEZHPBPSSA-N 360.362 0.759 0 1 FCAF COCCN1C[C@@H](CO)O[C@@H](n2cnc3c(N4CCCC4)ncnc32)C1 61898893 NUEIRDAIWCJKIS-UONOGXRCSA-N 362.434 0.265 0 3 FCAF COc1cc(CCCO)cc2c1O[C@H](C1=C[C@H](O)[C@@H](O)CC1)[C@H]2CO 2356688186 RAROOKDBJRIINZ-NBOOPKSLSA-N 350.411 0.899 0 1 FCAF CN(C)c1ncnc2c1ncn2[C@H]1CN(Cc2cccnc2)C[C@@H](CO)O1 61905007 MEMWTYBNBNMATL-LSDHHAIUSA-N 369.429 0.679 0 3 FCAF Cc1ccc(CN2C[C@@H](N3CCN(CCO)CC3)CS2(=O)=O)cc1 72136025 NVEOYOHLJLKTDH-QGZVFWFLSA-N 353.488 0.119 0 3 FCAF CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](NC(C)=O)[C@@H]1OC(C)=O 255971668 FJEJQSQCOOUCJJ-IYYNEKPFSA-N 365.382 0.908 0 3 FCAF CN1C(=O)c2cc(NC(=O)[C@@](C)(O)C(F)(F)F)ccc2S1(=O)=O 13760252 LVDYWJPJWFKSDK-LLVKDONJSA-N 352.290 0.713 0 1 FCAF CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-n3cccn3)n2)CC1 23360528 QLEOUVARNDJFJN-UHFFFAOYSA-N 367.417 0.034 0 1 FCAF O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(F)cc3)CN21)NC1CC1 35442302 HIMCTDNIYDGQLG-KSZLIROESA-N 374.460 0.915 0 1 FCAF biogenic O=C1[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(S(=O)(=O)N2CCCC2)cc1 101956485 OZACSBBVZJZQEF-VGWMRTNUSA-N 374.418 0.914 0 1 FCAF Nc1ncnc2c1nc(-c1cccs1)n2[C@@H]1S[C@H](CO)[C@@H](O)[C@H]1O 653862988 ZGYURXHUWXTLPO-AKAIJSEGSA-N 365.440 0.465 0 1 FCAF Cn1c(=N[C@@H]2C[C@H](c3ccccc3)CN(CCO)C2)[nH]c2cc[nH]c2c1=O 1857581889 MVNRAHCCLWOKDP-JKSUJKDBSA-N 367.453 0.946 0 1 FCAF Cc1c(-c2nc(S(C)(=O)=O)n[nH]2)c(=O)n(-c2ccc(F)cc2)n1C 1857752979 ZFXSNBZOQKAZIL-UHFFFAOYSA-N 351.363 0.812 0 1 FCAF O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCCN1[CH]NC=C1 2356304694 AORZZZZSDIKTLG-OAHLLOKOSA-N 356.406 0.519 0 1 FCAF COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(OCC=C(C)C)c1 2356643245 LTKOEKFHHKOTHT-YFHUEUNASA-N 368.382 0.636 0 1 FCAF CN1CNC[C@]1(C)C[C@@H](NC(=O)c1cc(Br)c[nH]1)C(=O)O 2356845239 OCSUXHGXEZZRBA-MFKMUULPSA-N 359.224 0.602 0 1 FCAF COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(OC)c(OC)cc1OC 3315755 NDSHETCLKRCUKC-LLVKDONJSA-N 366.370 0.216 0 3 FCAF CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1 95887004 XDZVHRLWUJKWQZ-BARDWOONSA-N 369.487 0.731 0 1 FCAF O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc2c1OCCN2 115073780 FNVXODZLOZEOPT-UHFFFAOYSA-N 371.397 0.592 0 1 FCAF CC(=O)OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O 238747112 HSXZFKWYUYQDQF-UYTYNIKBSA-N 368.382 0.187 0 1 FCAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC(F)(F)F)[C@H](O)[C@@H]1O 254077853 OADDFVPHOXLNAW-LEIICMHDSA-N 365.337 0.323 0 1 FCAF CCCCNS(=O)(=O)c1ccc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2c1 586884867 AZXBIQNICYGNMB-NEPJUHHUSA-N 357.388 0.120 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(Cl)nc2[nH]1 587218325 HVYDFOWKRWJVTM-POYBYMJQSA-N 369.765 0.435 0 1 FCAF NC[C@@H]1CC[C@H]2CN(c3nc(N)n4nc(-c5ccco5)nc4n3)CCN2C1 13585797 DYWSRIKBZVIJHQ-RYUDHWBXSA-N 369.433 0.221 0 1 FCAF CCN1CCC[C@H]1CNC(=O)c1cc(NS(N)(=O)=O)c(C)cc1OC 33857359 AUJUWRKVARWCMJ-LBPRGKRZSA-N 370.475 0.833 0 1 FCAF OC[C@H]1O[C@H](Oc2ccc(C3(C(F)(F)F)N=N3)cc2)[C@H](O)[C@@H](O)[C@@H]1O 49802656 LCXCQRHELIUUNS-ZIQFBCGOSA-N 364.276 0.046 0 1 FCAF O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@H]4OCCO[C@@H]4[C@H]3O)cc2o1 85532001 DRPNBPJOHDWMMN-LMHBHQSJSA-N 350.323 0.034 0 1 FCAF biogenic,in-vitro C=c1nns/c1=c1\[nH][nH]c(=O)\c1=C/c1cn(C)c2c(OC)cccc12 169719833 UACAWMOHNHOPKD-MZFNDEOKSA-N 353.407 0.581 0 1 FCAF CC1(C)[C@@H](O)C[C@@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O 238744807 BWMFRQKICHXLSH-BEENNGTJSA-N 370.486 0.168 0 1 FCAF C[C@@]1(CO)[C@H]2C[C@@H](O)C3=C[C@H]4C[C@]3(CC[C@@]4(O)CO)[C@]2(C)CC[C@H]1O 2356323348 BAOAFTJGHZETGJ-WEWCDMEASA-N 352.471 0.977 0 1 FCAF O=C1C[C@H](CCCO)C[C@@H]2[C@@H]3CCCN4CCC[C@H]([C@H]34)[C@H](C(O)O)N12 2356637248 MJPMVDBGPHPOQH-ZJMHZOEWSA-N 352.475 0.550 0 1 FCAF CN1CC[C@@H]2[C@@H]1C(=O)NC[C@H](CCC(=O)N1CCc3ccccc31)N2C 2356822652 FXRGAWJEVWVVKX-KVSKMBFKSA-N 356.470 0.859 0 1 FCAF CC(C)C[C@H](NC(=O)COc1ccccc1)C(=O)N[C@H]1CC(=O)O[C@@H]1O 13819200 JDGCYXDEIIJQIN-DEYYWGMASA-N 364.398 0.346 0 1 FCAF CN1CCC(CCC(=O)N2CCC[C@H](C(=O)NCCC(=O)O)C2)CC1 26402667 FESCEKWSTPKQHV-HNNXBMFYSA-N 353.463 0.938 0 1 FCAF O=C(O)c1cn(C2CC2)c2cc(N3CCNC[C@@H](O)C3)c(F)cc2c1=O 29245958 LWHWQUHEUAZWEZ-LLVKDONJSA-N 361.373 0.944 0 1 FCAF OC[C@H]1O[C@@H](c2cccc(Cc3nc4ccccc4o3)c2)[C@H](O)[C@@H](O)[C@@H]1O 84619232 FIXRZYYORGAGGY-PKOFMYQESA-N 371.389 0.934 0 1 FCAF C[n+]1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)cc1 95920602 XPNLMZJVXKGMFM-MOPGFXCFSA-O 367.473 0.688 0 1 FCAF in-vitro CNS(=O)(=O)c1cc(-c2nc3c(S)nc(S)nc3[nH]2)n(C)c1 586947063 JSCAMSFWEWWCOQ-UHFFFAOYSA-N 356.458 0.844 0 1 FCAF CNS(=O)(=O)c1cc(-c2nc3nc(Br)c[nH]c-3n2)n(C)c1 586947316 LURRBALUGALROB-UHFFFAOYSA-N 371.220 0.981 0 1 FCAF Cc1cc(C(=O)NC[C@@]2(COc3cccnc3)C[C@H](O)[C@H](O)C2)n(C)n1 2356298440 CNNVJYYFQXPKMS-VQFNDLOPSA-N 360.414 0.434 0 1 FCAF COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3ccc(OC)cc3)[C@@H]21 2356323350 BELYTDACYGBLFE-HTOAHKCRSA-N 352.412 0.042 0 1 FCAF CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cnccn2)C1 4612092 CUXABXMNNRGLJU-VNHYZAJKSA-N 350.419 0.373 0 1 FCAF CC(C)(C)C(=O)COc1ccc(C[C@@H](NC(=O)C(=O)O)C(=O)O)cc1 45373869 BXSCSWJGAMTYNZ-GFCCVEGCSA-N 351.355 0.877 0 1 FCAF CN(C)S(=O)(=O)CCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586931896 OZHLXAVEBGHWDF-UHFFFAOYSA-N 360.461 0.247 0 1 FCAF CN1C[C@@H](CNC(=O)c2cccc(COc3cc(CN)ncn3)c2)OC1=O 1857571663 BLQFPRXJDHFBAJ-OAHLLOKOSA-N 371.397 0.695 0 1 FCAF COC(=O)[C@@H]1[C@H](O)[C@@]23C=CCN4C[C@@](O)([C@H]2C)[C@@]2(c5ccccc5N[C@@H]12)[C@H]43 2356399344 SSDQGZDVMVZYAC-ZGBQWWCJSA-N 368.433 0.503 0 1 FCAF COc1cc2c(c(OC)c1OC)[C@@H]1O[C@H](CO)[C@H](OC)[C@H](O)[C@@H]1OC2=O 2356671422 YMKVGAMALRPMHT-CHIYKUSMSA-N 370.354 0.060 0 1 FCAF CN1CCN([C@@H]2[C@H](CNCc3cccc(Cl)c3)O[C@@H](CO)[C@@H]2O)CC1 2356842270 MMKZGWQQYXUHEC-FJIDUMEYSA-N 369.893 0.166 0 1 FCAF O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)CCN2)c1ccncc1 82204845 QEYDVMTZMNJTNG-UHFFFAOYSA-N 364.365 0.526 0 1 FCAF COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41CO 169327056 KRVBAKCHGBGKIW-FLRXZLRLSA-N 361.394 0.892 0 1 FCAF Cn1nccc1CS(=O)(=O)Cc1nc2cccc(S(N)(=O)=O)c2[nH]1 586923533 PCKRSEHZLPTVLX-UHFFFAOYSA-N 369.428 0.059 0 1 FCAF CCc1ccc2nc(C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c2c1 587218858 ISRXIOJTLDGPJX-CMPLNLGQSA-N 362.386 0.429 0 1 FCAF CS(=O)(=O)N1CCO[C@@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1 587654936 PZMXIOTVRSWYEJ-GFCCVEGCSA-N 371.802 0.351 0 1 FCAF CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@@H](CCC(=O)NCc1cccnc1)N2C 2356823018 GHYPUHUPNVNIHQ-LMMKCTJWSA-N 373.501 0.760 0 1 FCAF CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCN(C(=O)CO)CC3)C(=O)O1 3980068 MZMCQDIVTRNPCQ-INIZCTEOSA-N 361.398 0.067 0 1 FCAF COc1ccccc1CN1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C 28873955 IREYKMZFYCQRKW-UHFFFAOYSA-N 355.398 0.853 0 1 FCAF COc1ccccc1S(=O)(=O)N[C@H](CNC(=O)c1ccoc1)C(=O)O 43016140 OESSUCMSIFTYEL-LLVKDONJSA-N 368.367 0.450 0 1 FCAF C[C@@H]1[C@@H](O)C[C@@]2(O)[C@@H]1[C@H]1O[C@@]3(O)C[C@]2(C)[C@@H]2C[C@@H]([C@@H](C)CO)[C@@]3(C)[C@@]21O 56874713 HQUSKUTUDDZKOD-AZJQHUAPSA-N 368.470 0.247 0 1 FCAF in-vitro COC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(OC)cc2)[C@H](CO)O1 95675499 PJOLWCYMJOXMFX-YUELXQCFSA-N 373.427 0.445 0 1 FCAF CS(=O)(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)O)O[C@@H](CO)[C@@H]1O2 95794236 DHTDTXXESPFODJ-WRPZCXLFSA-N 357.384 0.527 0 1 FCAF CCC(=O)N[C@H]1C=C[C@H](CC(=O)NCc2ccccc2OC)O[C@@H]1CO 95906027 TYONUPOIPWMRQR-HLLBOEOZSA-N 362.426 0.912 0 1 FCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H](O)[C@H](O)CO)N1 587834268 RDYGSNMRYVVLSB-NTXHMQPZSA-N 364.211 0.239 0 1 FCAF Cc1c(C(=O)N2C[C@@H]3[C@@H](CF)[C@@H]3C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857611976 LMZTUUOBWKWOPO-UOJUARBOSA-N 356.361 0.804 0 1 FCAF O[C@@H]1[C@H](NCc2ccncc2F)[C@H]2CO[C@@H](O2)[C@@H]1n1cc(Cl)cn1 2356722014 WAHXZVPDHXJRQB-RYPNDVFKSA-N 354.769 0.886 0 1 FCAF O=C1CC[C@H](O)C2=C[C@H](O)[C@@H](O)C3(Oc4cccc5cccc(c45)O3)[C@@]12O 13398545 IETBVXMUDJHZAJ-WXPXUSHHSA-N 370.357 0.424 0 1 FCAF biogenic CNn1c(=O)cc2n(C3CC3)c3cc(N4CCNCC4)c(F)cc3n2c1=O 13650483 ABKMRHWZKUXSTO-UHFFFAOYSA-N 372.404 0.473 0 1 FCAF C[C@H](C(=O)O)c1cs/c(=N/C(=O)CS(=O)(=O)c2ccccc2)n1O 40980278 HYOCAVUKZVJHHL-SOLLPLKKSA-N 370.408 0.876 0 1 FCAF CN(CC(=O)N1CCNCC1)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82085707 RTTKVCLZMHZCJX-UHFFFAOYSA-N 372.381 0.574 0 1 FCAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@H](O)CO)N1 587834888 UJWHGAUUAGNGBG-DQHVQMCWSA-N 364.211 0.239 0 1 FCAF O=C1COC(CN2CCOCC2)=C[C@]12NCCc1nc3ccccn3c12 962982816 KUQOIDUZNXHGLL-IBGZPJMESA-N 354.410 0.491 0 1 FCAF CC(=O)O[C@H]1C2=C(CO[C@]13O[C@@H](C)CC[C@H]3OC(C)=O)[C@@](C)(O)C(=O)C2 2356418853 YSZSEYNPMYSAEI-KNSQCNAZSA-N 368.382 0.796 0 1 FCAF CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(=O)O 2356709063 NLZVTPYXYXMCIP-CRWXNKLISA-N 356.467 0.049 0 1 FCAF NC(=O)C1CCN(C(=O)CCn2c(=O)c3cccn3c3cccnc32)CC1 20512328 OZGQFZKBZFSWNV-UHFFFAOYSA-N 367.409 0.763 0 1 FCAF NS(=O)(=O)c1ccc(CCONC(=O)c2cccc(C(=O)O)n2)cc1 26578332 SLYWIOIBRCGLNI-UHFFFAOYSA-N 365.367 0.331 0 1 FCAF Cc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 40423858 XBIVXXYLQONGDK-LLVKDONJSA-N 373.432 0.977 0 1 FCAF NCCN(CCO)CCOC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82086237 CSXCQJGBQAQVIU-UHFFFAOYSA-N 363.370 0.480 0 1 FCAF N=C(N)Nc1cccc([C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 299839495 YKCDVZGMEHGJGV-GJZGRUSLSA-N 354.414 0.205 0 1 FCAF CC(=O)CC[C@@H]1[C@@H](C)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356559658 HQWAINIJVJHGRG-JJVAPOCCSA-N 374.474 0.613 0 1 FCAF CN1C[C@H]2CN(c3cc4c(cc3F)c(=O)n(O)c(=O)n4C3CC3)C[C@H]2C1 28373648 AOKSNIQQQYVKAV-PHIMTYICSA-N 360.389 0.872 0 1 FCAF CC(C)NC(=O)N[C@H]1CC[C@H](CC(=O)NCCN2CCCC2)O[C@@H]1CO 95907487 FTIYXGGJAAWHHL-OWCLPIDISA-N 370.494 0.205 0 1 FCAF CN(CCOc1ccc(C(N)N)cc1)CCOc1ccc(C(N)N)cc1 222339642 VVISVRKXAXKKEF-UHFFFAOYSA-N 359.474 0.908 0 1 FCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3ccncc3F)[C@@H](O)[C@H]2O1 2356288564 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504243542 LIVDSGBMAPJLQG-XZQJXYQISA-N 368.470 0.090 0 1 FCAF biogenic N[C@@H]1CC[C@H](c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)C1 587247542 UEEGEGNGQPIZNO-DZGCQCFKSA-N 357.458 0.908 0 1 FCAF CN(C)S(=O)(=O)c1ccc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2c1 587255549 QIHMTZKWAZCOEI-UHFFFAOYSA-N 350.400 0.818 0 1 FCAF COc1ccc(-c2cc3c(N[C@H](CO)[C@@H](C)O)c(C(N)=O)cnn3c2)cn1 1857597221 SQANAFANUDMBOB-QMTHXVAHSA-N 371.397 0.657 0 1 FCAF CC[C@H](NC(=O)C1=C[C@H](Oc2ccc(C)c(C)c2)[C@H](O)[C@@H](O)C1)C(N)=O 2356836104 KXGCGMQQWOQRHF-LUKYLMHMSA-N 362.426 0.483 0 1 FCAF CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2[C@@H](CCN2CC2CC2)N1C 2356841855 MIPIDCXKPCTAGY-NUJGCVRESA-N 350.507 0.918 0 1 FCAF C#CCO[C@@H]1C[C@H]2C(=O)N3CCN(C(=O)c4cccs4)C[C@H]3C(=O)N2C1 4277766 GHSADVBFNAVZAR-RDBSUJKOSA-N 373.434 0.034 0 1 FCAF biogenic CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1CC(=O)N1CCN(C(C)=O)CC1 5411940 WXOFKQJOMSFJNL-GJZGRUSLSA-N 359.492 0.375 0 1 FCAF biogenic CCCS(=O)(=O)N1CC[C@H]2NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21 25422214 TUQHHBQLTKXBRJ-ZIAGYGMSSA-N 351.428 0.921 0 1 FCAF biogenic O=C1OCc2c(cc3n(c2=O)Cc2cc4ccccc4nc2-3)[C@@]1(O)CO 27987830 RFHJILZUQZQPSJ-IBGZPJMESA-N 350.330 0.662 0 1 FCAF CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3)O2)c(=O)[nH]c1=O 29394218 FQSYFGRTCJFQKG-ZMSDIMECSA-N 373.409 0.106 0 1 FCAF NC(=O)[C@H](CO)NC(=O)C[S@@](=O)C1c2ccccc2-c2ccccc21 84757619 MRYUWFABNNNLOY-MQNRADLISA-N 358.419 0.468 0 1 FCAF CCOC(=O)C(=O)Nc1cc(NC(C)=O)cc(NC(=O)C(=O)OCC)c1 169316035 SDPSKUVMYSMGOL-UHFFFAOYSA-N 365.342 0.648 0 1 FCAF O=C(NC(P(=O)(O)O)P(=O)(O)O)c1ccc(Br)cc1 169351252 DZEUVTPRJSYTQV-UHFFFAOYSA-N 374.020 0.818 0 1 FCAF CNS(=O)(=O)N1CCC(c2nc3ccc(C(=O)OC)nc3[nH]2)CC1 586955524 KEMHOVXILCGZSQ-UHFFFAOYSA-N 353.404 0.388 0 1 FCAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N(C)C)n(C)c(=O)n(C)c1=O)O2 587389965 DWUARAPGZYWNRJ-CYBMUJFWSA-N 358.398 0.747 0 1 FCAF CC(=O)OC[C@H]1O[C@H](OCC=C(C)[C@H](O)CC=C(C)C)[C@@H](O)[C@H](O)[C@H]1O 2356497360 LJCGTVANQJWUDP-ZXXIGWHRSA-N 374.430 0.037 0 1 FCAF O=C1c2cc3c(cc2OCN1CCn1nccn1)C(=O)N1CCC[C@@H]1O3 72175255 HDHNGAVARSCCQD-HNNXBMFYSA-N 355.354 0.725 0 1 FCAF NS(=O)(=O)OC[C@@H]1C[C@@H](Oc2cc(NC3CCCC3)ncn2)C[C@@H]1O 114583643 SDTGWJVQSONSRT-UHTWSYAYSA-N 372.447 0.570 0 1 FCAF NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 587140643 HIDXGOKFUXWAQW-UHFFFAOYSA-N 370.387 0.664 0 1 FCAF CC(=O)CC[C@H]1[C@@H](C)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356559659 HQWAINIJVJHGRG-NAVGRBSDSA-N 374.474 0.613 0 1 FCAF CC1(C)[C@@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H]3[C@](O)(C[C@@H](O)[C@@]21O)C[C@@]4(C)O 5765515 PNXZEOYIDGRIFH-WHXJEJCNSA-N 370.486 0.168 0 1 FCAF biogenic,in-vitro CCN1CCC[C@@H]1CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1OC 29482246 ASKAWQZDBLFFBQ-GFCCVEGCSA-N 355.460 0.899 0 1 FCAF Nc1ncnc2c1ncn2[C@H]1O[C@H](/C=C(/F)Br)[C@@H](O)[C@H]1O 49793207 FQGCLFWAACZLII-PABXSIEASA-N 360.143 0.234 0 1 FCAF CC1(C)S[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C(=O)O)S1 66077132 BXKCEIODGKEUNQ-ARDNSNSESA-N 351.402 0.459 0 1 FCAF COc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](CC(=O)O)O[C@@H]2CO)cc1 95906692 CKPAPQIIXSLJFJ-FPMFFAJLSA-N 357.384 0.133 0 1 FCAF C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)C[C@@H](O)[C@@H](C)[C@@H]42)[C@@]13C 100781249 HQUSKUTUDDZKOD-VBKGVYLASA-N 368.470 0.247 0 1 FCAF endogenous,in-man CCn1cc(C(=O)O)c(=O)c2cc(F)c(NNc3nc(=N)[nH][nH]3)c(F)c21 1911577038 WDRINSXIKFHHPJ-UHFFFAOYSA-N 365.300 0.967 0 1 FCAF CN1CCN(C(=O)[C@H]2CCC[C@H](NCC3CC3)CN(C)C(=O)C2)CC1 2356374155 OZCXMEHFOHSTFP-IRXDYDNUSA-N 350.507 0.777 0 1 FCAF OC[C@H]1O[C@@H](n2cnc3c(SCc4ccccc4)ncnc32)[C@@H](O)[C@@H]1O 12671331 OMJRXFOHHLLDFR-MBMVNNNZSA-N 374.422 0.730 0 1 FCAF CO[C@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@H]12)C(C)(C)O 15211025 CPLWZJLNDZMNAX-GMIDFTQGSA-N 371.430 0.013 0 1 FCAF biogenic COC(=O)[C@@H]1[C@@H](c2cccc(O)c2)NC(=S)N[C@@]1(O)C(F)(F)F 66066451 DSHBYTNNYXWCKD-SBMIAAHKSA-N 350.318 0.951 0 1 FCAF COC(=O)C[C@@H]1C[C@@H]2c3cc(NS(C)(=O)=O)ccc3O[C@@H]2[C@@H](CO)O1 95901760 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CCN(CC)CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1 4034490 AKXJZDMUWXYBBJ-UHFFFAOYSA-N 374.551 0.887 0 3 FCAF O=C1CN(C(=O)C2CCC3(CC2)CNC(=O)c2ccccc2O3)CCN1 19374732 IPRWHCDEEFJEEH-UHFFFAOYSA-N 357.410 0.696 0 1 FCAF CN(Cc1ccccc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1 34640964 SGWJFPIILMLPGR-HZPDHXFCSA-N 362.451 0.787 0 1 FCAF CC1(C)NC(=O)Cn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O 35017614 UKYAFGFXXKGCAD-UHFFFAOYSA-N 360.345 0.383 0 1 FCAF CCNC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1 95907608 XGMRPRNXRMHJTE-CFVMTHIKSA-N 374.434 0.539 0 1 FCAF COC(=O)c1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2n1 586939379 NNUHRQNTEJDROY-QMMMGPOBSA-N 364.387 0.518 0 1 FCAF CC1=C(C=C[C@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CC(=O)C1 2356473349 CHEIWKRTMHHGDF-LTUQZUHASA-N 370.442 0.453 0 1 FCAF O=C1N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(C(=O)C3CC3)C[C@@H]12 2356847303 OVSRURRDPSEBAW-CABCVRRESA-N 361.829 0.830 0 1 FCAF CS(=O)(=O)N[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2n1cc(-c2ccccc2)nn1 2356873467 YGWQWBNCHXZDMD-QPSCCSFWSA-N 350.400 0.202 0 1 FCAF COc1ccc(Cn2cc(CN3C[C@@H](N(C)C)CS3(=O)=O)nn2)cc1 96021016 NZZFKLCSXBVZFA-OAHLLOKOSA-N 365.459 0.411 0 3 FCAF O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1OC/C=C/Cc1ccccc1 5955965 PXOKGKRKJRGYOJ-FCIYASPPSA-N 374.393 0.355 0 1 FCAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@@H]2SC1 7997876 BOEGTKLJZSQCCD-RWSFTLGLSA-N 363.395 0.151 0 1 FCAF N[C@H](Cc1ccc(-c2ccc(C[C@@H](N)C(=O)O)cc2O)c(O)c1)C(=O)O 12496719 FHOZGLMQYMAREG-ZIAGYGMSSA-N 360.366 0.674 0 1 FCAF endogenous,in-man CN(C)c1ncnc2c1ncn2CCCCCOC(=O)NCC(=O)O 26731902 MAZQLCNKIORAQO-UHFFFAOYSA-N 350.379 0.873 0 1 FCAF COC(=O)c1ccc(N(C)C[C@@H]2Cc3c(N)nc(N)nc3NC2=O)cc1 27108885 UCDROFRQTIVURL-JTQLQIEISA-N 356.386 0.675 0 1 FCAF O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NC[C@@H]1COc2ccccc2O1 36384107 HLMZWNBZCZZZRY-YXCOWNBQSA-N 368.389 0.750 0 1 FCAF O=c1ccn([C@H]2CC[C@@H](CO[P@](=O)(O)Nc3ccncc3)O2)c(=O)[nH]1 72119856 JNTRNPQLQLWPGZ-WCQYABFASA-N 368.286 0.838 0 1 FCAF 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368.478 0.741 0 1 FCAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2c2nc(O)ncc2C[C@]3(O)[C@H]1C5 169345558 LCNCABZWEXDLGV-QUSXHRHCSA-N 353.378 0.807 0 1 FCAF COc1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2c1 587221381 PNVCEKXVOZWQBP-KOLCDFICSA-N 364.358 0.396 0 1 FCAF Cc1ccc(C)c2[nH]c(C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)nc12 587224434 ZNXKQCYDUAQSNC-QWRGUYRKSA-N 362.386 0.484 0 1 FCAF COC(=O)CO[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3ccc(N(C)C)cc3)CO[C@@H]12 25208554 QBKFOSCBVXIAOL-ABFRBSLYSA-N 364.398 0.207 0 1 FCAF biogenic C[C@@]12CC[C@H](CS(=O)(=O)c3nc[nH]n3)C[C@]1(C)C[C@H](C(=O)O)NC2 29227373 MQFAYNCEKGLLKI-IDTSFGKNSA-N 356.448 0.838 0 1 FCAF Nc1nc(NC2CC2)c2ncn(C[C@@H](CF)OCP(=O)(O)O)c2n1 71319202 UFZJAPCFBPHQNK-MRVPVSSYSA-N 360.286 0.473 0 1 FCAF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOc1ccc(F)cc1 95552491 JCWBGCXSONUFCO-XMTFNYHQSA-N 357.422 0.524 0 1 FCAF COC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(OC)cc2)[C@H](CO)O1 95675424 QXJDCVBLBQBSAR-QEJZJMRPSA-N 371.411 0.221 0 1 FCAF 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CCN[C@H]1C[C@H](CCCO)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 168679978 WMOYFOTXQYVRRY-WPRPVWTQSA-N 368.502 0.365 0 1 FCAF Cc1cc2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2cc1C 587218967 JHAPURNHHCLRCE-MNOVXSKESA-N 362.386 0.484 0 1 FCAF CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C1CCOCC1)CC2 91350593 HYPOFLOXLFVHAA-UHFFFAOYSA-N 354.476 0.698 0 1 FCAF O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2C(=O)Cc2ccncc2)O1)C1CCOCC1 95797754 NKWDSBHDXVINQL-KZNAEPCWSA-N 373.453 0.925 0 1 FCAF COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2n1 586929158 SWJSTSFWNMMJDR-UHFFFAOYSA-N 361.383 0.960 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cccc(F)c2[nH]1 587219221 JWDVLSGGLKGEOR-WPRPVWTQSA-N 352.322 0.526 0 1 FCAF O=C1c2ccccc2S(=O)(=O)N1Cc1ccc2c(O)nc(O)nc2n1 587562533 DVNSEDMMCSLUHG-UHFFFAOYSA-N 358.335 0.781 0 1 FCAF CC(C)NC(=O)NC[C@@H]1O[C@H](Cc2cc(CN(C)C)on2)CC[C@@H]1O 2356319258 RCLLALKLADYINK-BPUTZDHNSA-N 354.451 0.895 0 1 FCAF CC=C1C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@](C)(O)[C@H](C)[C@H]1O)[C@@H]23 2356774861 FAFYHPIEFKLDSP-PULQGJDTSA-N 353.415 0.244 0 1 FCAF CC1CCN(C(=O)C[C@@H]2O[C@H](CNCc3ccccn3)[C@@H](O)[C@H]2O)CC1 8627194 HNZBPMMHHQRESV-OGWHTMIXSA-N 363.458 0.309 0 1 FCAF biogenic O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1-c1ccc(Br)o1 27524470 SDIRBUIWZUCLRP-ARENWVFISA-N 373.159 0.200 0 1 FCAF OC[C@H]1O[C@@H](n2cnc3c(NC4CCC4)cc(Cl)nc32)[C@H](O)[C@@H]1O 32016592 BYUOLLLTVKGIIB-QGMIFYJMSA-N 354.794 0.661 0 1 FCAF Cn1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2ccccc2)n1 100297524 VVPOTXIOUPHXSR-CHWSQXEVSA-N 351.322 0.959 0 1 FCAF NC(=O)c1c(N2CCN(CCO)CC2)nc2sc3ccccc3n2c1=O 103167948 SRTMJJYTVMAEDK-UHFFFAOYSA-N 373.438 0.122 0 1 FCAF CN(Cc1cccc(-c2cnc(N3CCO[C@H](CO)C3)nc2)c1)C(=O)CN 143001626 UYJLLJSCJALZRB-KRWDZBQOSA-N 371.441 0.258 0 1 FCAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4C[C@@H]4C3)n2)cn1 653664355 GTPHHKGRYBWHKR-RFHZTLPTSA-N 351.414 0.949 0 1 FCAF COc1ccc(-n2c(=O)c(C)nc3cnc(N4CCNCC4)nc32)cc1 4238453 FCRALQSACSRZNV-UHFFFAOYSA-N 352.398 0.902 0 1 FCAF Cn1c(=O)c2c(nc3n2CCCN3C[C@@H](O)c2ccccc2)n(C)c1=O 28872357 BJPIKEGTFZZSRX-CYBMUJFWSA-N 355.398 0.377 0 1 FCAF CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccncc2)O1 95887205 MKIQWJGRPCGZSV-ZJPYXAASSA-N 363.458 0.717 0 1 FCAF CC(C)=CCn1c(N2C[C@@H]3CCCN[C@@H]3C2)nc2c1c(=O)n(C)c(=O)n2C 96916911 SLBWXZAWJOCQEL-UONOGXRCSA-N 372.473 0.588 0 1 FCAF CN(C)C(=O)CNc1nc(-c2cccc(O)c2)nc(N2CCOCC2)n1 148096246 AWJADMGOQPNCQD-UHFFFAOYSA-N 358.402 0.581 0 1 FCAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3ccncc3F)[C@H](O)[C@@H]2O1 2356293305 FYKHSVXEDCZTDH-KOVXWOGCSA-N 367.421 0.511 0 1 FCAF CO[C@@H]1N[C@H]([C@H](O)CCCCCCCC[C@H](O)CCCO)[C@H](O)[C@H]1O 2356428669 TWDNTWGVPATUAQ-SHRADXDESA-N 363.495 0.268 0 1 FCAF COC(=O)C1=C(C)N(NC(=O)c2ccccc2)[C@@](C)(O)[C@]12CCOC2=O 5757498 VZSAHIHZJOKJCJ-ZWKOTPCHSA-N 360.366 0.736 0 1 FCAF COC(=O)[C@H]1C(=O)O[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OC 5809588 ONJVECHHDILUID-AGIUHOORSA-N 368.338 0.889 0 1 FCAF CSC/C(=C\[C@@H]1CCCN1)C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2C1 26580027 SKZCZQAWBHOYAF-KPZZCZRDSA-N 352.456 0.978 0 1 FCAF COC(=O)CCC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O 40935597 QHVUQYQLJNVMKR-KRWDZBQOSA-N 373.409 0.854 0 1 FCAF COC[C@@]1(C)O[C@@](C)(n2cnc3c(N)nc(N)nc32)[C@](C)(OC)[C@@]1(C)O 95535520 MMQHHAFEMBHXRO-QKPAOTATSA-N 366.422 0.255 0 1 FCAF COc1cccc(CNC(=O)C[C@@H]2CC[C@H](NC(C)=O)[C@H](CO)O2)c1 95677355 QHWKOKDSIMAAGX-ULQDDVLXSA-N 350.415 0.746 0 1 FCAF COc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](CC(=O)O)O[C@@H]2CO)cc1 95906690 CKPAPQIIXSLJFJ-KWCYVHTRSA-N 357.384 0.133 0 1 FCAF CC(C)NC(=O)N[C@@H]1CC[C@H](CC(=O)NCCN2CCCC2)O[C@H]1CO 95907488 FTIYXGGJAAWHHL-OAGGEKHMSA-N 370.494 0.205 0 1 FCAF Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(-c3cccnc3)nc21 103265032 WSKFHFKKXWLVSR-UHFFFAOYSA-N 354.322 0.516 0 1 FCAF Cc1ccc(SCc2cn3c(nc2=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@H]23)cc1 147388056 CWZCZCRFZVYJCR-HGTKMLMNSA-N 362.407 0.856 0 1 FCAF CO[C@@H]1C=C[C@@]23c4cc5c(cc4C(=O)N(C)[C@@H]2C(=O)N(C)[C@H]3C1)OCO5 1857633006 ISRFYBUYCFSHKJ-OEOBASRBSA-N 356.378 0.923 0 1 FCAF CO[C@@H]1C[C@H](OC)[C@H](O[C@H](C[C@H](OC)[C@H](O)[C@H](C)O)OC)[C@H](C)O1 2356528810 INKMOJUFSBVXNQ-UDRKCNRUSA-N 352.424 0.287 0 1 FCAF CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@H]1C(=O)O)C(=O)NCCCc1c[nH]c(=N)[nH]1 2356723556 MVIUINKRBCGPBQ-SYEHKZFSSA-N 365.434 0.123 0 1 FCAF NC(=O)CNC(=O)c1ccccc1SC(=O)NCC[n+]1ccccc1 1661911 RKOCFDHVRCQDAU-UHFFFAOYSA-O 359.431 0.691 0 1 FCAF CCCn1c(=O)c2[nH]c(-c3cc(C(=O)O)n(C)n3)nc2n(CCC)c1=O 13559715 NHFAVKLQALQDMA-UHFFFAOYSA-N 360.374 0.805 0 1 FCAF C#CCO[C@@H]1C[C@H]2C(=O)N3CCN(C(=O)c4cccs4)C[C@@H]3C(=O)N2C1 36364821 GHSADVBFNAVZAR-HZSPNIEDSA-N 373.434 0.034 0 1 FCAF biogenic CCCCc1cc2c(O)nc(O)nc2nc1CC(=O)N[C@@H]1CCOC1=O 587553287 GHGCVMMPGDRTTL-LLVKDONJSA-N 360.370 0.753 0 1 FCAF N=c1ccc(CC[C@H]2C[C@@H](n3ccc4c(N)ncnc43)[C@H](O)[C@@H]2O)c[nH]1 1857593344 CKDKKHTYJFBKPI-ZCDTZLGTSA-N 354.414 0.737 0 1 FCAF Cc1cnn([C@@H]2[C@H]3OC[C@@H](O3)[C@@H](NC(=O)NCc3ccccc3)[C@@H]2O)c1 2356297534 VWMMMKDRDOXVPK-NRKLIOEPSA-N 358.398 0.717 0 1 FCAF C[C@]1(COC(=O)c2cc(Br)c[nH]2)NC=N[C@@H](C(=O)O)[C@@H]1O 14586815 RMRGGLUETWXFCH-VDDIYKPWSA-N 360.164 0.138 0 1 FCAF biogenic Cn1cccc1C(=O)N1CCN2C(=O)[C@H](Cc3cccs3)NC(=O)[C@@H]2C1 25417656 JKGXFHILVXEBNT-ZFWWWQNUSA-N 372.450 0.481 0 1 FCAF biogenic CC(C)[C@H](NC(=O)[C@@H]1CCCN1c1nc2ccccc2c(=O)o1)C(N)=O 27546796 FBDCHIDYHIIDQX-KBPBESRZSA-N 358.398 0.783 0 1 FCAF COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3cccs3)[nH]c2=O)cc1OC 28004524 PDYZYEUEEHCMQU-GSPAGQKZSA-N 356.403 0.800 0 1 FCAF CCS(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](CO)O1 95903497 IXJDFDNJRKUFSR-RRFJBIMHSA-N 362.492 0.531 0 1 FCAF Cc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCN(c2ncccn2)C3)cn1 96064866 SGXLLRABUIFESR-CRAIPNDOSA-N 354.414 0.877 0 1 FCAF CC(C)=CCn1c(N2CC[C@@H]3CNC[C@H]32)nc2c1c(=O)n(C)c(=O)n2C 115595994 MJJWCMRKPGSALX-CHWSQXEVSA-N 358.446 0.198 0 1 FCAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4C[C@H]4C3)n2)cn1 653664356 GTPHHKGRYBWHKR-XCCSTKFXSA-N 351.414 0.949 0 1 FCAF O=C1CCc2c(cccc2N2CCN(C[C@H](O)CN3CCOCC3)CC2)N1 1857606224 WNYGAUSVGLZESM-INIZCTEOSA-N 374.485 0.386 0 1 FCAF C[C@@H]1COc2cccc(NCCCN3CCOCC3)c2S(=O)(=O)N1 96021129 ZAGYFLXFXPERHH-CYBMUJFWSA-N 355.460 0.880 0 3 FCAF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)C)C[C@](C)(O)[C@@H]1CC(=O)[C@@](C)(O)[C@H]21 14816956 DKHQGANNIBTMQA-ASDZIKFMSA-N 366.410 0.763 0 1 FCAF biogenic Cc1cc(=O)oc2c3c(ccc12)OC[C@](CO)(CN1CCOCC1)C3=O 48999020 AWWKJLYPHDHQCH-LJQANCHMSA-N 359.378 0.987 0 1 FCAF COc1cc2c(cc1OCC(=O)OCCO[N+](=O)[O-])CO[C@H](C)C2=O 95559436 KTHUWOTWGCRYLZ-SECBINFHSA-N 355.299 0.927 0 1 FCAF N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc3nccn3n2)CC1 1911577488 GTNOFBUMWPFUNE-MRXNPFEDSA-N 350.426 0.948 0 1 FCAF Cc1cccc(OCC2(CNC(=O)c3cnccn3)C[C@@H](O)[C@H](O)C2)n1 2356321537 XRKZXMINGSKAPK-HUUCEWRRSA-N 358.398 0.491 0 1 FCAF CC(C)CN1CCC[C@@H](O)[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 2356814082 BXIORADPXIWTNS-DLBZAZTESA-N 363.458 0.762 0 1 FCAF Cc1cccn2c(=O)c3cc(C(=O)N[C@H]4CCS(=O)(=O)C4)n(C)c3nc12 4671267 HRTCJGCIECYFDN-NSHDSACASA-N 374.422 0.412 0 1 FCAF O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1OC/C=C/Cc1ccccc1 5955958 PXOKGKRKJRGYOJ-VAOVQGMVSA-N 374.393 0.355 0 1 FCAF Cc1c(N2C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C 18085375 YNNUVFDHJLOEGF-NMWPEEMBSA-N 351.362 0.927 0 1 FCAF CSCC[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O 29480268 YSIMSJTXHCYDRM-VIFPVBQESA-N 366.848 0.924 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cccc(O)c2[nH]1 587217540 BKRIPXNCYNWKNM-VXNVDRBHSA-N 350.331 0.093 0 1 FCAF CCOc1c(OC)cc2c(c1OCC)C(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](O)C[C@H]21 1857573639 PJLWGUSLESAWJV-DTIWESFOSA-N 367.398 0.175 0 1 FCAF O=C(C[C@@H]1C/C=C\CCCC(=O)OC[C@@H]2CCCN2C1=O)NCCO 61948424 XEJFTJLUIZAUMF-XYPKIGDPSA-N 352.431 0.766 0 3 FCAF O=C1N[C@H](Cc2ccc(F)cc2)C(=O)N2CCN(C(=O)c3ccco3)C[C@@H]12 25221858 DRVXDCBWEJWOSM-CABCVRRESA-N 371.368 0.813 0 1 FCAF biogenic COc1cccc(CNC(=O)C[C@H]2C=C[C@@H](NC(=O)C3CC3)[C@H](CO)O2)c1 95903837 VFXNSGNFMQFRLQ-KURKYZTESA-N 374.437 0.912 0 1 FCAF C[C@H]1OC[C@H]2[C@@H]3N(C(=O)CO)c4ccccc4[C@@]34CCN3C[C@@H]1[C@@H]2C[C@]34O 238784530 PUJOYKKZYBTUSK-LQOCACJHSA-N 370.449 0.711 0 1 FCAF C[C@](O)(C[C@@H]1C=C(CO)C(=O)O1)[C@H]1COc2ccc3ccc(=O)oc3c2O1 253664800 GDPHCYVELMTBIG-CFZJUORYSA-N 374.345 0.918 0 1 FCAF NC(=O)c1cccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 299870679 WRSVCFWOUOTELF-UHFFFAOYSA-N 370.413 0.311 0 1 FCAF Nc1nc(O)c2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2n1 586921466 AGYFHWWAUDFNIF-UHFFFAOYSA-N 359.411 1.146 0 1 FCAF CC(=O)N1C[C@H]2COCCN2C2(C1)CN(C(=O)Nc1ccc(F)cc1)C2 2356289268 SEYGEEBEPPFKNE-INIZCTEOSA-N 362.405 0.975 0 1 FCAF COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](n3cccn3)[C@H]2O)cc1 2356294489 CCEYELZFSJYGEE-OWYFMNJBSA-N 360.370 0.739 0 1 FCAF C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1 3048248 FKWZZFFTFBAIMR-ZBFHGGJFSA-N 373.519 0.970 0 3 FCAF O=c1[nH]c(=O)n(C[C@@H]2CCC[C@@H]2CO)cc1I 26153060 WXJHFEJWDNCTCM-JGVFFNPUSA-N 350.156 0.550 0 1 FCAF CCCCCCNc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]1 40440484 YRFCNNWEMPTGEQ-WOPDTQHZSA-N 351.407 0.753 0 1 FCAF CN(C)[C@@H]1CCN([C@H]2CS(=O)(=O)N[C@H]2COCc2ccccc2)C1 254048481 YLTSVTUNIZTHCA-IKGGRYGDSA-N 353.488 0.509 0 1 FCAF COc1ccc(C=CC(=O)O[C@@H]2[C@H](C)O[C@H](O)[C@@H](OC(C)=O)[C@H]2O)cc1 2356498022 GWYPCEPXZGWZNI-RWHSVOALSA-N 366.366 0.650 0 1 FCAF CO[C@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(COC(C)=O)=C31)O2 2356734925 JQPHXJKBQIJDAY-DUOKCRBOSA-N 368.382 0.714 0 1 FCAF Cc1cn(CC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)c(=O)[nH]c1=O 61936491 OXARRFFGOHAZOI-ZDUSSCGKSA-N 356.382 0.046 0 3 FCAF O=C(NC[C@H]1CCCO1)c1nc2n(Cc3ccc(F)cc3)[nH]nc-2c(=O)n1 103946045 DTYXZSUPDNIPAJ-GFCCVEGCSA-N 372.360 0.562 0 3 FCAF O=C(O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)O 3938670 QXWVJRPYHOYHHT-QWRGUYRKSA-N 354.315 0.005 0 1 FCAF in-vitro COCC(=O)N[C@@H]1CCN2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]2C1 25189165 LRBDKNSUMJFFFI-HIFRSBDPSA-N 359.382 0.951 0 1 FCAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@](CO)(CN[C@H]1CCS(=O)(=O)C1)O2 587409212 HFAZLUOTCYCYAY-MEDUHNTESA-N 354.428 0.050 0 1 FCAF CCCN1C(=O)[C@H]2[C@H](CCN2C(=O)C(=O)O)N(Cc2cccs2)C1=O 25228969 BASZMNOZOUHQBR-NWDGAFQWSA-N 365.411 0.976 0 1 FCAF biogenic C[C@@H]1CN(C)C(=O)Cc2cc(N)ccc2O[C@H]1CN(C)S(C)(=O)=O 95662558 MUGXWVJQQJYAGS-ABAIWWIYSA-N 355.460 0.558 0 1 FCAF O=C(Cc1ccccn1)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO 95906346 ZBZATYGIRVPWKB-KZNAEPCWSA-N 373.453 0.827 0 1 FCAF C[C@@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O 96095129 CCDLUYBTWPYEFY-UBSAYSOTSA-N 358.431 0.637 0 1 FCAF in-vitro CC(=O)N[C@@H](CS[C@H](CC(=O)O)[C@H](O)CCCCCO)C(=O)O 238755373 OLDWUSIYSZEWIY-QJPTWQEYSA-N 351.421 0.066 0 1 FCAF CC(=O)N(Cc1cn(C(=O)c2ccccc2)nn1)[C@H]1CC(=O)[C@@H]2OC[C@H]1O2 1911583163 BHRQTUWMRJOWOE-YXJHDRRASA-N 370.365 0.398 0 1 FCAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NC3CCC3)[C@H](O)[C@@H]2O1 2356293534 IHMIJZVJBCLYQU-PLPKTUSISA-N 355.435 0.039 0 1 FCAF NCCCC[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O 13835661 BWAPUKBOGBNVIL-NSHDSACASA-N 360.461 0.203 0 1 FCAF COC1=CC(=O)[C@]2(CC[C@]34C(OC)=C(OC)C(=O)C[C@]23CCN4C)[C@@H]1O 14413773 BUBCJFLNVLBOBA-OWYHZJEWSA-N 363.410 0.778 0 1 FCAF biogenic CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CNc3cccs3)[C@H]2SC1 29556122 MNEKATNCWUDWON-ZWNOBZJWSA-N 353.425 0.919 0 1 FCAF Nn1c(CS(=O)(=O)C2=NNC[C@@H]2c2ccc(Cl)cc2)n[nH]c1=S 40425429 PKSDNBRVXDBSML-SECBINFHSA-N 372.863 0.923 0 1 FCAF OC[C@H]1O[C@@H](c2nc(-c3cccc4ccccc34)no2)[C@H](O)[C@@H](O)[C@@H]1O 62178963 FYINMXLPXNEBNK-IBEHDNSVSA-N 358.350 0.405 0 1 FCAF C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C 95859766 WAHUPRWPWKVPJH-SQWLQELKSA-N 353.467 0.364 0 1 FCAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586958612 KCWPLRORDWVRCU-ZDUSSCGKSA-N 368.806 0.839 0 1 FCAF CN1C(=O)[C@H]2C[C@H](O)CN2C2(CN(Cc3cnc4ccccc4c3)C2)C1=O 2356567229 MUYHVMVQANLDOQ-DOTOQJQBSA-N 366.421 0.223 0 1 FCAF CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1 95887003 XDZVHRLWUJKWQZ-APIJFGDWSA-N 369.487 0.731 0 1 FCAF Cn1c(=O)cnn(CCCCN2CCN(c3cccc(O)c3)CC2)c1=O 137062836 DUEKXOTYEGSGSH-UHFFFAOYSA-N 359.430 0.250 0 1 FCAF COC(=O)c1cn([C@@H]2CO[C@H]3[C@H]2OC[C@H]3NC(=O)c2ccc(C)cc2)nn1 2356862498 VBOVIXFWDIGPMH-FPCVCCKLSA-N 372.381 0.510 0 1 FCAF OC[C@@H]1O[C@@H](n2cnc3c(N[C@@H]4C[C@H]5CC[C@@H]4C5)ncnc32)[C@@H](O)[C@@H]1O 36272139 YKPCEENRZZBDMC-VDMRVFBYSA-N 361.402 0.038 0 1 FCAF COCCNC(=S)NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCOCC1 43526753 CBWHGWZXBNXNQD-OWCLPIDISA-N 356.536 0.140 0 1 FCAF biogenic C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@@H]5C[C@@H](C(C)(C)C)[C@@H]3C(=O)O[C@]4(C(=O)O5)[C@]21O 101075359 LYDSQQARURFTGF-QRRXIPHGSA-N 350.367 0.572 0 1 FCAF Cn1c(CC(=O)N2CCc3c(F)cccc32)nc(N2CCOCC2)cc1=O 115072476 OMJXZMRXCULIQB-UHFFFAOYSA-N 372.400 0.888 0 1 FCAF CN(C)S(=O)(=O)c1cccc2nc(CCOCCOCCN)[nH]c12 587245612 BMRAHMDKCTXCPF-UHFFFAOYSA-N 356.448 0.348 0 1 FCAF C[C@@H](O)[C@H](N)C(=O)NC/C=C/Cn1cnc2cc(Cl)c(F)cc2c1=O 1857535221 SHYPXUKNCSJCSK-XKKUMHBKSA-N 368.796 0.570 0 1 FCAF O=C1[C@H]2C[C@@H](O)CN2C2(CN(CC3CC3)C2)C(=O)N1Cc1ccccc1F 2356290870 DALWIKKLXQWUQJ-NVXWUHKLSA-N 373.428 0.594 0 1 FCAF CCOc1c(N2CC[C@H](N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 28884475 MBXPBQAHLCCZOV-VIFPVBQESA-N 363.393 0.287 0 1 FCAF CO[C@]12OC(=O)C(CO)=C1C[C@@H]1[C@H](COC(C)=O)[C@@H]3C[C@@H]3[C@]1(C)[C@H]2O 2356420838 OUJYYGQZMSBQBK-KTQONEAISA-N 352.383 0.391 0 1 FCAF CCCCN1C[C@@H](N2CCN(C(=O)c3ccco3)CC2)CS1(=O)=O 72136375 ZVXQFCYRDSCRKR-CQSZACIVSA-N 355.460 0.852 0 3 FCAF CCOC(=O)[C@H](O)[C@@H](O)C(=O)NCc1ccc(C(=O)c2ccccc2)cc1 1645903 KMIFGTJBQUYBBJ-QZTJIDSGSA-N 371.389 0.819 0 1 FCAF CC/C=C/C[C@@H]1[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)CC[C@@H]1CC(=O)O 14947830 GJZJZRWFRZFTEE-GNZQVCAISA-N 374.430 0.029 0 1 FCAF endogenous,in-man CN(C)S(=O)(=O)OC[C@@]12OC[C@H]3OC(C)(C)O[C@H]3[C@H]1OC(C)(C)O2 27993417 RKJMBQKJKRDATB-BIAAXOCRSA-N 367.420 0.208 0 1 FCAF O=C1NC(Nc2cc(Cl)cc(Cl)c2)=N[C@H]2[C@H]1N=CN2COCCO 29488576 WETBFVKWNHDVAK-VXGBXAGGSA-N 372.212 0.896 0 1 FCAF COC(=O)Cn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)CCN2 82204470 NRYZAZNKMQOSJC-UHFFFAOYSA-N 360.370 0.229 0 1 FCAF O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CC1 95675152 LATIXEUUNJKTQG-OAGGEKHMSA-N 352.431 0.130 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(F)c(F)cc2[nH]1)C(=O)O 587222754 UCVRCRHXGPSAPP-IUCAKERBSA-N 370.312 0.145 0 1 FCAF C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCc1cccnc1 618012365 DCMWSQVQQUSBBZ-YEWWUXTCSA-N 353.426 0.948 0 1 FCAF COC(=O)CNC(=O)c1ncc(-c2cn(Cc3ccccc3)nn2)cc1O 1857638415 OMRYYLWKJHISCY-UHFFFAOYSA-N 367.365 0.997 0 1 FCAF CN1C[C@@H](NC(=O)c2cnccn2)CCC[C@@H](C(=O)NC2CC2)CC1=O 2356762017 RRDMUYXSOIWLNR-OCCSQVGLSA-N 359.430 0.502 0 1 FCAF Cc1ncc(COP(=O)(O)O)c(CN[C@@H](C)P(=O)(O)O)c1O 2047885 WHDCJKAOZPBUAY-SSDOTTSWSA-N 356.208 0.318 0 1 FCAF in-vivo CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCNC3=O)C(=O)N2 3814469 WMQIUOQRRYSKMG-GHXNOFRVSA-N 372.406 0.701 0 1 FCAF COC(=O)[C@H](O)CS[C@H]1CC(=O)O[C@@H](C)CCCCC[C@@H](O)C1=O 14636820 VZIWNOAEUWFTFJ-LOWDOPEQSA-N 362.444 0.838 0 1 FCAF CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCC(O)CC1)N2C 35442578 IAIAWCBQSJWOIQ-LESCRADOSA-N 366.506 0.031 0 1 FCAF biogenic C[C@]1(F)[C@@H](n2cc(Br)c3c(N)ncnc32)O[C@H](CO)[C@H]1O 73197208 WXYRZJQNSGJMMZ-RMEKTUJTSA-N 361.171 0.755 0 1 FCAF OC[C@H]1O[C@@H](c2nc(-c3ccc4ccccc4c3)n[nH]2)[C@H](O)[C@@H](O)[C@@H]1O 96273225 FJYFMJBUCUOYNH-IBEHDNSVSA-N 357.366 0.140 0 1 FCAF OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4C[C@@H]5CC[C@@H]4C5)ncnc32)[C@H](O)[C@@H]1O 101212186 YKPCEENRZZBDMC-AVEWUGLUSA-N 361.402 0.038 0 1 FCAF in-vivo N[C@H](CCC1=CN2[C@H](O)CCC[C@@H]2[C@@H]2CC[C@H](C(=O)O)N=C12)C(=O)O 2356458689 QZIKSFZYBSPTFJ-RYMFRWLXSA-N 351.403 0.553 0 1 FCAF O=C(NCC1(COc2cccnc2)C[C@H](O)[C@@H](O)C1)C1CCOCC1 2356608471 QEVBVJWGBKOLGQ-HOTGVXAUSA-N 350.415 0.505 0 1 FCAF CCN(C(C)C)S(=O)(=O)c1ccc(-n2ncc(=O)[nH]c2=O)cc1C 26023287 YNURZGCISQDPNQ-UHFFFAOYSA-N 352.416 0.648 0 1 FCAF COCc1cn([C@@H]2CO[C@@H]3[C@@H](NC(=O)COc4ccccc4)CO[C@@H]32)nn1 36366733 RQMCZMQSTJYFGK-BURFUSLBSA-N 374.397 0.327 0 1 FCAF biogenic COc1ccc(Nc2ncnc3c2ncn3[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 48999775 DHSVZMSVSTXYCS-GDLHICMESA-N 373.369 0.190 0 1 FCAF Cc1nccn1-c1nccc(N2CCC(CCNS(N)(=O)=O)CC2)n1 71280797 FFLAASVAQNIHJV-UHFFFAOYSA-N 365.463 0.370 0 1 FCAF C=CN1CC[C@H]([C@]2(C)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)C1=O 963211538 CDXYRQBXTLPSAP-LDBIXWDDSA-N 369.425 0.375 0 1 FCAF CN(c1nc(Nc2cnn(C)c2)ncc1Cl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c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O 26152839 LMVMTILZHMGOKP-WSLQDRLSSA-N 350.329 0.864 0 1 FCAF CC(C)C[C@H](NC(=O)NCC(=O)O)C(=O)NC[C@H](N)Cc1ccccc1 40950842 OTGWTOLMVBQYRD-CABCVRRESA-N 364.446 0.471 0 1 FCAF COc1ncccc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2ccno2)C1 96110968 DAMDJNJPBQLBJU-KDOFPFPSSA-N 358.398 0.957 0 1 FCAF Cc1cc(N)ncc1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1 115820699 NUKVTPRZKNCJIW-UHFFFAOYSA-N 357.418 0.497 0 1 FCAF CON1C(=O)[C@@]2(C[C@@H]3NC(=O)[C@H]4[C@@H]3CO[C@@H]2[C@@H]4OC(C)=O)c2ccccc21 238750940 ZPQZZXCFLMFYOG-VTSKZAQASA-N 372.377 0.297 0 1 FCAF O=C(C[C@H]1COC[C@H]2CN(C(=O)c3cccnc3)C[C@@H]12)N1CCOCC1 299843751 XNBCGHLJLXDWTC-BBWFWOEESA-N 359.426 0.665 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cncc(Cl)c2[nH]1 587216918 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CCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]c(=O)ccc1C 40952012 QJBWEYVKEFPJIO-AWEZNQCLSA-N 355.394 0.730 0 1 FCAF CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1 95885281 LKURNHMJNKZKIW-LUKYLMHMSA-N 368.474 0.839 0 1 FCAF CCC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)N3CCCCC3)CC[C@H]21 95887033 WDQUBADRRQMLDS-NXOAAHMSSA-N 368.474 0.935 0 1 FCAF C[C@@H](CO)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13C2=O 95912265 SJRJGAPYISMVCG-AZJJBGAYSA-N 374.389 0.284 0 1 FCAF biogenic,in-vitro COc1ccccc1CN1C[C@H](O)CN(S(=O)(=O)C(C)C)CC1=O 105849137 PCDYCQWODOMORZ-AWEZNQCLSA-N 356.444 0.439 0 1 FCAF C[C@H]1CC=CC(=O)[C@@H](O)[C@@H](O)C[C@H]2O[C@@H]2c2cc(O)cc(O)c2C(=O)O1 253916227 TVTWZJGIBKNRLB-NQSBFKGYSA-N 364.350 0.724 0 1 FCAF CCNC(=O)N1CC[C@@H]2CC(=O)N(CCN3CCOCC3)CC[C@@H]2C1 2356313190 UNSFLKZPSKVBAS-HZPDHXFCSA-N 352.479 0.609 0 1 FCAF CC=C(CO)C(=O)OCC1=CCN2CC[C@@H](OC(=O)C=C(C)CO)[C@@H]12 2356496338 UXGHWAJPUICCQU-NVXWUHKLSA-N 351.399 0.333 0 1 FCAF CC[C@@H]1C(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)OCC(=O)O 27631182 FJUAITMXDTYKCB-AAEUAGOBSA-N 355.368 0.549 0 1 FCAF O=C(O)CCNC(=O)Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12 29047321 ZKVLUJHJXSPUEE-UHFFFAOYSA-N 371.238 0.398 0 1 FCAF C[C@@H](C(N)=O)n1c(=O)n(Cc2ccccc2)c(=O)n(-c2ccccc2)c1=O 64705093 JPTPKLIHACSZAB-ZDUSSCGKSA-N 366.377 0.256 0 1 FCAF CC[C@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(CC(=O)OC)c2=O)N1 82207433 KZPMMRPXCTVYAH-LBPRGKRZSA-N 374.397 0.705 0 1 FCAF CC(=O)N1c2ccccc2[C@@]23CCN4CC5=CCO[C@@H](O)[C@@H]([C@H]12)[C@H]5C[C@]43O 238745895 PUJKWIWAZJFXEM-LWYOMJABSA-N 368.433 0.979 0 1 FCAF COc1ccc(C(=O)NCC2(COc3cnccn3)C[C@@H](O)[C@H](O)C2)cc1 2356298389 ALVXSIIJPGOYHE-HZPDHXFCSA-N 373.409 0.796 0 1 FCAF CS[C@]12CC3=CC=C[C@H](O)[C@@H]3N1C(=O)[C@]1(Cc3ccccc3O1)NC2=O 2356718301 QFWGYIKIPBTLBM-LZBRWLDZSA-N 370.430 0.965 0 1 FCAF CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CC=C(C)C)c1 38794591 GVWZZKUSNVNWGC-UJWQCDCRSA-N 366.410 0.577 0 1 FCAF Cc1ccccc1C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O 45299702 AFWIBASTEPPBBZ-RRFJBIMHSA-N 360.366 0.659 0 1 FCAF COC[C@@]1(C)O[C@](C)(n2cnc3c(N)nc(N)nc32)[C@](C)(F)[C@@]1(C)O 95535567 XYXLEDFLDFKMQJ-KBXIAJHMSA-N 354.386 0.578 0 1 FCAF CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@@H]2CN(c3ncccn3)C[C@H]12 96250965 PVJPIBNGZJXFME-BFHYXJOUSA-N 352.460 0.488 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccnc(Cl)c2[nH]1 587216955 AAHUSGXLZCSALK-HTRCEHHLSA-N 369.765 0.435 0 1 FCAF CC=C1C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN3C[C@H](O)[C@@H](OC1=O)[C@@H]23 2356501813 NPYPUYCITBTPSF-HCDGYZIZSA-N 351.399 0.164 0 1 FCAF CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCN2CCOCC2)C1=O 20136501 NCFQEMQEUXYLCI-INIZCTEOSA-N 361.442 0.947 0 3 FCAF O=C1N[C@@H]2CCN(C(=O)N3CCOCC3)[C@@H]2C(=O)N1Cc1ccccc1 4260729 UPUCGWICDRUAGJ-CABCVRRESA-N 358.398 0.634 0 1 FCAF biogenic COc1ccc(/C=C2\NC(=O)N(C[C@@H](O)CN3CCN(C)CC3)C2=O)cc1 95598698 DOVFAEZALAEPCN-ZCQLHAAUSA-N 374.441 0.196 0 1 FCAF 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C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)N1 587834263 RDYGSNMRYVVLSB-GVBAAPDGSA-N 364.211 0.239 0 1 FCAF COc1cc(C=CC(=O)O[C@@H]2C[C@](C)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O 2356365233 IEMKPSWSRBUZGD-JDIZFGSQSA-N 366.366 0.932 0 1 FCAF CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](OC=O)[C@H]2SC1 26569566 LLYOLDMIYYKKTF-WCQYABFASA-N 357.384 0.602 0 1 FCAF COC[C@@]1(C)O[C@@](C)(n2cnc3c(Cl)nc(N)nc32)[C@](C)(O)[C@]1(C)O 95535440 XKRFLXDKZNEDAS-KBUPBQIOSA-N 371.825 0.672 0 1 FCAF CN(C)CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO 95907823 SFZNPDWWPXCWOM-ZACQAIPSSA-N 369.506 0.659 0 1 FCAF CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(S(C)(=O)=O)n3)n2n1 1772577884 RWVARJSWZIIHSJ-JTQLQIEISA-N 362.415 0.773 0 1 FCAF O=C1CCc2c(cccc2N2CCN(C[C@@H](O)CN3CCOCC3)CC2)N1 1857606225 WNYGAUSVGLZESM-MRXNPFEDSA-N 374.485 0.386 0 1 FCAF CC[C@@H](C)C(=O)OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O 2356348952 NHVGUAJCULYBFP-WPVRVZCUSA-N 356.371 0.168 0 1 FCAF O=C(NC[C@@]1(COc2cccnc2)C[C@H](O)[C@H](O)C1)N1CCOCC1 2356687085 CUFACYWEJYRFLD-QLPKVWCKSA-N 351.403 0.004 0 1 FCAF O=C1N[C@H]2CCN(C(=O)N3CCOCC3)[C@H]2C(=O)N1Cc1ccccc1 25411835 UPUCGWICDRUAGJ-LSDHHAIUSA-N 358.398 0.634 0 1 FCAF biogenic CC[C@H]1Cn2c(c(NCc3ccccc3)c(=O)n(CC(=O)OC)c2=O)N1 82207414 ZSJIIDDIEALHCV-ZDUSSCGKSA-N 358.398 0.999 0 1 FCAF C[C@@H](/C=C/[C@@H]1[C@@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 100783909 NLPBBNGDXNHAJP-PBQQWWLISA-N 372.458 0.389 0 1 FCAF endogenous,in-man CCO[P@](=O)(OC[C@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1)C(N)=O 169347853 YYIWPMAUMHFKEN-IGSRQBSMSA-N 359.275 0.624 0 1 FCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3Cc4ccccc4C3)[C@H](O)[C@@H]2O1 2356738376 MAFJTZXTPXJDPE-GCGJSEPQSA-N 374.481 0.946 0 1 FCAF COCCN1C(=O)C[C@]2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12 14976548 SAONJOAPEKBPNW-INIZCTEOSA-N 366.757 0.414 0 1 FCAF CC(C)C[C@H](CO)NC(=O)[C@@H]1O[C@@H]2CN(Cc3ccccc3)C(=O)[C@H]1O2 95558920 YLFMGINTBAGZCH-TWMKSMIVSA-N 362.426 0.662 0 1 FCAF CN(C)CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO 95903482 LVRYKZWFXWGZBN-OAGGEKHMSA-N 355.479 0.269 0 1 FCAF N[C@@H](Cc1cnc[nH]1)C1=N/C(=C\c2ccc(O)cc2)C(=O)N1CC(=O)O 217753153 FIDPOCJZDAHCBZ-FGFBTAOXSA-N 355.354 0.352 0 1 FCAF in-vitro CN(CC(=O)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)C(=N)N 653722053 RDNLPQHRCVVMOB-UHFFFAOYSA-N 365.393 0.834 0 1 FCAF Cc1noc(C)c1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cc(Cl)cn2)[C@H]1O 2356295392 HHNLGFUPCOAVLW-MRLBHPIUSA-N 354.794 0.957 0 1 FCAF Cc1ccc2nc3c(c(=O)n2c1)C=C(C(N)=O)[C](N)N3CCCOC(C)C 2356847342 QGYMPSNPPNKOIL-UHFFFAOYSA-N 370.433 0.955 0 1 FCAF COCC(=O)N1CCN(C(=O)c2ccc(N(C)C)cc2)C[C@@H]1C(=O)OC 3842118 ZERCMMNMEQHTKQ-OAHLLOKOSA-N 363.414 0.225 0 1 FCAF biogenic N[C@@H](Cc1ccc(-c2ccc(C[C@H](N)C(=O)O)cc2O)c(O)c1)C(=O)O 12496723 FHOZGLMQYMAREG-KBPBESRZSA-N 360.366 0.674 0 1 FCAF endogenous,in-man CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@H]3C[C@@H](O)[C@@H](O)[C@@]2(C)[C@H]31 238787926 LOODUNLGAJOCST-HSBZJPQWSA-N 350.367 0.351 0 1 FCAF C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCc1cccnc1 618012363 DCMWSQVQQUSBBZ-JCKWVBRZSA-N 353.426 0.948 0 1 FCAF O=C(O)Cn1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 957921594 LTIWADXJAJGINQ-UHFFFAOYSA-N 351.384 0.656 0 1 FCAF NC(=O)c1cccc2[nH]c(C(=O)N3CC[C@@H](NC4CCNCC4)C3)nc12 1857628056 OZBWCCYLAWANAW-GFCCVEGCSA-N 356.430 0.218 0 1 FCAF CC(=O)NCC1(COc2ccc(S(C)(=O)=O)cc2)C[C@H](O)[C@@H](O)C1 2356298682 SVFTZLJXELOSNR-GJZGRUSLSA-N 357.428 0.107 0 1 FCAF CC1(C)CC[C@H](O)[C@@]2(CO)[C@@H]3CC[C@@H]4[C@@H](CO)C(=O)[C@@]3([C@@H](O)C[C@H]12)[C@H]4O 2356674433 HYXNSCPSOANLKF-QECFZVGVSA-N 368.470 0.092 0 1 FCAF CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)O 2356696312 TVYWVSJGSHQWMT-XGUBFFRZSA-N 372.510 0.589 0 1 FCAF CN1CCOC[C@@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 14979421 BGXZYEOFLCTRQZ-GFCCVEGCSA-N 362.361 0.548 0 1 FCAF COc1ccc(CN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 28873951 ZGQIYAQWSSKRDG-UHFFFAOYSA-N 355.398 0.853 0 1 FCAF O=C(NCCc1c[nH]cn1)c1ccc(S(=O)(=O)N[C@@H]2CCOC2)cc1 91931518 VPKHEPCTIWZKSD-CQSZACIVSA-N 364.427 0.449 0 1 FCAF Cc1nc(N)c2c(-c3cccs3)cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 103249500 MBXKQOCZAJRIDW-RVXWVPLUSA-N 362.411 0.662 0 1 FCAF Nc1cc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2cn1 587226656 DMLQWTGCCHXJSD-UHFFFAOYSA-N 354.370 1.083 0 1 FCAF CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O 2356799811 UWOBQRKCCVXFIG-IKGGRYGDSA-N 373.453 0.955 0 1 FCAF NC(=O)c1cn(C[C@@H]2C[C@H]3CCN2C[C@@H]3C(=O)Nc2ccccc2)nn1 2356857348 SHKSLLSWHNCPSU-SNPRPXQTSA-N 354.414 0.726 0 1 FCAF O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)C3CC3)CN21)Nc1ccccc1 15708051 INGOIVLHDURUHN-BBWFWOEESA-N 370.453 0.873 0 1 FCAF biogenic CO[C@H]1N([C@@H]2C[C@H](F)[C@@H](CO)O2)C(O)=NC(=O)[C@]1(C)Br 27107874 DUICDJHBRPQIQD-NCGICRJXSA-N 355.160 0.314 0 1 FCAF Cc1cc2ncn([C@@H]3O[C@@H](COP(=O)(O)O)[C@H](O)[C@H]3O)c2cc1C 53683450 ZMRGXEJKZPRBPJ-IGQOVBAYSA-N 358.287 0.382 0 1 FCAF in-vivo Cc1ccc(Cc2cnc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)s2)cc1 58591281 UTUZNIFVHYKKTH-IBEHDNSVSA-N 351.424 0.557 0 1 FCAF C[C@@H]1O[C@@H](Oc2cc3c4c(c2O)C(=O)CC[C@H]4CCC3)[C@@H](O)[C@H](O)[C@@H]1O 64549969 AOIGBPILPIRSSI-LFTOYHNESA-N 364.394 0.995 0 1 FCAF CC1=C(CC[C@@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1 86031262 UJRMJTIXXKZFGB-PBOZTAHASA-N 374.474 0.469 0 1 FCAF in-man C[C@@](O)(/C=C/[C@H]1CC=CC(=O)O1)[C@H](O)C[C@@H](O)/C=C\C=C\C=C\CO 169301155 KTHVJFIZRQNFEZ-ILNXSNOISA-N 350.411 0.938 0 1 FCAF COC1CN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 221327031 YDFVEZRMDIJHTR-RYUDHWBXSA-N 355.402 0.328 0 1 FCAF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(C(=O)O)cc3[nH]2)c1 586937358 ZBDBLHQQCZIKOT-UHFFFAOYSA-N 374.378 0.692 0 1 FCAF N[C@@H](CCC[P@](=O)(O)[C@H](O)c1ccc(OCC(=O)O)cc1)C(=O)O 1772609537 RNMXJELGVYONGD-FZMZJTMJSA-N 361.287 0.603 0 1 FCAF O=C(CCc1nnc2ccc(N3CCOCC3)nn12)NCCN1CCCC1 6867975 YRFNGLSCWAHAEG-UHFFFAOYSA-N 373.461 0.106 0 1 FCAF C[C@H]1OC=C2[C@H]3C[C@]4(O)N(CC[C@@]45c4ccccc4N(C(=O)CO)[C@@H]25)C[C@H]31 85831167 ANOVIMPDPXPRPK-QGFBEMNOSA-N 368.433 0.979 0 1 FCAF O[C@H]1[C@@H](NC2CCOCC2)C[C@@H](Cn2cc(-c3cccnc3)nn2)[C@H]1O 2356290111 JRIDSKJXCXCQRK-PLYYQAHHSA-N 359.430 0.219 0 1 FCAF O=S(=O)(NC[C@@H]1OC[C@H](NCc2ccccn2)[C@@H]1O)c1ccccc1 2356292567 UDFXVZXPZSIPGP-ULQDDVLXSA-N 363.439 0.278 0 1 FCAF C[C@@H]1NC(=O)[C@@H]2C[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)CCN2C1=O 2356320859 SEVQKVWRHHXCHP-GAFUQQFSSA-N 371.846 0.496 0 1 FCAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@]2(O)CCC(=O)C[C@H]12 2356664620 CHXZCHQYWMFUIG-WZPWBUNQSA-N 350.367 0.930 0 1 FCAF O=C1C=C[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@H]2[C@H](O)[C@H](O)C3=O 13312127 YENSFTGZHXXZLK-MDNKFWRPSA-N 366.325 0.720 0 1 FCAF biogenic CC(C)[C@H](C(=O)O)N1C(=O)[C@@H](NC(=O)COc2ccccc2)C[S@]1=O 26250325 HLGQZFUFTPQUJA-YSDYUQAISA-N 368.411 0.165 0 1 FCAF CN1CCN(C[C@](O)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)CC1 26837183 ANSCFCQCBHLZNY-PZJWPPBQSA-N 373.497 0.759 0 1 FCAF O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1cnccn1 95675860 DHOFHCIZNIPSHR-SQWLQELKSA-N 362.430 0.421 0 1 FCAF O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccccn1 95676179 CJRAIIYLTSRGNA-ZOBUZTSGSA-N 359.426 0.899 0 1 FCAF O=C(NCCN1CCNCC1)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3 103176204 BJJLVHMACGVSRC-UHFFFAOYSA-N 372.494 0.952 0 1 FCAF Nc1nc(NCCc2ccccc2)nc2c1ncn2[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 169366591 OZCCPYHYSIPRDM-AYRXBEOTSA-N 370.413 0.091 0 1 FCAF COC(=O)c1nonc1C(=O)N1CC(=O)N2CCc3ccccc3[C@H]2C1 299828393 JICHGBXONQFZRL-GFCCVEGCSA-N 356.338 0.438 0 1 FCAF Cc1c(F)ccc2nc(C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c12 587218340 GFWPKGVTLXFHOI-ONGXEEELSA-N 366.349 0.314 0 1 FCAF Cc1c(Oc2cnc(C(=O)N[C@@H](C)[C@@H](C)O)cn2)ccc2c1B(O)OC2 1772630639 JJKYAZXGJJPDDZ-WDEREUQCSA-N 357.175 0.294 0 1 FCAF Cc1noc(C)c1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cc(Cl)cn2)[C@H]1O 2356295398 HHNLGFUPCOAVLW-ZSAUSMIDSA-N 354.794 0.957 0 1 FCAF CO[C@@H]1OC(=O)[C@]2(C)[C@H](OC(C)=O)[C@]34CC(=O)O[C@]3(C)CC[C@]4(O)[C@@]12C 2356823711 GNYSLQWVMYNWSW-HRGASLGJSA-N 368.382 0.691 0 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C[C@H](CC[C@H]1[C@H](C)CC(=O)CC1(C)C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 70455062 KWYYUGZOATVEPK-IAENUDNTSA-N 374.474 0.613 0 1 FCAF biogenic,in-vitro CCNC[C@@H](Nc1ncnc2c1=CCCC=2C(N)=O)c1cccc(F)c1 166935195 SDKIMOPCSMIIJC-MRXNPFEDSA-N 355.417 0.589 0 1 FCAF CC(C)NC(=O)c1ccc2c(c1)=C(NNc1ccccc1C(=O)O)C(=O)N=2 200775611 QQHKTTUSBFISAO-UHFFFAOYSA-N 366.377 0.408 0 1 FCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(N4CC[C@H](O)C4)nc23)N1 205029286 SZCADTZMEPDOOE-KQDRGBMMSA-N 369.385 0.055 0 1 FCAF C/C=C1/C[C@@H](CO)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23 238746819 XVKRSUITGOSAJK-YQVVKJOQSA-N 351.399 0.165 0 1 FCAF N[C@@H](Cc1nc2ccc(Cl)cc2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587220288 RJXGRTNNRMUVGB-WPRPVWTQSA-N 368.777 0.520 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)ncc2[nH]1 587222502 YQOSIFPXDBCWEZ-RNFRBKRXSA-N 369.765 0.435 0 1 FCAF CC1(C)S[C@@H]2[C@H](NC(=O)COCC(F)(F)F)C(=O)N2[C@@H]1C(=O)O 2356497446 NRJZMVOJWZKXTE-ZXFLCMHBSA-N 356.322 0.197 0 1 FCAF 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0.991 0 1 FCAF O=C(NCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCNCC1 13833416 XJWYODLSDKYQSY-UHFFFAOYSA-N 370.413 0.788 0 1 FCAF CCO[P@@](=O)(OC[C@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)C(N)=O 27191173 YYIWPMAUMHFKEN-TWGICLRTSA-N 359.275 0.624 0 1 FCAF COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2CC1 29397102 SEYNORJWOGNWEX-HIFRSBDPSA-N 360.366 0.540 0 1 FCAF CC(=O)NCCNc1ncc(C(=O)N2CCOCC2)c(-c2ccco2)n1 82142232 UQBBNNRTWKQXQH-UHFFFAOYSA-N 359.386 0.757 0 1 FCAF CN(C)c1nc(Br)nc2c1ncn2[C@@H]1C[C@@H](O)[C@H](CO)O1 95564316 OMZXWZHPKIKTST-CSMHCCOUSA-N 358.196 0.296 0 1 FCAF CCNC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 95906545 SRPGMYIGJWTTHA-BMFZPTHFSA-N 368.455 0.484 0 1 FCAF CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2nc(O)ncc2C[C@]3(O)[C@@H]1C5 100840885 LCNCABZWEXDLGV-JFSXXWSZSA-N 353.378 0.807 0 1 FCAF N=C(N)NCCC[C@H](N)C(=O)NCC1CCN(Cc2ccccc2)CC1 299828730 SVNJDXGZPPWKTK-KRWDZBQOSA-N 360.506 0.605 0 1 FCAF CN(C)S(=O)(=O)CCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586932236 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142304730 XEFLPTQXULEBHZ-UHFFFAOYSA-N 367.413 0.701 0 1 FCAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@@H](O)[C@H](O)CO)N1 587829770 RDYGSNMRYVVLSB-CSHNMWLISA-N 364.211 0.239 0 1 FCAF CCOC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@@H](OC(=O)C=Cc2ccc(O)cc2)C1 2356501750 LYHVCPXPGNQUKX-KMCQBPLKSA-N 366.366 0.127 0 1 FCAF Nc1ccn(CCN2C(=O)CS[C@H]2COC(=O)c2ccccc2)c(=O)n1 3959125 YWUKYDLOYNLHKT-HNNXBMFYSA-N 374.422 0.584 0 1 FCAF CO[C@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@](SC)([C@@H](C)O)NC1=O 15258004 XBAWMOXUPDFOKQ-GPNNCHTKSA-N 363.439 0.739 0 1 FCAF biogenic CC(C)(C)OC(=O)NC[C@@H](OC(=O)[C@@H](O)CO)c1ccc2c(c1)OCO2 84668433 PZHCJPZJNGXFPY-SMDDNHRTSA-N 369.370 0.878 0 1 FCAF O=C1C[C@H](CCCO)C[C@@H]2[C@H]3CCCN4CCC[C@@H]([C@@H]34)[C@H](C(O)O)N12 85510700 MJPMVDBGPHPOQH-XOKCEWSPSA-N 352.475 0.550 0 1 FCAF biogenic,in-vitro CN(Cc1cccc(-c2cnc(N3CCO[C@@H](CO)C3)nc2)c1)C(=O)CN 143001401 UYJLLJSCJALZRB-QGZVFWFLSA-N 371.441 0.258 0 1 FCAF C[Si](C)(CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccccc1 170116781 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CN(C)C(=O)[C@@H]1N[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@H]1CO 95881633 HRNJAQRGDGXKJI-XYVMCAHJSA-N 371.412 0.994 0 1 FCAF CC1(C)[C@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O 238767064 BWMFRQKICHXLSH-KPEBFQPHSA-N 370.486 0.168 0 1 FCAF N[C@@H](Cc1nc2cc(F)c(F)cc2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587217996 DVFPOULNKXHXJN-IUCAKERBSA-N 370.312 0.145 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(F)c(F)cc2[nH]1)C(=O)O 587222751 UCVRCRHXGPSAPP-DTWKUNHWSA-N 370.312 0.145 0 1 FCAF O=S(=O)(NC[C@@H]1OC[C@@H](NCc2cccs2)[C@@H]1O)c1ccccc1 2356287349 HKMJUTNTNMVGOB-PMPSAXMXSA-N 368.480 0.945 0 1 FCAF CC1=C(C=C[C@@H](C)O)C(C)(C)C[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1 2356541178 QCWVLOHTLDDUEL-ZLAVIKKFSA-N 372.458 0.245 0 1 FCAF O=S1(=O)CCOC[C@H](CO)N1Cc1cccc(Br)c1 96019066 RSPOPRJTJGQUGZ-LBPRGKRZSA-N 350.234 0.972 0 3 FCAF N=C(N)c1ccc(N2CCC3(CCN(C(=O)CC(=O)O)CC3)C2=O)cc1 13560375 RGSHQJDHHICWNX-UHFFFAOYSA-N 358.398 0.791 0 1 FCAF CC1(C)C=C(C(=O)NCCNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)C(C)(C)N1 40503646 WJWCTZGJHRGMMB-QWHCGFSZSA-N 363.458 0.973 0 1 FCAF COC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(OC)cc2)[C@H](CO)O1 95675420 QXJDCVBLBQBSAR-CFVMTHIKSA-N 371.411 0.221 0 1 FCAF O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CC2)O1)NCC1CC1 95884807 SQIZVCZSVBGYDX-FJIDUMEYSA-N 352.475 0.922 0 1 FCAF CC[C@]1(C)C(=O)O[C@](C)(C(=O)OCC2=CCN3CC[C@@H](O)[C@@H]23)[C@@]1(C)O 238770186 RALLOVXBILCDJH-BSPHMWTBSA-N 353.415 0.388 0 1 FCAF CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587233803 ATABSWPFGLQXNJ-UONOGXRCSA-N 371.441 0.163 0 1 FCAF COc1ccc2c(c1O)[C@@]13CCN(C)[C@@]14C[C@@H]2O[C@]4(O)[C@@H](OC)[C@@H](O)C3 49088015 UHRGPVJRLXHZFG-OOXWPESWSA-N 363.410 0.656 0 1 FCAF in-vivo CN(C)C(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 95676566 XITZEOXYAYTYOD-YUELXQCFSA-N 356.444 0.352 0 1 FCAF COc1cc2c(C)c(CC(=O)NCCN(C)C)c(=O)oc2c(C=O)c1O 167946719 HPYJOSAFPDUGBW-UHFFFAOYSA-N 362.382 0.848 0 1 FCAF C=c1nns/c1=c1\[nH][nH]c(=O)\c1=C/c1cn(C)c2cccc(OC)c12 169719826 KOURYGDILKZASG-LNPFXYPVSA-N 353.407 0.581 0 1 FCAF O=C(CSC(=S)NN1CCOCC1)NCc1ccc2c(c1)OCO2 1772633335 UECJOGYRJOLAOM-UHFFFAOYSA-N 369.468 0.886 0 1 FCAF C[C@H]1CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356752977 KWYYUGZOATVEPK-IXHWPZICSA-N 374.474 0.613 0 1 FCAF CN1CC[C@@H]2[C@H]1C(=O)NC[C@@H](CCC(=O)NCc1cccs1)N2C 2356870417 XQXTUQBHNNAVQW-XPKDYRNWSA-N 350.488 0.647 0 1 FCAF COC(=O)[C@@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)C1CCNCC1 4270703 BWLKWKLGMOSRSD-INIZCTEOSA-N 374.441 0.904 0 1 FCAF biogenic O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1OCCN1CCN(c2ncccn2)CC1 28469385 BKUHRNRFWGGTNN-SYMSYNOKSA-N 369.425 0.337 0 1 FCAF OC[C@H]1O[C@@H](n2ncc3c(NCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 48999427 CBHCBQYAJCYMFS-ATNYBXOESA-N 371.397 0.092 0 1 FCAF CCCN[C@@H]1O[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)O)[C@@H](C)CC 70719339 VPFNOFSJVAOADU-WHRXGGIHSA-N 355.435 0.317 0 1 FCAF CCC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccccc2OC)O[C@H]1CO 95906030 TYONUPOIPWMRQR-ZOBUZTSGSA-N 362.426 0.912 0 1 FCAF O=S1(=O)C[C@H](N2CC=CC2)CN1Cc1cn(Cc2ccccc2)nn1 199211823 WCHONSIQKBUGDK-QGZVFWFLSA-N 359.455 0.712 0 3 FCAF Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1I 6524258 DPXBMYJQASAVRO-NTSWFWBYSA-N 355.157 0.011 0 1 FCAF CCCN(C)S(=O)(=O)c1c(C)cc(-n2ncc(=O)[nH]c2=O)cc1C 26022080 CXAQSPPUPGRVPQ-UHFFFAOYSA-N 352.416 0.568 0 1 FCAF NCCCC(=O)OCCOc1ccc2nc(S(N)(=O)=O)sc2c1 39138505 DLYMRYPWQHKBRC-UHFFFAOYSA-N 359.429 0.605 0 1 FCAF CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1 95887797 XUIBJKJBLJUMMA-LTIDMASMSA-N 368.474 0.791 0 1 FCAF CCC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO 95906900 DBGASRQPVRWBAG-XHSDSOJGSA-N 353.463 0.189 0 1 FCAF COC[C@@H]1CCCN1[C@@H]1[C@H](CNC(=O)c2cccs2)O[C@H](CO)[C@H]1O 2356845061 OAZKDTUMXGALOT-QZPUYBJASA-N 370.471 0.078 0 1 FCAF O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)C3CCCC3)C[C@H]12 2356865266 WKGXSBZOKRYKMT-IAGOWNOFSA-N 371.437 0.663 0 1 FCAF Nc1nc(N)n(CCOCP(=O)(O)O)c(=O)c1Cc1ccccc1 27558301 MKLUIQPJBXANHA-UHFFFAOYSA-N 354.303 0.150 0 1 FCAF COc1cc(C(=O)N[C@H]2C[C@@H](C(=O)O)N(C(C)=O)C2)cc(OC)c1OC 40898037 SMSVBYMJAZEGBX-RYUDHWBXSA-N 366.370 0.516 0 1 FCAF COc1ccc(OCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 95554712 GKLQWUMOVJBXFP-FCGDIQPGSA-N 369.458 0.394 0 1 FCAF CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CN(C(=O)CO)C[C@@H]43)cc2)C(=O)O1 101039603 HTFIWWATFHDKLR-LISAXSMJSA-N 373.409 0.312 0 1 FCAF N#Cn1c(CC(=O)N2CCc3ccccc32)nc(N2CCOCC2)cc1=O 216045660 YEIDCTABJBHIEF-UHFFFAOYSA-N 365.393 0.541 0 1 FCAF Cc1ncoc1C(=O)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 299850719 JJDBPWAWKIPQES-UPJWGTAASA-N 359.373 0.650 0 1 FCAF CCCCN[C@@H]1N[C@H]2[C@H](C(=O)NC(=O)N2C)N1CC(=O)c1ccc(C)cc1 618016449 DNNXVTWYCOBNJF-JFIYKMOQSA-N 373.457 0.633 0 1 FCAF Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N4CCOCC4)C3)sc2n1 3958985 OGHOUNGKCYALAC-LBPRGKRZSA-N 363.443 0.535 0 3 FCAF O=P(O)(O)C(O)(C[n+]1cccc2cc(Cl)ccc21)P(=O)(O)O 13643043 FLQDUYUVMPAJMU-UHFFFAOYSA-O 368.626 0.782 0 1 FCAF O=c1ccn([C@H]2CC[C@@H](CO[P@](=O)(O)Nc3ccccn3)O2)c(=O)[nH]1 72119746 REHAJVZIZGNLQZ-GXFFZTMASA-N 368.286 0.838 0 1 FCAF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOC[C@H]1C[C@@H]2CC[C@@H]1C2 102824571 ORIVNKPQMLSBHK-YOLPFRQPSA-N 357.491 0.369 0 1 FCAF Nc1ncnc2[nH]c(CNC(=O)CNC(=O)OCc3ccccc3)nc12 587227449 NBQPVKBUHFJTOR-UHFFFAOYSA-N 355.358 0.478 0 1 FCAF CC[C@H]1CC[C@H](CC)N1C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O 27883898 JYEFPZPGDOKWJK-JQPXUNLUSA-N 353.419 0.365 0 1 FCAF C[C@@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)C[C@H](O)[C@H](C)[C@@H]42)[C@@]13C 56874716 HQUSKUTUDDZKOD-IAMZQLSYSA-N 368.470 0.247 0 1 FCAF in-vitro N[C@H](CC(=O)N1C[C@H]2CNC(=O)C[C@H]2C1)Cc1cc(F)c(F)cc1F 59096965 HAZZFWDTWPHGPG-TUAOUCFPSA-N 355.360 0.958 0 1 FCAF in-vivo OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC/C=C/CCOc1cc(F)ccc1F 95552899 GVLOFQNHTJNYKR-AGKLRGHISA-N 373.396 0.439 0 1 FCAF C[C@@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)CC[C@@](C)(O)[C@@H]42)[C@@]13C 100777997 SHKTYUCWKCFSRV-KUHWDPJSSA-N 368.470 0.391 0 1 FCAF endogenous,in-man COC1=N[C@](OC)(C(C)C)C(=O)N[C@@]1(OC)[C@H](O)c1ccc(O)cc1 2356322940 DQRHVFZNTZMXLH-XOKHGSTOSA-N 352.387 0.942 0 1 FCAF C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1 13803116 POPLTANACXUDAZ-UKRRQHHQSA-N 353.463 0.984 0 1 FCAF O=C1c2cc3c(c(O)c2C(=O)c2c(O)ccc(O)c21)[C@]1(O)C[C@@H](O)O[C@H]1O3 15147584 FBPGRTYADYGYRG-GMCXQERESA-N 372.285 0.224 0 1 FCAF biogenic CC(C)C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H]1CC(=O)O[C@H]1O 26746073 IQUVUZFLISFKHB-AKPJOCRFSA-N 360.410 0.981 0 1 FCAF CCOC(=O)CNC(=O)C1=NO[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C1 36184795 YBEHPAMVUHRZNF-ZCFIWIBFSA-N 366.214 0.666 0 1 FCAF CCOC(=O)[P@@](=O)(O)OC[C@H]1O[C@H](n2ccc(N)nc2=O)CS1 40447567 KPSFSKZFNZNTMH-IUCAKERBSA-N 365.304 0.772 0 1 FCAF COc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CC(=O)O)O[C@H]2CO)cc1 95906553 JTWZAMNSSOCUJO-BNOWGMLFSA-N 359.400 0.357 0 1 FCAF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCO[C@@H]1C[C@H]2CC[C@H]1C2 138854213 FOTVFAVEZDZRSD-RRGAYKJSSA-N 357.491 0.511 0 1 FCAF Oc1cc(O)cc(CCc2ccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc2)c1 299821858 MSDXBTDNMRUSQP-HCXYKTFWSA-N 362.378 0.701 0 1 FCAF CCOC(=O)CCOCCCOCCc1nc2c(O)nc(N)nc2[nH]1 587570345 WAJVQTUPQCYMFZ-UHFFFAOYSA-N 353.379 0.560 0 1 FCAF C[C@@]1(c2ccc(Cl)nn2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963200604 FETXGSSNVHHYNY-PSVSLLHZSA-N 372.816 0.875 0 1 FCAF COC[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)CCC1=O 1772657296 HFHULOZWHQBMLS-HNNXBMFYSA-N 363.389 0.638 0 1 FCAF NCCNc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O 13755816 XCKNQXMOVDHCKO-UHFFFAOYSA-N 370.434 0.784 0 1 FCAF CC(=O)NCCN1CC[C@H]2CN(C(=O)CCC(=O)O)CC[C@H]2CC1=O 15672879 YIYCFZHCEKKZIQ-KBPBESRZSA-N 353.419 0.074 0 1 FCAF biogenic C[C@H]1C[C@@H]1COc1nc(N)c2ncn([C@@H]3O[C@H](CF)[C@@H](O)[C@H]3O)c2n1 73223038 YCQVVJDIRKJRDL-QAOIKSKESA-N 353.354 0.032 0 1 FCAF CCCNC(=O)c1c(=O)[nH]n2c(=O)cc(-c3ccc4c(c3)OCO4)[nH]c12 204406686 AWFHJKDXOGJLNP-UHFFFAOYSA-N 356.338 0.851 0 1 FCAF CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2cc[nH]c(=N)n2)c1 1857636539 CUSYDQAXIWAAEA-ZDUSSCGKSA-N 363.443 0.734 0 1 FCAF COCc1cc(C[C@@H]2CC[C@@H](O)[C@H](CNC3CCN(C)CC3)O2)no1 2356744775 IHXNMOSSSRYEMY-JQHSSLGASA-N 353.463 0.956 0 1 FCAF CC1(C)C=C(C(=O)NC[C@@H](O)CN2C(=O)c3ccccc3C2=O)C(C)(C)N1 40640151 ZCFVMRSSDATJKL-GFCCVEGCSA-N 371.437 0.847 0 1 FCAF CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(N)c2)[nH]c1=O 113069421 SBILNYDKUPDFPI-SFGFDRCGSA-N 351.410 0.324 0 1 FCAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586939941 UVMHLXUKAKFJRW-YFKPBYRVSA-N 356.799 0.143 0 1 FCAF CCC[C@@H]1OC(=O)[C@H](OC(=O)C=CC=CC(=O)O)CCC=C[C@H](O)[C@@H]1O 2356872296 YRGCJBDRHWBHRN-ZJOBFFGXSA-N 368.382 0.879 0 1 FCAF O=S1(=O)N=C(N2CCN(c3ccnc(CO)n3)CC2)c2ccccc21 13472149 COYRNPAIVRDSDV-UHFFFAOYSA-N 359.411 0.240 0 1 FCAF CC1(C)N=C(N)N=C(N)N1c1cccc(N2C(N)=NC(N)=NC2(C)C)c1 29466688 HSYPGTAACMRDLC-UHFFFAOYSA-N 356.438 0.058 0 1 FCAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cccc(S(N)(=O)=O)c2[nH]1 587255768 QONCTVLGUGEMQQ-SECBINFHSA-N 354.432 0.812 0 1 FCAF CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@@H]1C(=O)N1CCOCC1 2356407640 GZOQHJSCUWHXNF-IAGOWNOFSA-N 361.442 0.806 0 1 FCAF C[C@@]12CC(=O)[C@@]3(O)[C@@](O)(CC[C@@H]4C(=O)c5c(O)cccc5[C@H](O)[C@]43O1)C2 2356479695 ZXJRSMKDYMUFOX-MSDQOEOMSA-N 360.362 0.385 0 1 FCAF CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O 2356799813 UWOBQRKCCVXFIG-ULQDDVLXSA-N 373.453 0.955 0 1 FCAF CN(CCO)C(=O)c1nc[nH]c1C(=O)N1CCN(c2ccccc2)CC1 199355179 AJEOSBJWLLZVLU-UHFFFAOYSA-N 357.414 0.436 0 3 FCAF OCCN(CCO)CCn1cnc2c(NCc3ccccc3)ncnc21 1647089 SYQYHCGSXCEBDV-UHFFFAOYSA-N 356.430 0.725 0 1 FCAF CCc1cc(=O)oc2c(C)c(OC(=O)NCC(=O)NCC(=O)O)ccc12 49808276 NRAFYXBZHCSKNH-UHFFFAOYSA-N 362.338 0.953 0 1 FCAF COCC(=O)N1CC2(CN[C@H](CO)c3c2c2ccc(OC)cc2n3C)C1 95795924 CTQQCQCLEOAMEL-CQSZACIVSA-N 359.426 0.550 0 1 FCAF CCN(C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)COC)S(C)(=O)=O 95895884 JMXAVHBHXJKRLD-BFYDXBDKSA-N 370.471 0.270 0 1 FCAF C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@@H]5C[C@@H](C(C)(C)C)[C@H]3C(=O)O[C@]4(C(=O)O5)[C@]21O 101075357 LYDSQQARURFTGF-GNSIUTKTSA-N 350.367 0.572 0 1 FCAF C[C@@H](/C=C/[C@@H]1[C@@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238770611 NLPBBNGDXNHAJP-MOIINWMTSA-N 372.458 0.389 0 1 FCAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc12 586932432 OTRGXIGYHFOAQC-UHFFFAOYSA-N 369.428 0.456 0 1 FCAF CCOC(=O)[C@@H](c1ccc2c(O)nc(O)nc2n1)[C@@H]1CCS(=O)(=O)C1 587562910 MSCKYWRMYUUJSV-LDYMZIIASA-N 367.383 0.517 0 1 FCAF O=C(O)COCC(=O)N1CC[C@@H](C(=O)Nc2cc(Cl)ccc2O)C1 2356290572 WUDOUVDVGGAZOQ-SECBINFHSA-N 356.762 0.934 0 1 FCAF COC[C@@H]1C[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)[C@H](O)[C@@H]1O 2356293480 HXVFEEZFTFMMKU-KNDHEWATSA-N 369.361 0.740 0 1 FCAF COc1cc(O)c2c(c1)[C@H](O)[C@@H]1[C@H](C[C@H](OC(C)=O)[C@@](C)(O)[C@@H]1O)C2=O 2356579984 JOCYAISYJVQQMF-RKUNSBQVSA-N 366.366 0.310 0 1 FCAF O=C(O)CCC(=O)N[C@@H]1CO[C@H]2[C@@H](n3nnnc3-c3ccccc3)CO[C@@H]21 2356855293 RBRQIMISOFIZLN-KOZAUXTDSA-N 373.369 0.028 0 1 FCAF OC[C@@H]1O[C@H](CNCc2ccccn2)[C@@H](N2CCc3ccccc3C2)[C@@H]1O 2356876115 ZVIAYFNQXFYLQJ-PLACYPQZSA-N 369.465 0.719 0 1 FCAF COC(=O)[C@H]1CN(C(=O)CSC)CCN1C(=O)c1ccc(OC)cc1 25412583 GIEKBTSNYSGBJH-CQSZACIVSA-N 366.439 0.884 0 1 FCAF biogenic C[C@@H](CC(=O)O)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1 26468372 POPLTANACXUDAZ-DZGCQCFKSA-N 353.463 0.984 0 1 FCAF CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(COC(C)=O)C[S@@](=O)[C@H]12 26505325 NNIUGIKAJGEYIP-UDWROGOWSA-N 359.400 0.091 0 1 FCAF COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 35907025 MEKSQRMXWZHFIP-UHFFFAOYSA-N 373.457 0.553 0 1 FCAF in-vitro CN(C)S(=O)(=O)N1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1 40861510 YKVNCVKRDCRGHE-UHFFFAOYSA-N 351.432 0.648 0 1 FCAF CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC(=O)O)s2)cc1 66074357 MLPKHIZTCNEFGI-UHFFFAOYSA-N 356.385 0.924 0 1 FCAF 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BCJMNZRQJAVDLD-NDSMPIIESA-N 351.399 0.165 0 1 FCAF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(CCO)cc3[nH]2)c1 586935950 LDCWFUMGXJESIE-UHFFFAOYSA-N 374.422 0.528 0 1 FCAF CNC(=O)[C@H](c1ccccc1F)N1CCC[C@H]1C(=O)N1CCN(C)CC1 2356454083 YEIRIXSFKTYSTO-IRXDYDNUSA-N 362.449 0.851 0 1 FCAF COC(=O)C[C@@H]1C[C@]2(C(=O)O)c3cccc(O)c3C(=O)[C@]2(O)[C@H](C)O1 2356802871 WMPAAULYGKVKLY-RFMXWLSYSA-N 350.323 0.383 0 1 FCAF COC(=O)[C@H]1COCCN1C(=O)CS(=O)(=O)c1ccc(C(C)C)cc1 28863778 FGWVQDBQZSKHFQ-OAHLLOKOSA-N 369.439 0.984 0 1 FCAF CN1C(=O)[C@@H]2[C@H](N=C(N3CCCNCC3)N2Cc2ccccc2)N(C)C1=O 36350334 BLGUSSSWRVVDJB-JKSUJKDBSA-N 370.457 0.372 0 1 FCAF O=S(=O)(c1ccc2nc(CC3OCCO3)[nH]c2c1)N1CCOCC1 586909291 WTESQYLARYUXPH-UHFFFAOYSA-N 353.400 0.499 0 1 FCAF CC(=O)O[C@@H]1CC[C@H](C)O[C@]12OCC1=C(CC(=O)[C@]1(C)O)[C@H]2OC(C)=O 2356418854 YSZSEYNPMYSAEI-KZUPLPQCSA-N 368.382 0.796 0 1 FCAF COC1=C(Br)[C@@H](O)[C@@](O)(CC(N)=O)C=C1Br 2356835189 KPHMWCROXZHPKY-BDAKNGLRSA-N 356.998 0.499 0 1 FCAF CCOC(=S)NCc1ccc(O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 6019171 JOSHUAQJVMGTGS-XNHWVXRISA-N 357.428 0.304 0 1 FCAF endogenous,in-man NC(=O)C(=O)N1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)[C@@H]2C1 33761645 FPYXHUAIWBIOAX-ZDUSSCGKSA-N 368.349 0.037 0 1 FCAF biogenic CC[C@H](C)[C@H](NC(=O)c1ccccc1N)C(=O)N[C@@H]1CCC(=O)NC1=O 45374924 SFNLQFSZDHFXBC-ZBINZKHDSA-N 360.414 0.335 0 1 FCAF CCCCCSc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49015597 MJXVVJCFFUTTFA-CGEWXTDFSA-N 354.432 0.720 0 1 FCAF CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]2[C@]1(O)[C@@H]3O 238774282 HVRXIIBZQVCBAF-ONLCKWRESA-N 358.394 0.576 0 1 FCAF Cn1ccc2c1c1c(-c3ccoc3)ncnc1n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1857610111 PGNXUGRHMLWNMG-NFBAFIMDSA-N 370.365 0.795 0 1 FCAF CCCCCC=CC1=C(CO)[C@@H]2OC(C)(C)[C@H](O)C[C@]2(O)[C@@H](O)[C@@H]1O 2356326703 YIJNGBSLCYIZDT-GJGATLCTSA-N 356.459 0.807 0 1 FCAF CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3ccc4c(c3)OCO4)CO[C@@H]12 25228540 DNPHHSBRSXGNQB-QOWREQOWSA-N 364.354 0.426 0 1 FCAF biogenic O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CC1 95794483 PPIWCRMZBWEMRU-XHSDSOJGSA-N 354.447 0.354 0 1 FCAF O=C([C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2)N1CCc2ccccc2C1 95881545 WCVQZBWBNHVCOB-YKCBXCCJSA-N 365.433 0.684 0 1 FCAF CN(C)CC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO 95903483 LVRYKZWFXWGZBN-PMPSAXMXSA-N 355.479 0.269 0 1 FCAF NC(=O)[C@H](N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 96909255 RDMYFZKEWPNJHO-JKSUJKDBSA-N 370.409 0.410 0 1 FCAF O=C1[C@@H]2[C@@H](C(=O)N1OCCN1CCN(c3ncccn3)CC1)[C@H]1C=C[C@H]2C1 101023853 BKUHRNRFWGGTNN-VGWMRTNUSA-N 369.425 0.337 0 1 FCAF COc1ccccc1N1CCN(CCN2C(=O)C[C@H](NC(C)=O)C2=O)CC1 101211403 FQOYQKRUODGFJV-HNNXBMFYSA-N 374.441 0.081 0 1 FCAF Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC(O)C3)c2c1=O 115626063 NLUALKBMCNCOGN-UHFFFAOYSA-N 367.409 0.799 0 1 FCAF COC(=O)[C@H](O[C@H]1CC[C@@H](n2cc(C)c(O)nc2=O)C1)P(=O)(O)O 263621159 VZWKSNLNIFIGPO-VDDIYKPWSA-N 362.275 0.044 0 1 FCAF in-vitro O=C(Oc1c[nH]c2ccccc12)[C@@H]1O[C@](O)(C2(O)CCCC2)[C@@H](O)[C@@H]1O 2356295202 UMOMPTVKPMWVRV-BSXFFOKHSA-N 363.366 0.188 0 1 FCAF O=C(NC[C@@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)N1CCOCC1 2356454625 RDBGWJMZLAGRHA-PMPSAXMXSA-N 353.394 0.085 0 1 FCAF CC(C)NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO 95908199 DMROSRCUXVWXJU-JYJNAYRXSA-N 371.478 0.535 0 1 FCAF O=C1Nc2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2C1=O 103229763 RQCUTXHKWJPTCR-UHFFFAOYSA-N 372.406 0.727 0 1 FCAF Cc1cc2nc(C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2cc1F 587219784 LPVGOEMQIHMRAL-UWVGGRQHSA-N 366.349 0.314 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc(F)c(F)c2[nH]1)C(=O)O 587223531 WMZLHCKPOAGKJV-CBAPKCEASA-N 370.312 0.145 0 1 FCAF CC[C@H](C)[C@H](N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)O 2356396282 GLYJPWIRLBAIJH-DGAVXFQQSA-N 356.467 0.049 0 1 FCAF O=C(O)C[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H]1Cc2ccccc2OC1=O 5957051 SCGLMVDHEVZHRE-IUCAKERBSA-N 374.271 0.155 0 1 FCAF CC(=O)c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(CC=C(C)C)c1 14489185 GVWZZKUSNVNWGC-BRIYLRKRSA-N 366.410 0.577 0 1 FCAF endogenous,in-man Cc1c2c(=O)n(CCN3CCOCC3)[nH]c2cc(=O)n1Cc1ccccn1 64454129 XMRUVYQDUHQGKP-UHFFFAOYSA-N 369.425 0.575 0 1 FCAF COCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@H](C(C)C)N2 82224161 WXPLSEAKEKIXEW-CYBMUJFWSA-N 373.413 0.754 0 1 FCAF Cn1ccc2c3c(-c4ccco4)ncnc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c21 1857594787 IBPLBIMREGLWNO-XKLVTHTNSA-N 370.365 0.795 0 1 FCAF COC(=O)CC[C@@H]1CNC(=O)[C@H]2[C@H](CCN2Cc2ccc(O)cc2)N1C 2356816170 CYKQONKOUNCLMN-UWWQBHOKSA-N 361.442 0.719 0 1 FCAF CS(=O)(=O)N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(C4CCCC4)n3)CO[C@@H]12 25432825 WMMHTLLCNKBCQY-YJNKXOJESA-N 368.459 0.630 0 1 FCAF biogenic COC(=O)[C@H](CC(C)C)N1C[C@H]2O[C@H](C(=O)N3CCCCC3)[C@H](O2)C1=O 95561444 MNTZQPYJSPFTGX-AJNGGQMLSA-N 368.430 0.539 0 1 FCAF COC(=O)[C@@H](CC(C)C)N1C[C@H]2O[C@H](C(=O)N3CCCCC3)[C@H](O2)C1=O 95561961 MNTZQPYJSPFTGX-QPSCCSFWSA-N 368.430 0.539 0 1 FCAF O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1cnccn1 95675488 DHOFHCIZNIPSHR-IIAWOOMASA-N 362.430 0.421 0 1 FCAF CCC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2ccccc2OC)O[C@@H]1CO 95906033 TYONUPOIPWMRQR-ZMSDIMECSA-N 362.426 0.912 0 1 FCAF COc1cc(/C=C\C(=O)N2CCN(CC(N)=O)CC2)cc(OC)c1OC 195767287 XYTAECWKEOUFOT-PLNGDYQASA-N 363.414 0.355 0 1 FCAF CC[C@@]1(C)C(=O)O[C@@H]2CCN3C[C@H](O)[C@@H](COC(=O)[C@@H](C)[C@]1(C)O)[C@H]23 238784485 PBNZHFUUVMKYRC-CERIUAPYSA-N 355.431 0.323 0 1 FCAF COCCN1C(=O)CO[C@@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)C[C@@H]21 2356286287 HKPNKQGRPGFNSS-JKSUJKDBSA-N 368.455 0.148 0 1 FCAF CNC(=O)[C@H](Cc1ccccc1)N1CCC[C@H]1C(=O)N1CCN(C)CC1 2356298809 CJDWHNJDGAKLRF-ROUUACIJSA-N 358.486 0.582 0 1 FCAF O=C1N[C@H](CO)C(=O)N[C@H](c2ccccc2)CC(=O)N2C(Cl)=CC[C@@H]12 2356384384 HYCDAFKGSCALDQ-XQQFMLRXSA-N 363.801 0.406 0 1 FCAF CC1(C)[C@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O 5496930 BWMFRQKICHXLSH-FXTQVXFWSA-N 370.486 0.168 0 1 FCAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC[C@H](O)CO 29333226 NGDAQDUJJTXLSR-LLVKDONJSA-N 359.854 0.726 0 1 FCAF CCOC(=O)CCc1nc2nc(N3CCN(C(C)=O)CC3)ccc2[nH]c1=O 82231427 UQEMOWJNSBMZNN-UHFFFAOYSA-N 373.413 0.482 0 1 FCAF CNC[C@@H]1Oc2ncc(-c3cncnc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C 95729777 XMDYYAUDBQXAQZ-IGCXYCKISA-N 371.441 0.978 0 1 FCAF C[C@@H](/C=C/[C@@H]1[C@@H](C)CC(=O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 100783913 NLPBBNGDXNHAJP-QWBCUTJYSA-N 372.458 0.389 0 1 FCAF endogenous,in-man CC(C)O[P@@]1(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@@]3(CCO3)[C@@H]2O1 205769660 ZVXLMFSJVYERMI-SACLFFDRSA-N 374.286 0.542 0 1 FCAF Cn1ccnc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cnc3ccccc32)[C@@H]1O 2356315443 ZWYPEUPFEUDGDJ-FGTAOJJYSA-N 355.398 0.585 0 1 FCAF O=c1[nH]c(=O)n(C[C@H]2CCC[C@H]2CO)cc1I 26153040 WXJHFEJWDNCTCM-SFYZADRCSA-N 350.156 0.550 0 1 FCAF C[C@H]1CN(C)C(=O)Cc2cc(N)ccc2O[C@@H]1CN(C)S(C)(=O)=O 95662869 MUGXWVJQQJYAGS-XHDPSFHLSA-N 355.460 0.558 0 1 FCAF CN(C)C(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 95676281 XITZEOXYAYTYOD-CFVMTHIKSA-N 356.444 0.352 0 1 FCAF O=C(C[C@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)NC1Cc2ccccc2C1 95887227 VINMFOKKSKWMTO-ZSYWTGECSA-N 360.454 0.557 0 1 FCAF C=C1NN=C(SCC(=O)Nc2cc(OC)ccc2OC)N(N)C1=O 957853723 JVEWSKQCWMNPHM-UHFFFAOYSA-N 351.388 0.466 0 1 FCAF CS(=O)(=O)CCNC(=O)c1cccc(COc2cc(CN)ncn2)c1 1857595686 DZHGSSRMMFVIOJ-UHFFFAOYSA-N 364.427 0.289 0 1 FCAF CN(CCc1ccccn1)[C@@H]1[C@H](CNC2CCCCC2)O[C@@H](CO)[C@@H]1O 2356861671 ULNYZSQQGAUODV-HAGHYFMRSA-N 363.502 0.967 0 1 FCAF O=C(c1ccco1)N1CCN([C@H]2CN(C3CCCC3)S(=O)(=O)C2)CC1 72136090 XXAFZQIKPAWSAR-HNNXBMFYSA-N 367.471 0.994 0 3 FCAF COc1ccc2c(c1O)[C@@]13CCN(C)[C@@]14C[C@@H]2O[C@@]4(O)[C@@H](OC)[C@@H](O)C3 85508056 UHRGPVJRLXHZFG-AMTPKYOQSA-N 363.410 0.656 0 1 FCAF biogenic,in-vitro Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(S(N)(=O)=O)nc1 98209166 FSPCZTCUVKLQSU-UHFFFAOYSA-N 370.412 0.548 0 1 FCAF in-vitro CC(C)C[C@@H](C(=O)OC(C)C)S(=O)(=O)c1ncn(C(=O)N(C)C)n1 103179231 BRDWVMOFQXZCQM-NSHDSACASA-N 360.436 0.948 0 1 FCAF CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@@H](CNCc1ccccn1)N2CCC 618015442 IDYXMJRWWHDPCU-IKGGRYGDSA-N 374.489 0.859 0 1 FCAF C[C@H]1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O 653861804 RWELMBQGCLVKOE-OCFCULJLSA-N 366.454 0.456 0 1 FCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCCCC3)[C@H](O)[C@@H]2O1)N1CCOCC1 2356318755 VIXRDHONYHPAKS-MQOOWTBDSA-N 368.474 0.443 0 1 FCAF NC(=O)CO[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@H]12 5434155 KIZUFPBNAGVHSQ-RBDSIQFVSA-N 362.411 0.654 0 1 FCAF biogenic CCOC(=S)NCc1ccc(O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)cc1 6385456 JOSHUAQJVMGTGS-JZLHEVAFSA-N 357.428 0.304 0 1 FCAF in-man COC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)CCCCCCC1 29320493 MAISXRLFRPRMQC-RYUDHWBXSA-N 371.434 0.065 0 1 FCAF COc1cc(C(=O)O[C@H](C)[C@H]2C(=O)N/C2=C\C(=O)O)cc(OC)c1O 35966093 BOMHVOYLXZWITG-XHYRXRPHSA-N 351.311 0.669 0 1 FCAF CCC(=O)[C@]12N[C@H]3C[C@@]4(C(=O)N(OC)c5ccccc54)[C@H](OC[C@H]31)[C@@H]2O 40975655 KCKQVEIIPULRFW-SAAOQMMJSA-N 358.394 0.302 0 1 FCAF C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@]2(O)CC[C@@](C)(O)[C@@H]42)[C@]13C 257541090 SHKTYUCWKCFSRV-GDTVPJNKSA-N 368.470 0.391 0 1 FCAF endogenous,in-man O=C(O)C[C@]1(O)C[C@H](O)[C@H](O)[C@@H](OC(=O)C=Cc2ccc(O)cc2)C1 2356594732 GJZFYEMLDRKGMP-PYTWLRIVSA-N 352.339 0.039 0 1 FCAF NC(=O)c1cn(C[C@@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccccc2)nn1 2356866864 WIBYAKXSFTXXLB-PMPSAXMXSA-N 368.441 0.404 0 1 FCAF COc1cccc(O[C@@H]2O[C@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@@H]2NC(C)=O)c1 12776366 KKDNZDNZSHFBCX-QUSNUVHPSA-N 367.398 0.816 0 1 FCAF CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 20533060 LFGGJUZKMJECQN-INIZCTEOSA-N 372.535 0.449 0 1 FCAF NC(=O)c1ccc2c3c1O[C@H]1[C@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 40828144 YQOPEESTHCLTGK-JBJCYXPGSA-N 370.449 0.711 0 1 FCAF CCOc1ccc(-c2ncnc3c2ncn3[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 48998127 IULQPOKHLWSFNZ-YMCQQKJTSA-N 372.381 0.504 0 1 FCAF Cc1ccc(S(=O)(=O)n2c3c([nH]c2=O)C(C(N)=O)=NC(C)(C)N3)cc1 64504087 SOORHUULOLTBMO-UHFFFAOYSA-N 363.399 0.158 0 1 FCAF CCOC(=O)O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34 66066000 VGVRMQIJEPJUKU-NHOPFSRNSA-N 352.431 0.994 0 1 FCAF CCC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccc(OC)cc2)O[C@@H]1CO 95908172 XXVQYUMJVNBNLA-YESZJQIVSA-N 362.426 0.912 0 1 FCAF Cc1ccc(-[n+]2noc(O)c2CN2CCN(CCOCCO)CC2)cc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c3cc4c(O)nc(O)nc4nc3C[C@H]2C[C@@H]1C(=O)O 587558351 RADJAMDNWLFWTQ-QOSJWCAFSA-N 374.353 0.692 0 1 FCAF CC1(C)CCC[C@@]23C(=O)O[C@@]4([C@H](O)C(=O)[C@H]12)[C@@H]1[C@H](CO)[C@@]1(C)CC[C@]34O 2356415284 GKARPIJLSMMCSR-UELLJPGSSA-N 364.438 0.808 0 1 FCAF CC(C)CC(=O)c1c(O)cc(O)c2c1O[C@]1(C2)OC[C@H](O)[C@@H](O)[C@H]1O 2356618748 GEENITLHYWQDTC-JFOHDYCDSA-N 354.355 0.071 0 1 FCAF COc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](N3CCCC3)[C@H]2O)c1 2356871970 YNFBLLKUVOSSCB-NRKLIOEPSA-N 363.414 0.766 0 1 FCAF O=C1N[C@@H]2C(=C[C@H](O)[C@H]3O[P@@](=O)(O)O[C@@H]23)c2cc3c(cc21)OCO3 40380455 YZCFTNGGRSALRW-KKBFJBPOSA-N 353.223 0.170 0 1 FCAF CC1(C)CN(CCS(=O)(=O)CCCS(=O)(=O)O)C(=O)N1Cl 69061726 APEOZPISDQPPJC-UHFFFAOYSA-N 362.857 0.349 0 1 FCAF CC(C)(C)c1cc2nc3n(c(O)c-2n1)[C@H](C(=O)N[C@H]1CC(=O)O[C@H]1O)CC3 101032341 JFXZWAZFKMNDQZ-FJHFEUQMSA-N 374.397 0.623 0 1 FCAF Oc1ccc2c3c1O[C@H]1C4(CC[C@@]5(O)[C@H](C2)N(CC2CC2)CC[C@]315)NN4 195229912 PPIOVCQBGJKBCK-KLIQENQMSA-N 355.438 0.760 0 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CCC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO 95676365 FOYMHNRGVNUWHD-ARFHVFGLSA-N 355.479 0.413 0 1 FCAF CN1[C@H]2C[C@H](OC(=O)c3cccn3C)C[C@@H]1[C@@H](O)[C@H]2OC(=O)c1ccc[nH]1 138517942 RJIOYVYRNVCWLC-UFRBAHOGSA-N 373.409 0.942 0 1 FCAF CO[C@@H]1[C@@H](O)[C@H]2c3cc4c(cc3CN3CC=C([C@H]23)[C@H]1OC(C)=O)OCO4 238752412 ZSBTUKLLIQZDGR-ZWJWXYIHSA-N 359.378 0.944 0 1 FCAF O=C1C=CC(=O)[C@]23O[C@]12[C@H](O)[C@@H]1O[C@@H]1C31Oc2cccc3cccc(c23)O1 14636323 OSNKKJLNXMIUHW-PJVZLEMVSA-N 364.309 0.665 0 1 FCAF biogenic COC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)CN1CCOCC1 26772296 YOEOUUIWJBIAAY-QGZVFWFLSA-N 357.410 0.926 0 1 FCAF biogenic O=C(OC[C@H](O)Cn1cc(CN2CCOCC2)nn1)C1CCCCC1 73197301 DBVKIUVGWKPCHI-MRXNPFEDSA-N 352.435 0.595 0 1 FCAF COC[C@@]1(C)O[C@](C)(n2cnc3c(N)nc(N)nc32)C(C)(C)[C@@]1(C)O 95535419 XOJCHPFHGGCCBT-OAGGEKHMSA-N 350.423 0.876 0 1 FCAF COc1cc2c(C)c(CC(=O)N3CCN(C)CC3)c(=O)oc2c(C=O)c1O 165117988 IVYWKPSFCMBFBX-UHFFFAOYSA-N 374.393 0.945 0 1 FCAF 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WMPAAULYGKVKLY-YCLQXWMPSA-N 350.323 0.383 0 1 FCAF CC(C)N1CC[C@@H]2[C@@H]1C(=O)NC[C@@H](CCC(=O)NCc1ccco1)N2C 2356863197 UPXIZCXMASRJTJ-QGPMSJSTSA-N 362.474 0.958 0 1 FCAF CCN1CCN(CCNC(=O)c2cn(Cc3ccccc3F)nn2)CC1 22574825 FEWUWWBUFNUPFS-UHFFFAOYSA-N 360.437 0.833 0 3 FCAF CC(C)=CCc1cc(C(=O)O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14489227 ZTHSABILDCCHJR-QXUSFIETSA-N 368.382 0.072 0 1 FCAF endogenous,in-man CC(C)C[C@H](CO)NC(=O)[C@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2 95563687 YLFMGINTBAGZCH-WCXIOVBPSA-N 362.426 0.662 0 1 FCAF CS(=O)(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)O)O[C@@H](CO)[C@H]1O2 95793986 DHTDTXXESPFODJ-RNKJKDHYSA-N 357.384 0.527 0 1 FCAF O=C(O)/C=C(\C(=O)O)[C@]12CCN3CC4=CCO[C@@H]5CC(=O)N[C@@H]1[C@H]5[C@H]4C[C@H]32 263601369 LBAWZETUMGOMOM-OZOBBJJJSA-N 374.393 0.006 0 1 FCAF CC1=C[C@H]2O[C@@H]([C@@H]3[C@H](C(C)C)[C@H](O)[C@H](O)[C@](C)(O)[C@H]23)[C@](C)(O)CC[C@@H]1O 2356317019 KPHNYICDDSOROS-ITIHMFBRSA-N 370.486 0.597 0 1 FCAF O=S1(=O)C[C@@H](N2CC=CC2)CN1Cc1cn(Cc2ccccc2)nn1 199211804 WCHONSIQKBUGDK-KRWDZBQOSA-N 359.455 0.712 0 3 FCAF COC(=O)[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C1CCNCC1 25429070 RVEIWNJZLOMZKL-MRXNPFEDSA-N 359.426 0.512 0 1 FCAF biogenic C[N+]1=CNC[C@]1(C)C[C@@H](NC(=O)c1cc(Br)c[nH]1)C(=O)O 26385712 SUQOMBNELBOXBZ-MFKMUULPSA-O 358.216 0.383 0 1 FCAF CNC[C@H]1Oc2ncc(-c3cncnc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C 95667749 XMDYYAUDBQXAQZ-IIYDPXPESA-N 371.441 0.978 0 1 FCAF CC(=O)N1[C@H](C(=O)NC2CCCCC2)[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]21 95880582 FKIDDDUSUBVZFQ-SAKMYQHLSA-N 373.453 0.807 0 1 FCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@@H](O)[C@H](O)CO)N1 587830729 UJWHGAUUAGNGBG-YHXZKMNWSA-N 364.211 0.239 0 1 FCAF C[C@@H]1[C@H]2CC[C@@H]3[C@@]45CCCC(C)(C)[C@@H]4[C@H](O)[C@@](O)(OC5=O)[C@@]3([C@@H]1O)[C@@H]2O 2356336051 HZXNJXNYQASOMR-WLIQVEHJSA-N 366.454 0.803 0 1 FCAF CCO[C@@H]1O[C@H](COC(=O)C=Cc2ccc(O)c(OC)c2)[C@H](O)[C@@H]1O 2356413663 HTLKTNFLIXKECI-BSWAZPDLSA-N 354.355 0.440 0 1 FCAF NCc1cn(C[C@@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccc(F)cc2)nn1 2356862157 UXIIUROJLKAMMG-JLSDUUJJSA-N 372.448 0.903 0 1 FCAF CN(C)[C@@H]1CN(Cc2cn(Cc3ccc(F)cc3)nn2)S(=O)(=O)C1 96021018 UZJZBRUDPYVQEE-OAHLLOKOSA-N 353.423 0.541 0 3 FCAF CN(C(=O)C[C@@H](N)CCCCN)[C@H]1CNC(Nc2ccccc2)=NC1=O 26577518 VOKBHZHJLWLGEJ-ZFWWWQNUSA-N 360.462 0.258 0 1 FCAF N[C@H]1CCN(c2c(F)c(F)c3c(=O)n(N)c(=O)n(C4CC4)c3c2F)C1 28884584 YWSUCUHCADKMQR-LURJTMIESA-N 355.320 0.167 0 1 FCAF N=C(N)NCCC[C@H](N)C(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)O 49067541 QMIIBADMYAXZSD-WFASDCNBSA-N 372.429 0.096 0 1 FCAF O=C1CN(C2CCOCC2)CCN1C[C@@H](O)CN1CCc2ccccc2C1 209707943 AGRYWKQZCPSHMB-FQEVSTJZSA-N 373.497 0.729 0 1 FCAF O=C(N1CCOCC1)N1CCN2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 4270855 ZIFMTVFQAWCZHU-CQSZACIVSA-N 350.419 0.720 0 1 FCAF biogenic O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3)CN21)NC1CC1 12530533 YYSJKGFHDWCWNZ-BBWFWOEESA-N 370.453 0.417 0 1 FCAF biogenic CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](OC(C)=O)[C@H]2SC1 26569832 RDSXBOPLSOTLLZ-GXTWGEPZSA-N 371.411 0.992 0 1 FCAF Cc1ccc(-c2cc(N)n(-c3nc4c([nH]3)c(=O)n(C)c(=O)n4C)n2)cc1 102977327 NIRFZBFWBQKPAE-UHFFFAOYSA-N 351.370 0.704 0 1 FCAF O=C1C[C@H](O)[C@@H]2c3ccc(O)c4c3[C@@](O)(c3ccc(O)c1c32)[C@H](O)CC4=O 2356720281 VJWXYPUJILLMFB-KRHOHVSHSA-N 368.341 0.674 0 1 FCAF C[N+]1=C(N)NC2=C3CCCC[C@H]3n3c(=O)n(-c4ccccc4)c(=O)n3[C@H]2C1 203471394 UVQCLDTXQJXOOW-CABCVRRESA-O 367.433 0.285 0 3 FCAF CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](F)[C@H]2S(=O)(=O)C1 26502405 VSYKZWIGGRBTBF-JOYOIKCWSA-N 363.363 0.080 0 1 FCAF COCC(=O)N1C[C@H]2CNC[C@@]2(C(=O)NCc2cccc3[nH]ccc23)C1 67842082 ZUGBBUUQBJHMSK-AUUYWEPGSA-N 356.426 0.479 0 1 FCAF O=C1c2cc3nnn(CCn4cccn4)c(=O)c3cc2O[C@@H]2CCCN12 72127937 UKHQNHFLDCSECI-OAHLLOKOSA-N 352.354 0.643 0 1 FCAF CC[C@@]1(C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@@H]23 238781965 UWVWNXIKNRJZDC-FGPFUNDFSA-N 353.415 0.388 0 1 FCAF CC=C1C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN3C[C@@H](OC1=O)[C@H](O)[C@@H]23 2356559948 QBXXZMDYXQHARQ-JHYRJPARSA-N 351.399 0.164 0 1 FCAF COCc1cc(C[C@@H]2CC[C@H](O)[C@H](CNC3CCN(C)CC3)O2)no1 2356744776 IHXNMOSSSRYEMY-SZMVWBNQSA-N 353.463 0.956 0 1 FCAF NC[C@H]1CC[C@H]2CN(c3cc4nc(-c5ccco5)nn4c(N)n3)CCN2C1 13585763 KTTCVAOWXLLINN-OLZOCXBDSA-N 368.445 0.826 0 1 FCAF CC(=O)NC[C@H]1O[C@H](SC/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O 27767375 VYDGPJBFVVSXTH-WBLNGSAUSA-N 353.440 0.377 0 1 FCAF CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O 28654979 FSIVAWBKYORDEB-PJODQICGSA-N 373.457 0.169 0 1 FCAF COCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(Cl)cc1 40952161 BGIFZFZXRLDKGM-CABCVRRESA-N 353.850 0.963 0 1 FCAF NC(=O)[C@H](CO)NC(=O)C[S@](=O)C1c2ccccc2-c2ccccc21 84757617 MRYUWFABNNNLOY-ODCWNRFASA-N 358.419 0.468 0 1 FCAF COC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2F)[C@H](CO)O1 95676616 CZGVFFSNBHAYON-RTXFEEFZSA-N 359.375 0.352 0 1 FCAF CC(=O)CCC1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C 95912308 BJFKUIUNGGPCAB-SGSCGOSXSA-N 372.458 0.677 0 1 FCAF biogenic,in-vitro C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@@H](O)[C@H](O)CO)N1 587830723 UJWHGAUUAGNGBG-RWEPNEDBSA-N 364.211 0.239 0 1 FCAF O=C1N[C@H](CN2CCNC(=O)[C@@H]2c2cccs2)N[C@@H]2CCS[C@@H]12 618012028 LZLATQAYSYLNEI-FOUMNBMASA-N 352.485 0.141 0 1 FCAF CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1 2356463250 UJRMJTIXXKZFGB-ZSQRFRKWSA-N 374.474 0.469 0 1 FCAF O=C(CC[C@@H]1CNC(=O)[C@H]2C[C@H](NCc3ccccc3)CN12)NC1CC1 2356876457 ZKSCWYJOJQFWTH-RCCFBDPRSA-N 356.470 0.776 0 1 FCAF Cc1nc(N2CCOCC2)ncc1C(=O)N1CCN(c2ccccn2)CC1 21035349 YBQWPYLPVXQPCC-UHFFFAOYSA-N 368.441 0.979 0 1 FCAF COc1ccc(C(=O)Cn2ncc(N3CCO[C@@H](CCN)C3)cc2=O)cc1 23153240 SGJMLVPKUKEMRH-KRWDZBQOSA-N 372.425 0.689 0 1 FCAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CCN)CC3)nc21 27329227 VSACPWPHTPNMEI-UHFFFAOYSA-N 363.393 0.334 0 1 FCAF CCO[P@](=O)(CC(N)=O)OC[C@@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1 58609118 GPPXEGZLTTZXCY-HOEQXEBASA-N 373.302 0.030 0 1 FCAF CS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 95662403 QEUXWSXMYUYUTO-CVEARBPZSA-N 364.467 0.787 0 1 FCAF O=C(O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1C(=O)NC1CCCC1 95881735 HAYQQCQIMZIRJI-RKLWJJNISA-N 361.398 0.549 0 1 FCAF CN1C(=O)[C@H]2[C@H](N=C(N3CC[C@@H](N)C3)N2Cc2ccccc2)N(C)C1=O 169362281 PATUVNYIKBJGHW-RBSFLKMASA-N 356.430 0.110 0 1 FCAF O=C(O[C@@H]1CN2CCC1CC2)[C@](O)(CN1CCOCC1)c1ccccc1 13887354 RYWIXIGDLHGWJD-QUCCMNQESA-N 360.454 0.844 0 1 FCAF CC(C)n1c(=O)c(NC(=O)CN)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205596 AXYSYSWXOBEAEW-ZDUSSCGKSA-N 357.414 0.525 0 1 FCAF CC(C)C[C@@H](CN1CC(=O)N[C@H](CC(C)C)C1)NC(=O)[C@@H]1CC(=O)CN1 169320792 HZPGKJAYLDEBMC-VYDXJSESSA-N 366.506 0.295 0 1 FCAF CSc1ncnc2c1c1ccn(C)c1n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1857574612 BWMKJWSKHIGHNS-ORXWAGORSA-N 350.400 0.256 0 1 FCAF CCCNC(=O)N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@H](O)[C@@H]1O 2356357085 QGKVHYGOALTJQK-LUYZLQTOSA-N 360.418 0.160 0 1 FCAF COc1cc(CCCN2C(=O)C(=O)NC[C@@H]2[C@H](C)O)cc(OC)c1OC 13662219 ZFJABTVNEALSBK-WCQYABFASA-N 366.414 0.353 0 3 FCAF CS[C@]12[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C(=O)N1C)C(=O)N2c1ccccc1 5847922 RIJCISFWCJRXTE-FVEFGIFQSA-N 373.434 0.759 0 1 FCAF CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(C)=O)CO[C@H]12 45255938 DZUHMAFEPPZIPC-QKPAOTATSA-N 350.323 0.867 0 1 FCAF Cc1noc(C)c1S(=O)(=O)Nc1c(N2CCC(C)CC2)c(=O)c1=O 299871969 ZPOGWTAOONLGMW-UHFFFAOYSA-N 353.400 0.925 0 1 FCAF O=C(O)CNCCNCc1nc2ccc(I)cc2[nH]1 587229201 RJQFJAVBVBVBIF-UHFFFAOYSA-N 374.182 0.931 0 1 FCAF COc1cccc(Cn2c(=O)cnc3cnc(N4CCN(C)CC4)nc32)c1 4238727 RBCMRDFTUCSOLB-UHFFFAOYSA-N 366.425 0.995 0 1 FCAF O=P(O)(O)C(O)(CCNCCSc1ccccc1)P(=O)(O)O 27196789 MZHCHDGYACBPAP-UHFFFAOYSA-N 371.288 0.760 0 1 FCAF COC(=O)Cn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)CCN2 82204483 NPQNCWMHGNDAME-UHFFFAOYSA-N 370.365 0.967 0 1 FCAF O=C1N=c2ccc(S(=O)(=O)Nc3cccc4cccnc34)cc2=NC1=O 214731008 CBSQAWJMCIPNCL-UHFFFAOYSA-N 366.358 0.342 0 1 FCAF 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O=C1N=c2ccc(S(=O)(=O)O)cc2=C1NNc1nc2ccccc2s1 200773877 HXDHYIYFSMMFID-UHFFFAOYSA-N 374.403 0.428 0 1 FCAF COC(=O)[C@H]1CN(C(=O)c2cccs2)CCN1C(=O)C1CCNCC1 25424818 CNNQBWYFLLXGFD-CYBMUJFWSA-N 365.455 0.574 0 1 FCAF biogenic CON(C)C(=O)CC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)C[C@@H]1O 40894823 CFZSEGUPILZJTI-IQJOONFLSA-N 355.782 0.928 0 1 FCAF O=C1NC(=S)N=C1C=c1ccc(=c2ccc3c(c2)CCNC=3O)s1 377850880 ZGZWUQDVCWXTHS-UHFFFAOYSA-N 355.444 0.441 0 1 FCAF CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587233800 ATABSWPFGLQXNJ-KBPBESRZSA-N 371.441 0.163 0 1 FCAF CC(C)(C)SC[C@@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O 26817796 WLHQZMXBMQMRID-JGVFFNPUSA-N 350.393 0.589 0 1 FCAF CC(=O)O[C@@H]1[C@H](C)O[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O 95913901 MDNCGEXTUODPTG-LZMJHQHSSA-N 352.339 0.347 0 1 FCAF biogenic,in-vitro N#Cc1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1 147076539 KXMSOORLAUWKEE-UHFFFAOYSA-N 365.393 0.610 0 1 FCAF 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CCC(=O)N1[C@@H]2c3cccc(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCC1 95881274 LVPJFENGVBEZNZ-COCCGSRQSA-N 359.426 0.417 0 1 FCAF N=c1cc[nH]cc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587249896 RGJLSJCHLVOOBG-UHFFFAOYSA-N 366.425 0.788 0 1 FCAF Cn1c(Cl)cnc1[C@@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963220005 UYHMAVNZALCJNS-KWBADKCTSA-N 360.805 0.644 0 1 FCAF CC=C1C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@](C)(O)[C@H](C)[C@H]1O)[C@H]23 2356774859 FAFYHPIEFKLDSP-KRCIIATLSA-N 353.415 0.244 0 1 FCAF O=C(O)CCC(=O)NCCNS(=O)(=O)c1cccc2cnccc12 13860712 UZYHNVQRUIMQHD-UHFFFAOYSA-N 351.384 0.494 0 1 FCAF NC(=O)c1cn(-c2nccs2)c2nc(N3CC[C@H](N)C3)c(F)cc2c1=O 26942610 WKBJODCIUUGGAK-QMMMGPOBSA-N 374.401 0.618 0 1 FCAF CO[C@]12C[C@H](CNC(=O)c3cc(Br)c[nH]3)O[C@H]1NC(=O)N2 39030558 WRJYHSZMHSXLMX-NYRNMGCKSA-N 359.180 0.278 0 1 FCAF biogenic CCC(=O)N1[C@@H]2c3cccc(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC1CC1 95880533 FYMJUUWPLOQPJO-COCCGSRQSA-N 359.426 0.275 0 1 FCAF 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O=C(O)[C@@H](O)[C@@H](O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586890103 NIVMLYVVTKZLIY-SFYZADRCSA-N 354.262 0.335 0 1 FCAF COc1ccc(CCn2cc(C(=O)NCCN)nn2)cc1Br 653788046 SMUXCXRZTQLVFD-UHFFFAOYSA-N 368.235 0.980 0 1 FCAF Cn1ccnc1CN1C(=O)CO[C@@H]2CN(Cc3ccc(C(=O)O)cc3)C[C@H]21 2356286235 CDGCYKOOQJILDS-HZPDHXFCSA-N 370.409 0.730 0 1 FCAF C[C@H](NCc1cc(C(F)(F)F)cc2[nH]c(=O)c(=O)[nH]c12)P(=O)(O)O 26507540 RDTOXUOEIJUIMX-RXMQYKEDSA-N 367.220 0.849 0 1 FCAF COC(=O)Cn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)[C@H](C)CN2 82211240 VIQSFSFYCJIDSS-LLVKDONJSA-N 374.397 0.790 0 1 FCAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)N1 587829791 RDYGSNMRYVVLSB-SCSNWIRCSA-N 364.211 0.239 0 1 FCAF CN(CC(=O)NC(C)(C)C)C[C@@H]1NC(=O)[C@@H]2[C@H](N1)S[C@@H]1CCC[C@@H]12 618013272 QUDAHWOLZVKYGG-UUWFIWBFSA-N 354.520 0.736 0 1 FCAF CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccco3)[C@H]2SC1 1857547994 XVQBJKJRDYUPPJ-QMTHXVAHSA-N 366.351 0.195 0 1 FCAF CCCCN1C(=O)[C@@H]2C[C@H](O)CN2C2(CN(Cc3ccncc3)C2)C1=O 2356290142 KHOGLYSXDARSAR-HOTGVXAUSA-N 358.442 0.240 0 1 FCAF COCCOCC1(CNC(=O)c2ccc(OC)cc2)C[C@H](O)[C@@H](O)C1 2356301601 NWTKMODEYSXCJD-HOTGVXAUSA-N 353.415 0.590 0 1 FCAF O=C(Nc1cccnc1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cc(Cl)cn2)[C@@H]1O 2356735810 SBSNJPWVRFQDLB-KSTCHIGDSA-N 365.777 0.779 0 1 FCAF Cc1cnn([C@@H]2[C@H]3OC[C@@H](O3)[C@H](NC(=O)NCc3ccccc3)[C@H]2O)c1 2356297533 VWMMMKDRDOXVPK-HMDCTGQHSA-N 358.398 0.717 0 1 FCAF Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@@H](NC3CCOCC3)[C@H]2O)cc1 2356552619 XPCYHCFUKWIOCZ-IXDOHACOSA-N 370.471 0.170 0 1 FCAF Cc1nc(C(=O)N2CC[C@](C)(C(=O)NS(=O)(=O)C3CC3)C2)c(C)o1 61925510 HLKLUZKRYPBNMI-HNNXBMFYSA-N 355.416 0.752 0 3 FCAF CC[C@]12C(=O)N(C)C[C@H]([C@@H]3C(=O)N(C)C(=O)[C@@H]31)N2C(=O)c1ccc(C)cc1 61949164 MVAFUJCPVCOBLX-IGMJJTELSA-N 369.421 0.671 0 3 FCAF CC(C)CCOc1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1 29052354 UJDLUMCNDPKJME-FXUDXRNXSA-N 370.471 0.837 0 1 FCAF OC[C@H]1O[C@H](n2cnc3c(NCC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O 49055117 SYMPTMIUDBRBAX-GDLHICMESA-N 363.418 0.430 0 1 FCAF Cc1cn2c(nc1=O)O[C@@H]1C[C@@H]2O[C@@H]1CN1C(=O)c2ccccc2C1=O 101257161 PUPFPVGEFJMWHO-MCIONIFRSA-N 353.334 0.896 0 1 FCAF Nc1ncc(-c2nc3ccncc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 207492832 YUJKLNZYJCYDJM-SDTWEEQHSA-N 374.426 0.245 0 1 FCAF CCS(=O)(=O)N1CC[C@@H]2C(=O)N(Cc3cccnc3)CCO[C@@H]2C1 299842216 LWLAGAUEKIVUAH-LSDHHAIUSA-N 353.444 0.481 0 1 FCAF COc1ccc(Cn2cc(CN3C[C@H](N(C)C)CS3(=O)=O)nn2)cc1 96021017 NZZFKLCSXBVZFA-HNNXBMFYSA-N 365.459 0.411 0 3 FCAF CCOC(=S)NCc1ccc(O[C@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 14444123 JOSHUAQJVMGTGS-LQHIQZRBSA-N 357.428 0.304 0 1 FCAF endogenous,in-man Cc1nccnc1N1CCC(Cn2cc(CN3CCNC(=O)C3)nn2)CC1 23250662 NGLBZYFOTPXPDJ-UHFFFAOYSA-N 370.461 0.225 0 1 FCAF COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnccn3)NC(=O)NC1=O)C2 49525757 NNWAOWAMVGAOSU-KRWDZBQOSA-N 353.338 0.176 0 1 FCAF Nc1nc2nc(C(=O)NCCCC(=O)Nc3ccccc3)cnc2c(=O)[nH]1 103235481 WVLZEAVKIUEEBF-UHFFFAOYSA-N 367.369 0.444 0 1 FCAF Nc1ncccc1OCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 218920555 PCIUJRRRPLGHOX-INIZCTEOSA-N 356.426 0.578 0 1 FCAF CCNC(=O)O[C@@H]1CO[C@@H]2[C@H](NC(=O)c3ccc4c(c3)OCO4)CO[C@@H]12 2356817814 DNPHHSBRSXGNQB-QZKOUSHUSA-N 364.354 0.426 0 1 FCAF CN(C)[C@H]1CCN([C@@H]2CS(=O)(=O)N[C@H]2COCc2ccccc2)C1 96021047 YLTSVTUNIZTHCA-YESZJQIVSA-N 353.488 0.509 0 3 FCAF N[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2n1nnnc1-c1cccc(CN2CCCC2)c1 2356857632 SLBYSULWPZXBOP-QZWWFDLISA-N 356.430 0.602 0 1 FCAF Nc1ccn(C[C@@H](CO)C[C@@H](c2ccccc2)P(=O)(O)O)c(=O)n1 1633691 OWAHBWHHUTWRNX-AAEUAGOBSA-N 353.315 0.743 0 1 FCAF C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@@H]1O 13610740 QBXPGNBBNTUFDI-VGOVLVCLSA-N 363.418 0.573 0 1 FCAF CC1=CC(=O)[C@]2(O)[C@](O)(CC[C@H]3C(=O)c4c(O)cccc4C(=O)[C@@]32O)C1 85977246 DAGDJQJBYRXGHG-OKPZZFFVSA-N 358.346 0.294 0 1 FCAF biogenic O=C(Cc1ccccn1)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO 95906347 ZBZATYGIRVPWKB-SQNIBIBYSA-N 373.453 0.827 0 1 FCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NCC(F)F)nc23)N1 219513882 XLAZKMXUIRXNNQ-BAQGIRSFSA-N 364.316 0.556 0 1 FCAF Cc1c(C(=O)N2CCC3(CC2)CC3)nnn1-c1nc(=O)c2cccn2[nH]1 1857598273 INRLWNFWULEZKQ-UHFFFAOYSA-N 353.386 0.928 0 1 FCAF COCC(=O)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2Nc1nccc(C2CCCC2)n1 2356637486 ULSGVMQTSCFLFT-TXCZRRACSA-N 362.430 0.844 0 1 FCAF Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(C2CCCCC2)CC1 20489249 QJZBBJDZLXMMDO-UHFFFAOYSA-N 356.448 0.011 0 1 FCAF N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2C1=O 28654913 BKEHUOGJECEKGV-ZFWWWQNUSA-N 354.414 0.183 0 1 FCAF CC[C@@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(CCOC)c2=O)N1 82208156 JMFJFKCZJLKHAW-GFCCVEGCSA-N 359.386 0.508 0 1 FCAF CC1=C[C@@H]2[C@@H]3[C@H](C(C)C)[C@H](O)[C@H](O)[C@]3(C)[C@H](O)C[C@]2(C)[C@H](O)[C@H](O)[C@@H]1O 85855301 AROWUJMIHCBTGU-YSHLLSMESA-N 370.486 0.046 0 1 FCAF biogenic O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CC1 95675153 LATIXEUUNJKTQG-HRCADAONSA-N 352.431 0.130 0 1 FCAF CCCCc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 1772629778 MTIACVVQDNXQCM-QJPTWQEYSA-N 371.419 0.037 0 1 FCAF CC(C)(C)C(=O)OCO[P@](=O)(O)COCCn1cnc(=N)nc1O 1772630283 MIXQPWBNXBAGJL-UHFFFAOYSA-N 364.295 0.186 0 1 FCAF CC(=O)OCC1=C2C(=C[C@@]3(C)CC[C@@](O)(O3)[C@](C)(O)C[C@@H]2O)OC1=O 2356389472 VXLRPFBAXXIUFB-KSHAWTQOSA-N 354.355 0.060 0 1 FCAF O=C(c1ccccc1F)N1C[C@H]2COCCN2C2(C1)CN(C1COC1)C2 2356414078 OSYXIHYTJBQUKX-AWEZNQCLSA-N 361.417 0.436 0 1 FCAF CC(=O)CC(=O)N1C(=O)[C@@H]2[C@@H](Cc3cccc4c3[C@@]2(O)C(=O)N4C)C1(C)C 2356717216 KKGFMAANSDFYDF-QROBEVECSA-N 370.405 0.766 0 1 FCAF COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@H]1[C@H]1[C@H]2[C@H](OC(C)=O)[C@@H]1OC(C)=O 17104444 PZQQPXJMBSEPSV-CWVOTGJPSA-N 364.350 0.554 0 1 FCAF C[C@H]([C@@H](O)c1ccccc1)N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C 28872370 AHQHLUGQZGJZOR-IUODEOHRSA-N 369.425 0.766 0 1 FCAF O=C(O)[C@@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O 36272648 GEASOSNSHDZQIK-FUTJPDQTSA-N 363.374 0.275 0 1 FCAF CC(=O)N1[C@@H]2c3cccc(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCCC1 95881537 RWDQACDHOIJVRL-OXXUSNJHSA-N 359.426 0.417 0 1 FCAF CC(C)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccccc1)C(=O)CN1CCOCC1 95895960 TXADMCPTZYKUFW-QWFCFKBJSA-N 361.486 0.672 0 1 FCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)N1 587834261 RDYGSNMRYVVLSB-GBEZZNSISA-N 364.211 0.239 0 1 FCAF COCC(=O)N1C[C@H]2COCCN2C2(C1)CN(C(=O)c1ccccc1)C2 2356371747 PHFNOERJNIZKJQ-INIZCTEOSA-N 359.426 0.071 0 1 FCAF CC(C)=CCc1cc(C(=O)O)ccc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356665263 ZTHSABILDCCHJR-OCABDXPQSA-N 368.382 0.072 0 1 FCAF CS(=O)(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3cnccc3[nH]2)C1 2356735900 NDUNAKXTOGUFCE-MNOVXSKESA-N 352.416 0.873 0 1 FCAF CNc1ncnc2c1ncn2[C@H]1CN(Cc2cccnc2)C[C@@H](CO)O1 61895722 NSJZULBGIUHGCW-UONOGXRCSA-N 355.402 0.655 0 3 FCAF COC(CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1)OC 1857253 HROVJYOWBWNZPQ-RYUDHWBXSA-N 351.403 0.045 0 1 FCAF O=C1CC[C@]2(O)c3ccc(O)c4c3[C@H](c3ccc(O)c1c32)[C@@H](O)[C@H](O)C4=O 14417455 SINSSMRHIAXSGD-MJBIGMRFSA-N 368.341 0.674 0 1 FCAF biogenic Cn1c([C@@H]2COCCN2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O 14979320 FAQIGTGQCLFKIU-LBPRGKRZSA-N 362.361 0.216 0 1 FCAF COc1cccc(-c2ncnc3c2ncn3[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 48998156 GIWSVCWOGXSWMI-CYHLAULCSA-N 358.354 0.113 0 1 FCAF O=C1[C@@H]2C[C@H](O)CN2C2(CN(C3CCC3)C2)C(=O)N1Cc1ccccc1 2356290538 WAKIGZLFGFWQFF-IRXDYDNUSA-N 355.438 0.598 0 1 FCAF CC(C)c1oc(=O)cc2c1[C@H](O)[C@@H]1OC(=O)[C@]3(C)CC(=O)[C@H](O)[C@]2(C)[C@@H]13 2356333226 OUQLGYGAHNHJTB-RARXTIOESA-N 362.378 0.950 0 1 FCAF CC1CCN(C(=O)C[C@@H]2O[C@H](CNCc3ccccn3)[C@H](O)[C@H]2O)CC1 2356827170 HNZBPMMHHQRESV-NBMJBFSESA-N 363.458 0.309 0 1 FCAF COCCNC(=O)C[C@H]1C=C[C@@H](NC(=O)NC2CCCC2)[C@H](CO)O1 95675440 PYHXZAPBOUOXMO-KFWWJZLASA-N 355.435 0.065 0 1 FCAF CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)C1CCC1 95879684 XIOLKMYBLDZATD-IRWJRLHMSA-N 359.426 0.275 0 1 FCAF O=C(NCc1ccccc1)C1=CCC[C@H]1C(=O)N1CCC[C@H]1[C@@H](O)CO 95920865 YWYIBAJVRQWUCG-SQNIBIBYSA-N 358.438 0.983 0 1 FCAF in-vitro O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1-c1ccc(Br)o1 3653330 SDIRBUIWZUCLRP-HDBBIHSSSA-N 373.159 0.200 0 1 FCAF O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1cnccn1 95675485 DHOFHCIZNIPSHR-LZWOXQAQSA-N 362.430 0.421 0 1 FCAF CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1C(=O)C1CCCC1 95797260 HXBHCEQXWIUUFG-KJWYOANISA-N 373.453 0.617 0 1 FCAF CCN(C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)COC)S(C)(=O)=O 95895890 JMXAVHBHXJKRLD-INMHGKMJSA-N 370.471 0.270 0 1 FCAF COC[C@@]1(C)O[C@@](C)(n2ccc(=O)[nH]c2=O)[C@](C)(CN=[N+]=[N-])[C@@]1(C)O 96025039 LDFUPTMURACPGP-KBUPBQIOSA-N 353.379 0.712 0 1 FCAF O=S(=O)(NC[C@@H]1OC[C@H](NCc2ccccc2)[C@@H]1O)c1ccccc1 2356287850 QSGABNOIAMDZDF-BZSNNMDCSA-N 362.451 0.883 0 1 FCAF COc1c2c(cc3oc(CO)c(CCO)c(=O)c13)O[C@@H](C(C)(C)O)C2 2356316604 ANMSNJTVTGEHCC-CQSZACIVSA-N 350.367 0.903 0 1 FCAF O=C1C[C@H](O)[C@@H]2c3ccc(O)c4c3[C@](O)(c3ccc(O)c1c32)[C@@H](O)CC4=O 2356720283 VJWXYPUJILLMFB-RBUWEDBYSA-N 368.341 0.674 0 1 FCAF C[C@H](CC(=O)O)NC(=O)[C@H]1CCCN(C(=O)CCC2CCNCC2)C1 26468387 POPLTANACXUDAZ-HIFRSBDPSA-N 353.463 0.984 0 1 FCAF CCN(CCO[N+](=O)[O-])C(=O)COC(=O)c1ccccc1OC(C)=O 28948273 NZDWKHHKVCKFOT-UHFFFAOYSA-N 354.315 0.826 0 1 FCAF CC(=O)N1CCC(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)CC1 45356657 CQWBHMMWZICZRH-UHFFFAOYSA-N 369.429 0.497 0 1 FCAF O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)NCCc1cscn1 95869168 XQILYZOFHTVQAS-RRFJBIMHSA-N 365.455 0.403 0 1 FCAF CC(=O)CC[C@H]1[C@H](C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C 95909407 HQWAINIJVJHGRG-RBBCZLKVSA-N 374.474 0.613 0 1 FCAF biogenic,in-vitro Cc1ccc(SCc2cn3c(nc2=O)O[C@H]2[C@@H](O)[C@@H](CO)O[C@H]23)cc1 169708252 CWZCZCRFZVYJCR-ORIJERBGSA-N 362.407 0.856 0 1 FCAF COc1cc2cccc(C)c2c(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1O 2356496036 BZUMTVMELMBYKK-KQAXWUJNSA-N 366.366 0.041 0 1 FCAF CCO[P@@](=O)(CC(N)=O)OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1 27109978 GPPXEGZLTTZXCY-DQFYLXQCSA-N 373.302 0.030 0 1 FCAF COC(=O)/C=C/c1ccccc1OC[C@H](O)CNCCNC(=O)C(C)C 40465146 TZQGSAJQMSVIMZ-ROJDOSBLSA-N 364.442 0.974 0 1 FCAF O=C(CN1CCOCC1)NCCc1c[nH]c2ccc3c(c12)CCNC3=O 43015511 QJSVEXLVCDJTKO-UHFFFAOYSA-N 356.426 0.445 0 1 FCAF CCOC(=O)[C@H]1[C@@H](O)C(=O)N(C)C12CCN(C(=O)CC1CCCC1)CC2 299851970 LMCHPBSIDBLIEJ-HZPDHXFCSA-N 366.458 0.940 0 1 FCAF COCCc1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCOCC2)n1 2356288786 LAZUPRQMZMEZJY-BSDSXHPESA-N 365.474 0.335 0 1 FCAF COc1ccc(C(=O)N[C@@H]2CCN3C(=O)[C@@H]4C[C@H](OC)CN4C(=O)[C@H]23)cc1 2356316843 TVSADXYPVAQASX-FZKCQIBNSA-N 373.409 0.024 0 1 FCAF NC(=O)c1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)NCc2ccccc2)nn1 2356866863 WIBYAKXSFTXXLB-OWCLPIDISA-N 368.441 0.404 0 1 FCAF O=C(O)CN1C(=O)C(=O)N(CCc2ccc(Br)cc2)C1=O 1915473 MHFDAWCYZXQROE-UHFFFAOYSA-N 355.144 0.867 0 1 FCAF C[S@@](=O)CCNC(=O)c1cc2cc(S(N)(=O)=O)sc2s1 3779178 DKDCDRPHSHCNST-IBGZPJMESA-N 352.484 0.719 0 1 FCAF CC(C)CN(C[C@H](O)C(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 29127908 AEJMWTIBRVQCOF-KBPBESRZSA-N 368.386 0.501 0 1 FCAF CC(=O)c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(CC=C(C)C)c1 257430013 GVWZZKUSNVNWGC-QXCZDIPSSA-N 366.410 0.577 0 1 FCAF endogenous,in-man CCOC(=O)CN1CCN(c2ncc(C)c(NCCC(=O)OC)n2)CC1 82204163 MRNXQOKVCFECPI-UHFFFAOYSA-N 365.434 0.445 0 1 FCAF CC1(C)OC[C@@H]2O[C@]3([C@@H]4OC(C)(C)O[C@H]4CO)OC(C)(C)O[C@@H]3[C@H]2O1 254140606 AEXMLOVBBGJYHK-JJOMFQKDSA-N 360.403 0.897 0 1 FCAF CNS(=O)(=O)NCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586943005 VFRJJOCFLGHWLV-UHFFFAOYSA-N 363.403 0.176 0 1 FCAF Nc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cn1 587183065 VBPJGOQKXQLPPZ-UHFFFAOYSA-N 370.110 1.013 0 1 FCAF O=C(NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1N1CCc2ccccc2C1)C1CCCC1 2356820963 FQADGBKIHLKVTJ-ZGXWSNOMSA-N 374.481 0.840 0 1 FCAF CN(C)CCN1CCN([C@@H]2CN(C3CCCCC3)S(=O)(=O)C2)CC1 95599187 RGMNXOISSNJZQJ-QGZVFWFLSA-N 358.552 0.512 0 3 FCAF NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)ccc1Cl 29477881 DVXWNGBEJVSEIC-JTQLQIEISA-N 372.790 0.136 0 1 FCAF CCOC(=O)/C=C/C(=O)OC[C@H](CCC(N)=O)NC(=O)OC(C)(C)C 49071952 CYDPOYYNEZGEMJ-FBOQAHMBSA-N 358.391 0.808 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc(F)c(F)c2[nH]1)C(=O)O 587223530 WMZLHCKPOAGKJV-APPZFPTMSA-N 370.312 0.145 0 1 FCAF CC[C@@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)[C@H]1O)[C@@H]23 2356558186 OCAOOBJUECMHHK-WVFNSHEBSA-N 353.415 0.244 0 1 FCAF CC(=O)OC[C@H]1O[C@H](OCC2=CC[C@H]3C[C@H]2C3(C)C)[C@@H](O)[C@H](O)[C@H]1O 2356626088 KVGFKZMNWAQIFI-YDLMYCGBSA-N 356.415 0.366 0 1 FCAF O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)C3CCCC3)C[C@H]12 2356865265 WKGXSBZOKRYKMT-DLBZAZTESA-N 371.437 0.663 0 1 FCAF C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1 3048246 FKWZZFFTFBAIMR-HOCLYGCPSA-N 373.519 0.970 0 3 FCAF Cc1cn([C@H]2C[C@H](O)[C@@H](CCC(=O)NCc3ccccc3)O2)c(=O)[nH]c1=O 61935955 XCIKCMIQBGPZCT-ZMSDIMECSA-N 373.409 0.590 0 3 FCAF CN1CCN(C(=O)C[C@@H]2CCNC[C@@H]2Cc2cc(C(=O)O)on2)CC1 15672815 RGTJWSRIWJWFKW-STQMWFEESA-N 350.419 0.305 0 1 FCAF biogenic CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1 95794866 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JGVINGDTEJJCRS-TVQRCGJNSA-N 363.399 0.762 0 1 FCAF C[C@]1(c2ccc(Cl)nn2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963200603 FETXGSSNVHHYNY-DINDLPBHSA-N 372.816 0.875 0 1 FCAF Cn1ccnc1[C@]1(C2CC2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963208245 SCCSOPUAHJVBQW-NJSLBKSFSA-N 366.425 0.555 0 1 FCAF COc1cccc([C@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)n1 963213871 IKSPWCFYDNUUBX-XEZPLFJOSA-N 353.382 0.661 0 1 FCAF CC(=O)O[C@@H]1[C@@H](O[C@@H]2[C@H]3CC=C(C)[C@H]2C3(C)C)O[C@H](CO)[C@H](O)[C@H]1O 2356691670 RVMGGXLVAQJVDV-CKEIUPIUSA-N 356.415 0.365 0 1 FCAF NC(=O)c1cn(C[C@H]2C[C@H]3CCN2C[C@H]3C(=O)Nc2ccccc2)nn1 2356857347 SHKSLLSWHNCPSU-BPLDGKMQSA-N 354.414 0.726 0 1 FCAF CCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)N1CCOCC1 49034593 QTYQCERXOGLUAA-CABCVRRESA-N 353.419 0.266 0 1 FCAF C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cn1 84739478 XNKJXVISIPHXEU-UHFFFAOYSA-N 364.427 0.449 0 1 FCAF O=C(NCc1cccc(F)c1)[C@H]1[C@@H]2N[C@@H](Cn3c2cccc3=O)[C@@H]1CO 95880337 JWMFZIXOKYLXBU-LBTBCDHLSA-N 357.385 0.555 0 1 FCAF CCOC(=O)c1cn(C[C@@H](O)Cn2cncn2)c2ccc(F)cc2c1=O 96909276 ZNROKGMAWGDQFR-GFCCVEGCSA-N 360.345 0.970 0 1 FCAF COC(=O)C(C)=C1C(=O)O[C@]2(C)[C@@H]3C[C@@H]3[C@](C)(CO)[C@@H]2[C@H]1OC(C)=O 2356505075 QGQJAIFVPDCYEV-TYASBFBMSA-N 352.383 0.988 0 1 FCAF CNC(=O)[C@H](CCC(=O)O)NC(=O)/C=C/c1ccc(OC)c(OC)c1 40951905 ACLSNQXZQOGBCS-ZCRIDZFUSA-N 350.371 0.813 0 1 FCAF NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)NC1CCCC1 43080571 JNDRSZHDKARQHT-CVEARBPZSA-N 358.442 0.403 0 1 FCAF COCCNC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O 95553442 NMEFMKZEAMFJPT-UHFFFAOYSA-N 363.345 0.526 0 1 FCAF O=C(Cc1ccncc1)NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1 95904013 DKJDFTZDOJIVOW-IKGGRYGDSA-N 361.442 0.565 0 1 FCAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cnncc3[nH]2)[C@@H](C)O)cc1 586934325 GAFKDTOHHKQTJM-OTYXRUKQSA-N 363.399 0.762 0 1 FCAF COC[C@@H]1C[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)[C@@H]1O 2356293479 HXVFEEZFTFMMKU-HWNAMQAFSA-N 369.361 0.740 0 1 FCAF CCCNC(=O)N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@H](O)[C@H]1O 2356357212 QGKVHYGOALTJQK-VDERGJSUSA-N 360.418 0.160 0 1 FCAF CNCc1cn(C[C@H]2C[C@H]3CCN2C[C@H]3C(=O)NCc2ccco2)nn1 2356378374 HVGGFWJLCRZLFU-FRFSOERESA-N 358.446 0.617 0 1 FCAF Cc1ccc(Nc2nc(N)nc3c2ncn3[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1 17125781 VQITYXMXZZEURX-KBNOKHGBSA-N 372.385 0.072 0 1 FCAF O=C(O)CCCC(=O)N1CC[C@@H]2NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21 25412368 RRYBVFQNZXZDKK-XJKSGUPXSA-N 359.382 0.963 0 1 FCAF biogenic CC(=O)N[C@H](CCC(=O)O)[P@](=O)(O)C[C@@H](CCC(=O)O)C(=O)O 96273093 ZYUHYZCJHIQCIO-BDAKNGLRSA-N 353.264 0.149 0 1 FCAF CC(C)C(=O)N[C@H]1c2[nH]c(CCc3ccccc3)c[n+]2[C@H](CO)[C@@H](O)[C@@H]1O 103543715 YCPLHXLUOSXDJD-BRSBDYLESA-O 374.461 0.170 0 1 FCAF in-vitro COC(=O)c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(OCC=C(C)C)c1 238753819 LTKOEKFHHKOTHT-KONPQCLYSA-N 368.382 0.636 0 1 FCAF CC(C)C[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)O 2356839719 LXKNSJLSGPNHSK-RRFJBIMHSA-N 372.510 0.589 0 1 FCAF CN(Cc1cccnc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1 38214860 MCDYFPXMMMPQQB-HUUCEWRRSA-N 363.439 0.182 0 1 FCAF COc1cccc(CNC(=O)C[C@H]2CC[C@@H](NC(C)=O)[C@@H](CO)O2)c1 95677356 QHWKOKDSIMAAGX-BRWVUGGUSA-N 350.415 0.746 0 1 FCAF CCC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2ccc(OC)cc2)O[C@@H]1CO 95908176 XXVQYUMJVNBNLA-GVDBMIGSSA-N 362.426 0.912 0 1 FCAF CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2c2nc(O)ncc2C[C@@]3(O)[C@H]1C5 253636426 LCNCABZWEXDLGV-BYIJLXJXSA-N 353.378 0.807 0 1 FCAF CCOC(=O)[C@@H]1[C@@H](c2ccccc2)CN2CCN(S(C)(=O)=O)C[C@H]12 299852436 SASDPCFWAKALOO-BZUAXINKSA-N 352.456 0.909 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3cn[nH]c3cc2[nH]1 587217873 DBMSURABFJANFE-BDAKNGLRSA-N 374.357 0.263 0 1 FCAF CC(=O)N1CCC(N[C@@H]2CO[C@@H](CNC(=O)c3ccccc3)[C@H]2O)CC1 2356287612 MJKYTIALISUBJQ-SQNIBIBYSA-N 361.442 0.145 0 1 FCAF COC(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OC(=O)OC 17253115 JPRPTQMTTDGMJZ-IVZWLZJFSA-N 358.303 0.067 0 1 FCAF OCCOCCOc1cccc(-c2cccc(OCCOCCO)n2)n1 38244528 JGEIKQLLWRGWQN-UHFFFAOYSA-N 364.398 0.919 0 1 FCAF C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@@H]1O 40934691 KUYPLOWMQLPKGV-PDUOOLKUSA-N 361.358 0.033 0 1 FCAF Cn1nccc1CS(=O)(=O)Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 586923559 PYTQDCPCVKCTLR-UHFFFAOYSA-N 361.383 0.742 0 1 FCAF COc1cc([C@@H](c2c(O)n[nH]c2C)C2C(=O)NC(=O)NC2=O)ccc1O 1857635452 XMBUZLLQMNCMRW-NSHDSACASA-N 360.326 0.252 0 1 FCAF CCO[C@@H]1O[C@H](COC(=O)C=Cc2ccc(O)c(OC)c2)[C@@H](O)[C@H]1O 2356413664 HTLKTNFLIXKECI-MWQQHZPXSA-N 354.355 0.440 0 1 FCAF CN1CNC[C@@]1(C)CC[C@H](NC(=O)c1cc(Br)c[nH]1)C(=O)O 2356816093 CXOQHFHYUNXFBI-IINYFYTJSA-N 373.251 0.992 0 1 FCAF O=S1(=O)C[C@H](N2CCCC2)CN1Cc1cn(Cc2ccccc2)nn1 96020820 CPPMKHDVVHXUDN-QGZVFWFLSA-N 361.471 0.936 0 3 FCAF CN(CCc1cnn(C)c1)C(=O)Cn1nnnc1CN1CCCCCC1 12597137 AMGLSHPKTQGNJR-UHFFFAOYSA-N 360.466 0.484 0 1 FCAF Nc1nc(N2CCN3C[C@H](CO)CC[C@H]3C2)nc2nc(-c3ccco3)nn12 13585795 ZKFSWKJIUQZEKQ-NEPJUHHUSA-N 370.417 0.254 0 1 FCAF CC(=O)NC[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O 27767370 VYDGPJBFVVSXTH-AQFPUKDWSA-N 353.440 0.377 0 1 FCAF CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCCN2CCOCC2)cc1 82232692 ZIHAISPQNUIXCC-LJQANCHMSA-N 360.458 0.942 0 1 FCAF CC(C)S(=O)(=O)Cc1nc(N)c2nnn(C[C@H]3CCCCO3)c2n1 84708761 HIAYUVBFSXEZMX-SNVBAGLBSA-N 354.436 0.696 0 1 FCAF O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CC2)O1)NCC1CC1 95884806 SQIZVCZSVBGYDX-ZJPYXAASSA-N 352.475 0.922 0 1 FCAF CN(C)CC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO 95903481 LVRYKZWFXWGZBN-OWCLPIDISA-N 355.479 0.269 0 1 FCAF COC(=O)[C@@]1(CCSC)N[C@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 103961837 WDARWSXAQTXDTN-QHSOUUPTSA-N 352.412 0.820 0 1 FCAF Cc1ccc2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2c1C 587218634 HQAIVDCYUCGALE-PWSUYJOCSA-N 362.386 0.484 0 1 FCAF COC1=C[C@@H](O)[C@@H]2C(=O)O[C@@H](C)C[C@H]3CC(=O)[C@@H](O)[C@H](CC=CC2=C1)O3 1857743407 KIBJDJJXGWIFNI-AORJYJEFSA-N 364.394 0.803 0 1 FCAF CC(C)NC(=O)N[C@@H]1C[C@H]2C(=O)N[C@@H](Cc3cccs3)C(=O)N2C1 2356321860 ZXDSJJAOSMDKCT-WXHSDQCUSA-N 350.444 0.466 0 1 FCAF C[C@H](NC(=O)c1[nH]cnc1C(=O)NCCCCCN)C(=O)OC(C)(C)C 36378349 OXPXDYKSNVJUBY-NSHDSACASA-N 367.450 0.729 0 3 FCAF CC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 206063975 OWAQSFCXNIOQOH-KCQAQPDRSA-N 353.216 0.967 0 3 FCAF COC(=O)[C@@H]1CN(C(=O)C2CCNCC2)CCN1C(=O)c1cccs1 4270687 DQMHKANSXWWYIO-ZDUSSCGKSA-N 365.455 0.574 0 1 FCAF biogenic O=C1CC[C@H](N2C(=O)c3ccc(/C=C/N4CCCC4=O)cc3C2=O)C(=O)N1 28862655 KWJBTPIKLIHASQ-KGXGESDWSA-N 367.361 0.681 0 1 FCAF CC(C)(CO)NCC(=O)N1C[C@@H](F)C[C@H]1[C@@H](O)c1nnc(C(C)(C)C)o1 38965465 PHTMASAWZAGGEK-GMXVVIOVSA-N 372.441 0.700 0 1 FCAF in-vitro C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCN=c3ccn(C)cc3)C[C@H]12 377578542 FHGKXWGLFGNGNG-ZKYQVNSYSA-N 363.439 0.567 0 1 FCAF Nc1nc(O)c2nc(-c3nccnc3I)[nH]c2n1 587186766 SNFTYTMLQYNWQC-UHFFFAOYSA-N 355.099 0.702 0 1 FCAF Cc1ccc(O[C@@H]2C=C(C(=O)N[C@@H]3CCCNC3=O)C[C@@H](O)[C@H]2O)cc1C 2356322396 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0.185 0 1 FCAF O=C1c2cc3c(cc2OCN1CCn1ccnn1)C(=O)N1CCC[C@@H]1O3 72175216 QBEIZPBKIUOKAQ-HNNXBMFYSA-N 355.354 0.725 0 1 FCAF O=C(Cc1ccccc1)N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO 95676257 IQQRIWPPTLHHIL-KZNAEPCWSA-N 374.437 0.279 0 1 FCAF C[C@@]12CC[C@H]3O[C@]3(C)[C@H](O)C[C@@H]3[C@H](OC(=O)[C@H]3CN3CCOCC3)[C@H]1O2 299830489 VSQZNJQBWMATIK-XEIYJGAESA-N 367.442 0.336 0 1 FCAF COC(=O)C=C1[C@]2(C(=O)OC)C[C@@H]2CN2CCC3=C[C@H](O)[C@H](OC)C[C@@]312 2356421358 HCPARCRYJHXALA-FVCITADKSA-N 363.410 0.429 0 1 FCAF COc1c(C)c2c(c(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)c1C)C(=O)OC2 2356732079 WGZSHFSRJXYDQK-MAIIBCCYSA-N 354.355 0.189 0 1 FCAF CC1CCN(C(=O)C[C@@H]2O[C@H](CNCc3ccccn3)[C@H](O)[C@@H]2O)CC1 2356827169 HNZBPMMHHQRESV-ISARSNTHSA-N 363.458 0.309 0 1 FCAF CN1CCN(CCOc2cccc3c(=O)nc(N4CCOCC4)oc23)CC1 64453983 VHZNVVHHKBDNAR-UHFFFAOYSA-N 374.441 0.651 0 1 FCAF COC(=O)c1cccc(NC(=O)C2(N)CCN(c3cc[nH]c(=N)n3)CC2)c1 473113246 IDQFWWKUZNCJCP-UHFFFAOYSA-N 370.413 0.612 0 1 FCAF CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)CCN1C(C)=O 1772575342 SIZXQYQYIMYYCQ-CQSZACIVSA-N 358.391 0.610 0 1 FCAF O=C(NC1CCN(S(=O)(=O)[C@H]2CCNC2)CC1)c1cc(C2CC2)on1 1857599226 IJTDTVNACBJFLS-ZDUSSCGKSA-N 368.459 0.438 0 1 FCAF C[C@H](C[C@H](O)CCCC[C@H](O)CC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@H]1O 2356835116 KOPWGKUEIMDQOP-HOJNGZOOSA-N 364.435 0.395 0 1 FCAF CN(C)Cc1c(-c2nnc(-c3ccncc3)[nH]2)nnn1-c1nonc1N 1911765 IHWFBMNLKOVSMS-UHFFFAOYSA-N 353.350 0.141 0 1 FCAF O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1OCCCc1ccccc1 17252091 PKAUUFQQSOSZIW-IMJJTQAJSA-N 362.382 0.189 0 1 FCAF CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1CC(=O)N1CCN(C(C)=O)CC1 25427270 WXOFKQJOMSFJNL-HUUCEWRRSA-N 359.492 0.375 0 1 FCAF biogenic NC(=O)[C@H]1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1 28825357 MPZAGWNCKMJLBP-CYBMUJFWSA-N 356.375 0.928 0 1 FCAF COc1ccc(C[C@H](CO)NC(=O)/C=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1 29341021 RMIGPANRXXCTMF-SBDDDAINSA-N 359.382 0.113 0 1 FCAF C[C@H]1COc2c(N3CC[C@H](N)C3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23 34307898 XJDCVXNXLXSSQA-YUMQZZPRSA-N 362.361 0.912 0 1 FCAF COC(=O)c1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@@H](C)CN3)cc1 82211883 BZYHHFRKGYFVCO-NSHDSACASA-N 373.413 0.354 0 1 FCAF CC(C)(C)c1ccccc1N1CCN(C(=O)C(=O)[C@H]2NC(=O)NC2=O)CC1 114543946 IFHBRKLSHWPNNP-CQSZACIVSA-N 372.425 0.410 0 1 FCAF O=P(O)(O)Oc1cccc(OP(=O)(O)O)c1OP(=O)(O)O 140516868 ALWMWBDJLPREOH-UHFFFAOYSA-N 366.048 0.101 0 1 FCAF C[C@H](O)CC(=O)O[C@H]1CN2Cc3cc4c(cc3[C@]13C=C[C@H](O)C[C@H]23)OCO4 238774391 IDBLRTJXYSJNAB-ADGKLHOASA-N 373.405 0.854 0 1 FCAF CC1=C[C@H]2O[C@@H]([C@@H]3[C@H](C(C)C)[C@H](O)[C@H](O)[C@](C)(O)[C@H]23)[C@](C)(O)CC[C@H]1O 2356317021 KPHNYICDDSOROS-OMULAQCOSA-N 370.486 0.597 0 1 FCAF O=C1CC[C@H](O)C2=C[C@H](O)[C@H](O)C3(Oc4cccc5cccc(c45)O3)[C@@]12O 13398549 IETBVXMUDJHZAJ-OYUDYFSCSA-N 370.357 0.424 0 1 FCAF biogenic C[C@]1(CO)[C@@H](O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]1(O)C[C@](C)([C@H](O)CO)CC[C@@H]21 40585215 WDRRSJQZCVZNOS-MUOQQGGZSA-N 372.502 0.418 0 1 FCAF COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41CO 169327063 KRVBAKCHGBGKIW-SCPNJHRCSA-N 361.394 0.892 0 1 FCAF COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(OCC=C(C)C)c1 2356643243 LTKOEKFHHKOTHT-MUQADHOPSA-N 368.382 0.636 0 1 FCAF C[C@@H]1CC[C@]2(O)[C@@H]1C[C@H]([C@@](C)(O)COS(=O)(=O)O)CC[C@@]2(C)O 2356678190 WGZJGSMZQTWTSO-LACSLYJWSA-N 352.449 0.885 0 1 FCAF O=C(NCCN1CCCC1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 11839508 ZZUPTTBKWAQRPM-QGZVFWFLSA-N 366.506 0.159 0 3 FCAF COC(=O)[C@]12CCCN1[C@@H]1C(=O)N(Cc3ccc(C(N)=O)cc3)C[C@@H]1C2 263590504 NHJSCEAEASUJPS-YZVOILCLSA-N 357.410 0.524 0 3 FCAF COc1cc(C(=O)NCCO)ccc1NC(=O)c1cnn2cccnc12 113654080 CPXIYNPTQDULPI-UHFFFAOYSA-N 355.354 0.712 0 1 FCAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H](NC(N)=O)C3)nc21 29336151 LDEJZAKTTWOVBD-QMMMGPOBSA-N 363.349 0.501 0 1 FCAF O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc2C1 45366385 GFBPBUYOHJVQEQ-IAGOWNOFSA-N 374.462 0.714 0 1 FCAF Cc1cc(S(N)(=O)=O)c(SCC(=O)NC[C@@H](C)O)cc1Cl 40980936 KBRNEIYOVKOJLZ-MRVPVSSYSA-N 352.865 0.885 0 1 FCAF C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@H](OC1=O)[C@H](O)[C@H]23 238781324 QBXXZMDYXQHARQ-FZVVMCRVSA-N 351.399 0.164 0 1 FCAF CC1(C)[C@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@H]4[C@@H](O)[C@@]3(C[C@H](O)[C@@]21O)C[C@@]4(C)O 253680279 BWMFRQKICHXLSH-FUYGDFOISA-N 370.486 0.168 0 1 FCAF O=C(c1ccncc1)N1CC[C@@]2(COc3ncccc3S(=O)(=O)N2)C1 299849912 LNUYNPRTKKCZDW-INIZCTEOSA-N 360.395 0.432 0 1 FCAF COc1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2c1 587221384 PNVCEKXVOZWQBP-ONGXEEELSA-N 364.358 0.396 0 1 FCAF CCN(CC)CCC[C@H](C)N[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O 13493065 YZWKLDYUYPKAIO-KKBVYLPWSA-N 354.495 0.702 0 1 FCAF C=Cc1nc2c(Nc3ccccc3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 13643694 LUFONISLOJXURL-XKLVTHTNSA-N 369.381 0.824 0 1 FCAF CC[C@@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)C(CO)=C[C@H]3OC(=O)[C@@H]1[C@H]23 253683533 GULGAMRPPWWFSQ-BWUDUUOWSA-N 364.394 0.842 0 1 FCAF Nc1nc(=O)n([C@H]2CS[C@@H](CO)O2)cc1I 6524231 DPXBMYJQASAVRO-RITPCOANSA-N 355.157 0.011 0 1 FCAF Cc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1N(CC(=O)O)S(C)(=O)=O 28954060 LWEKKTGHNHMKQC-UHFFFAOYSA-N 361.763 0.029 0 1 FCAF O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccncc1 95904131 UMZFBZHPBIGFIA-GVDBMIGSSA-N 361.442 0.913 0 1 FCAF CC1=C(CC[C@@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1 139143921 UJRMJTIXXKZFGB-DUGRZFSGSA-N 374.474 0.469 0 1 FCAF CCOC(=O)Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587779233 ZGVBUUBNTCWMET-UHFFFAOYSA-N 353.400 0.689 0 1 FCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)N1 587834886 UJWHGAUUAGNGBG-CYZPGCAISA-N 364.211 0.239 0 1 FCAF N=c1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)cc[nH]1 1857606159 LOSWCWUZWRHVLI-SJORKVTESA-N 367.453 0.671 0 1 FCAF CC(C)NC[C@@H]1O[C@H](Cc2cc(CN3CCOCC3)on2)CC[C@@H]1O 2356612148 VIQGCOOZUYJDBX-SZMVWBNQSA-N 353.463 0.956 0 1 FCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCCC3)[C@@H](O)[C@H]2O1)N1CCOCC1 2356677541 STPSLEBTHAYCTG-DTJSUFBGSA-N 354.447 0.053 0 1 FCAF CO[C@H]1N([C@@H]2C[C@@H](F)[C@H](CO)O2)C(O)=NC(=O)[C@]1(C)Br 837736 DUICDJHBRPQIQD-KENRYSMISA-N 355.160 0.314 0 1 FCAF CC1=CC(=O)[C@]2(O)[C@](O)(CC[C@@H]3C(=O)c4c(O)cccc4C(=O)[C@@]32O)C1 14825898 DAGDJQJBYRXGHG-VNNGDKDKSA-N 358.346 0.294 0 1 FCAF biogenic Nc1nc(N)c(-c2ccc(Br)cc2)c([C@H](O)[C@H](O)CO)n1 28648545 YOCZQZISLAENAY-LDYMZIIASA-N 355.192 0.457 0 1 FCAF O=C(CN1CCN(c2cc(C3CCNCC3)ncn2)CC1)N1CCCC1 39461498 VWNQMEPPMCXCLJ-UHFFFAOYSA-N 358.490 0.688 0 1 FCAF COCC1=C2/C(=C\[C@]3(C)CC[C@@](O)(O3)[C@](C)(O)C[C@@H]2OC(C)=O)OC1=O 67902535 OPAWQGXUUDQIPB-OQDQSLTRSA-N 368.382 0.714 0 1 FCAF O=C(NC[C@@H]1CC[C@H]2[C@H](CN2C(=O)Cc2ccncc2)O1)C1CCOCC1 95797540 NKWDSBHDXVINQL-BZSNNMDCSA-N 373.453 0.925 0 1 FCAF CC(=O)OCC1=C(C(=O)O)N2C(=O)C(=C(Cl)Cl)[C@H]2S(=O)(=O)C1 13740796 ZLZSKFBDQKKTSB-SNVBAGLBSA-N 370.166 0.174 0 1 FCAF CC1=C(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)OCN1C 53246592 LXQUTALBNWVLDB-UHFFFAOYSA-N 357.413 0.834 0 1 FCAF COC[C@@]1(C)O[C@@](C)(n2cnc3c(N)nc(N)nc32)[C@](C)(OC)[C@]1(C)O 95535519 MMQHHAFEMBHXRO-KLHDSHLOSA-N 366.422 0.255 0 1 FCAF O=C(NC[C@@H]1CC[C@H]2[C@H](CN2C(=O)C2CCOCC2)O1)c1cccnc1 95797478 VOOZIXGGBCVCMC-ULQDDVLXSA-N 359.426 0.996 0 1 FCAF CN1C(=O)[C@@H]2[C@H](N=C(N3CC[C@@H](N)C3)N2Cc2ccccc2)N(C)C1=O 169362280 PATUVNYIKBJGHW-QLFBSQMISA-N 356.430 0.110 0 1 FCAF CNCc1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)NCc2ccco2)nn1 2356378375 HVGGFWJLCRZLFU-UKPHBRMFSA-N 358.446 0.617 0 1 FCAF CC=C1C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN3C[C@H](O)[C@@H](OC1=O)[C@H]23 2356501812 NPYPUYCITBTPSF-GDHKABSOSA-N 351.399 0.164 0 1 FCAF COCCNC(=O)[C@H]1CCC[C@@H](NCc2cccnc2)CN(C)C(=O)C1 2356619257 YMGIRXIZHWONJS-DLBZAZTESA-N 362.474 0.951 0 1 FCAF CN1Cc2cc(C(=O)NCc3c[nH]cn3)ccc2N[C@@H](CC(=O)O)C1=O 29483793 QFUVEULPZNNEQO-AWEZNQCLSA-N 357.370 0.567 0 1 FCAF C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 169373008 RTCACLNSEXRQIB-PUIJQAFISA-N 366.410 0.322 0 1 FCAF Nc1ncc(-c2nc3cnccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 207492775 GZKDXPVNICAUHN-HLXLPKMUSA-N 374.426 0.245 0 1 FCAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2N)C1 586954481 BTADSHWGRGQSMB-UHFFFAOYSA-N 359.415 0.284 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cccc(Cl)c2[nH]1)C(=O)O 587218689 KKJTVSRGCBLWBB-PSASIEDQSA-N 368.777 0.520 0 1 FCAF Cc1cc2nc(C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2cc1C 587220549 NKFADFIOHBQMAU-QWRGUYRKSA-N 362.386 0.484 0 1 FCAF C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@]2(C)[C@@]2(O)C[C@H](O)[C@H](C)[C@@H]42)[C@@]13C 936069689 HQUSKUTUDDZKOD-LCGZZIKUSA-N 368.470 0.247 0 1 FCAF in-vitro Cc1c(Oc2cnc(C(=O)N[C@@H](CO)C3CC3)cn2)ccc2c1B(O)OC2 1772620153 FPFPMRGGUXLQIJ-AWEZNQCLSA-N 369.186 0.296 0 1 FCAF COC(=O)[C@]12CCCN1[C@@H]1C(=O)N(Cc3ccc(C(N)=O)cc3)C[C@H]1C2 263590505 NHJSCEAEASUJPS-ZRGWGRIASA-N 357.410 0.524 0 3 FCAF N=C(N)c1ccc2nc(C(O)(O)c3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2c1 3871730 ZLAHDRAQCSQPOC-UHFFFAOYSA-N 364.369 0.193 0 1 FCAF 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0.045 0 1 FCAF COc1cc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)ccc1-n1cnnn1 59938742 DFIBKCJIADHORF-GFCCVEGCSA-N 364.431 0.140 0 3 FCAF CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2c(C)noc2C)C1 61904900 FMNHXFPDDQSEJS-OAHLLOKOSA-N 357.432 1.000 0 3 FCAF O=C(O)C[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H]1Cc2ccccc2OC1=O 1642783 SCGLMVDHEVZHRE-DTWKUNHWSA-N 374.271 0.155 0 1 FCAF CN(C)C(=O)COc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1Cl 16954729 CUJDPDQIRFOXGW-UHFFFAOYSA-N 352.826 0.993 0 1 FCAF Cc1cccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1C 49016450 JEBDKONLQXTDHP-SCFUHWHPSA-N 371.397 0.798 0 1 FCAF COCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@@H](C)N2 82206966 NATYYLZSXKJLMK-LLVKDONJSA-N 374.397 0.781 0 1 FCAF CO[C@]12CC[C@H](NCC(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5 87723389 YHKUQEWICWSOTO-SGLTUDCSSA-N 374.437 0.873 0 1 FCAF CN(C)CCNC(=O)[C@H]1C[C@@H]2CN(C(=O)NCc3ccccc3)C[C@H]1O2 96083610 ISBPUZSFJUHGHY-IXDOHACOSA-N 360.458 0.663 0 1 FCAF Cc1nc(OCC(=O)N(C)C2CCN(C3(C)COC3)CC2)nc(C)c1N 1911574352 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CNC(=O)[C@H](c1ccccc1OC)N1CCC[C@H]1C(=O)N1CCOCC1 2356387761 GXRGCFSVAJQEPL-RDJZCZTQSA-N 361.442 0.806 0 1 FCAF CS(=O)(=O)NC[C@@H]1COCc2nc3cc(S(C)(=O)=O)ccc3n21 2356652024 LUKPBXCFRBPXFX-SECBINFHSA-N 359.429 0.060 0 1 FCAF COC[C@@H]1O[C@@H]2c3c(cc(OC)c(OC)c3OC)C(=O)O[C@@H]2[C@H](O)[C@H]1O 2356712278 WPKUNBMLWQDSMQ-SXKANPHBSA-N 370.354 0.060 0 1 FCAF O=C1CC[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@H]2[C@@H](O)[C@@H](O)C3=O 2356720320 WUCMTTYUUQBEMP-LMCOJAPRSA-N 368.341 0.944 0 1 FCAF COC(=O)[C@@H]1[C@H](O)CC[C@H]2CN3CC=c4c([nH]c5ccccc45)=C3C[C@@H]12 2356875180 HFJRBVGHYJNYRT-PNYIKSMMSA-N 352.434 0.952 0 1 FCAF O=C(O[C@@H]1CN2CCC1CC2)[C@@](O)(CN1CCOCC1)c1ccccc1 3796659 RYWIXIGDLHGWJD-UYAOXDASSA-N 360.454 0.844 0 1 FCAF OC[C@H]1N[C@H]([C@H](O)CCCC[C@H]2CCC[C@@]3(CCCO3)O2)[C@@H](O)[C@@H]1O 15768564 DCEQEWFABGFSHE-AQQLINSVSA-N 359.463 0.038 0 1 FCAF CCC(=O)OCC(COC(=O)CC)OCn1cnc2c(F)nc(N)nc21 26970352 KFMWNWWBDNYMNJ-UHFFFAOYSA-N 369.353 0.797 0 1 FCAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSC(F)(F)F)[C@@H]2SC1 28090853 UNHRCAJQMBWKCH-MUWHJKNJSA-N 356.347 0.998 0 1 FCAF O=P(O)(O)C(NS(=O)(=O)c1ccc(Cl)cc1)P(=O)(O)O 34237344 JLXXIHBBQZRECY-UHFFFAOYSA-N 365.624 0.257 0 1 FCAF CN1CCOC[C@H]1c1nc(C(=O)NCc2ccccc2)c(O)c(=O)n1C 89774371 FWLYUGRHEREYSM-ZDUSSCGKSA-N 358.398 0.419 0 1 FCAF CN1[C@H](C(=O)NCCc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]21 95880532 CXWSNFDMFCSZBT-FEHORTKBSA-N 367.449 0.801 0 1 FCAF CN(C/C=C\CN)C[C@H]1O[C@@H](n2cnc3cncnc32)[C@@H]2OC(C)(C)O[C@H]12 1772621282 WJEXGWRFXBULJJ-ICTVOFNLSA-N 374.445 0.691 0 1 FCAF CC[C@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](OC(C)=O)[C@H]12)[C@H](C)O 2356329985 NRKGCBYQDMTQRF-CMKUPABNSA-N 355.431 0.634 0 1 FCAF COC(=O)C[C@H]1C[C@@H]2c3cc(NS(C)(=O)=O)ccc3O[C@@H]2[C@H](CO)O1 95901755 STSQWNRYWIJNCW-ILHHOCCXSA-N 371.411 0.616 0 1 FCAF O=C(O)C(=O)CC(=O)c1ccc2ncc(C(=O)CC(=O)C(=O)O)c(O)c2c1 169719360 AMYVJHNPJZMCHY-UHFFFAOYSA-N 373.273 0.393 0 1 FCAF CCCC[C@@H](C(=O)OC)N1C[C@H]2O[C@H](C(=O)N3CCCCC3)[C@H](O2)C1=O 299829223 KZTYOOZUPFWBFT-AJNGGQMLSA-N 368.430 0.683 0 1 FCAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(=O)NC(=O)NC2=O 587799024 VTHIETZHROMLIO-YFKPBYRVSA-N 356.151 0.684 0 1 FCAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H](O)[C@@H](O)CO)N1 587831940 INPNLAFGDJJDCX-KUQGBDSZSA-N 364.211 0.024 0 1 FCAF CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@@H](c1cscn1)N2CCOC 618013173 LBVDJODHPCGCHT-XQQFMLRXSA-N 353.448 0.740 0 1 FCAF C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCc1ccccn1 618014705 FLGJCAIBUIKGJK-JOQOYGCGSA-N 353.426 0.948 0 1 FCAF CN(C)C[C@@H]1O[C@@H]2C[C@H](CC(=O)NCc3ccc(F)cc3)O[C@H]2[C@@H]1O 2356308702 PDWDFEMUDYFVLB-DMHIMHRUSA-N 352.406 0.679 0 1 FCAF CC[C@]1(CO)N[C@H]2C[C@]3(C(=O)N(OC)c4ccccc43)[C@H]3OC[C@H]2[C@H]1[C@@H]3O 2356567991 CWCJRENCBBKDHD-XHKOKNIESA-N 374.437 0.341 0 1 FCAF CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@H]2N2C(=O)CNC(=O)[C@@]12C 36388994 FEOMGARLWMTGRK-BGIGGGFGSA-N 374.393 0.655 0 3 FCAF 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C[C@@H](O)C=C[C@@H]1[C@H](C)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356425137 GKKBUYRPOITASA-ILAIXQBPSA-N 374.474 0.181 0 1 FCAF OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O 3870784 XSMYYYQVWPZWIZ-CYFJXOGMSA-N 369.809 0.446 0 1 FCAF CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3ccc4c(c3)OCO4)CO[C@H]12 4235752 DNPHHSBRSXGNQB-CJYSPXJISA-N 364.354 0.426 0 1 FCAF biogenic COC(=O)c1ccc(C(=O)NCCCNCCCCNCCCN)cc1 13645785 NFMYWPCUTOYNSC-UHFFFAOYSA-N 364.490 0.901 0 1 FCAF CC(C)CC(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](O)CC(N)=O)C(C)C 26988269 RLCRPAALSXZAIG-JJRVBVJISA-N 357.495 0.941 0 1 FCAF CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(=O)O 2356872335 YRRCOJOXAJNSAX-MJBXVCDLSA-N 356.467 0.049 0 1 FCAF CC1CCN(Cc2nnnn2CCCC(=O)N(C)[C@@H]2CCOC2)CC1 12704525 FKRHGYJNNVNZOS-OAHLLOKOSA-N 350.467 0.933 0 3 FCAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSC(F)(F)F)[C@@H](O)[C@@H]1O 17210800 SVAPYGHZOUZUSS-UHTZMRCNSA-N 351.310 0.281 0 1 FCAF 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CCC/C=C1/OC(=O)c2c(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cccc21 13380517 LNWJAAMNXBMBCE-DVKVHWCPSA-N 366.366 0.177 0 1 FCAF in-man Cn1c(=O)c2c(nc3n2CCCN3CCOCc2ccccc2)n(C)c1=O 13554883 MQIHJBCYRAVBJC-UHFFFAOYSA-N 369.425 0.861 0 1 FCAF Cc1cn(C/C=C/Cn2c(=O)n3c4c(cccc42)C[C@@H](N)C3)c(=O)[nH]c1=O 66263257 RAQGAPLVLNFHCE-BAABZTOOSA-N 367.409 0.101 0 1 FCAF O=C1c2cc3c(cc2OCN1CCn1cncn1)C(=O)N1CCC[C@H]1O3 72175331 PEEMZQFGCRGTCU-OAHLLOKOSA-N 355.354 0.725 0 1 FCAF COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)O)O[C@H](CO)[C@H]1O2 95901182 IBLCTBDNYJNFBT-OFPHWGNKSA-N 351.355 0.741 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3cn[nH]c3cc2[nH]1 587217884 DBMSURABFJANFE-IUCAKERBSA-N 374.357 0.263 0 1 FCAF CC(C)(C)CN1C(=O)CC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(N)=O 1857567675 PTNLLTJUBCGIIP-HUUCEWRRSA-N 373.453 0.805 0 1 FCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCC3)[C@@H](O)[C@@H]2O1)NCc1cccnc1 2356289373 UVODMOVBFFXOQF-AEXBHSQCSA-N 361.442 0.516 0 1 FCAF CNC(=O)[C@H](c1cccc(O)c1)N1CCC[C@H]1C(=O)N(C)CCN(C)C 2356302263 PZOWNIYRXCECEP-IRXDYDNUSA-N 362.474 0.664 0 1 FCAF Cc1cn([C@H]2C[C@H](O)[C@@H](CCC(=O)NCc3ccco3)O2)c(=O)[nH]c1=O 61935953 DCHAVIDNTLFWJM-GZBFAFLISA-N 363.370 0.183 0 3 FCAF CCC(=O)[C@@]12N[C@H]3C[C@@]4(C(=O)N(OC)c5ccccc54)[C@@H](OC[C@H]31)[C@@H]2O 2356474252 KCKQVEIIPULRFW-XYXFGVHASA-N 358.394 0.302 0 1 FCAF Nc1nc(Cl)c2ncn(C[C@H](NC(=O)Cc3ccccc3)C(=O)O)c2n1 28713616 ZEPRJXMTCLQROW-JTQLQIEISA-N 374.788 0.874 0 1 FCAF NC(=O)CO[C@@H]1CO[C@H]2[C@@H](n3nnnc3Sc3ccccc3)CO[C@H]21 2356834801 KEVWBCMQMKBBEU-XCCSTKFXSA-N 363.399 0.034 0 1 FCAF O=C(O)C[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)C1 39029165 GJZFYEMLDRKGMP-WNWKMIQMSA-N 352.339 0.039 0 1 FCAF biogenic,in-vitro CO[C@@H]1CN2Cc3cc4c(cc3[C@@H]3[C@H](OC(C)=O)[C@@H](O)C=C1[C@@H]32)OCO4 85999975 UYHFAWKTYPQDCQ-BIIJJZAFSA-N 359.378 0.944 0 1 FCAF biogenic CNC(=O)[C@H]1C[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587233802 ATABSWPFGLQXNJ-KGLIPLIRSA-N 371.441 0.163 0 1 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363.465 0.934 0 1 FCAF CN1CCNC(=O)[C@@H]1CC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 12589545 AALNMZNOXPQYTB-KRWDZBQOSA-N 362.449 0.680 0 1 FCAF Nc1nc(N2CCN3C[C@H](CO)CC[C@H]3C2)cc2nc(-c3ccco3)nn12 13585765 ZVDHOEUVHHSDMO-OLZOCXBDSA-N 369.429 0.859 0 1 FCAF CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14947836 GJZJZRWFRZFTEE-OBNZPCQWSA-N 374.430 0.029 0 1 FCAF endogenous,in-man C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CCO[C@@H]3CN(C)C)[C@H](C)[C@H]12 26833194 INDZQOVYHAIJNJ-PCEBWVJKSA-N 370.471 0.592 0 1 FCAF CC1=C(C(=O)O[C@@H]2CCCN(C)C2)[C@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 35581513 RCTYEPKUIQTYDB-HQOQDVMHSA-N 358.394 0.274 0 1 FCAF CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@H](CCCCN)C(=O)O 39810989 AEMPCGRFEZTWIF-HZSPNIEDSA-N 358.483 0.199 0 1 FCAF biogenic COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)O)O[C@H](CO)[C@@H]1O2 95794310 IBLCTBDNYJNFBT-IMLJOKKJSA-N 351.355 0.741 0 1 FCAF CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)CN(C)C)C2 95794700 CURDFIDYUHCYNQ-SJLPKXTDSA-N 374.485 0.707 0 1 FCAF CNC(=O)CN1C(=O)CN(C(=O)COC)CC[C@H](OC)c2ccccc21 299852834 YDSBXQYFCTZVSA-HNNXBMFYSA-N 363.414 0.332 0 1 FCAF COC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@@H](O)C(=O)O)nc2c1 586884838 AWICAMGGCWYINA-RKDXNWHRSA-N 359.132 0.591 0 1 FCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)N1 587830718 UJWHGAUUAGNGBG-KXDZZASYSA-N 364.211 0.239 0 1 FCAF CC1=C(c2ccc3nc([C@H]4[C@H](C(=O)O)[C@@H]4C(=O)O)[nH]c3c2)NNC(=O)C1 587970224 DHZQZAWYSHCGGP-XYYAHUGASA-N 356.338 0.817 0 1 FCAF CN[C@@H](C)C(=O)N[C@@H](CCN)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 1857649581 OGPPCKXNYBRMMQ-RCBQFDQVSA-N 372.473 0.668 0 1 FCAF Cc1ncc(COP(=O)(O)O)c(CN[C@H](C)P(=O)(O)O)c1O 2047750 WHDCJKAOZPBUAY-ZETCQYMHSA-N 356.208 0.318 0 1 FCAF in-vivo Nc1ncnc2c1ncn2CCOC[P@@](=O)(O)OCC(F)(F)CO 29548098 FUNSPJSEBGPQED-UHFFFAOYSA-N 367.249 0.212 0 1 FCAF Cc1ccc(C2=NN(CC(=O)NCCN3CCOCC3)C(=O)CC2)cc1 20723573 MQDFKMMCOIZVMP-UHFFFAOYSA-N 358.442 0.770 0 1 FCAF CS(=O)(=O)c1ccc2[nH]c3c(c2c1)/C(=C1\NC(=N)N=C1O)CCNC3=O 34410012 JLURJYFTBPPTGG-WQLSENKSSA-N 373.394 0.910 0 1 FCAF CN1CCN(S(=O)(=O)c2ccc(Sc3nccn3C)nc2)CC1 34859747 YOLSWSFZNILWBC-UHFFFAOYSA-N 353.473 0.902 0 1 FCAF CC1=C(C(=O)O[C@@H]2CCCN(C)C2)[C@@]2(O)C(=O)c3ccccc3[C@]2(O)N1 35581511 RCTYEPKUIQTYDB-QQGDVQBRSA-N 358.394 0.274 0 1 FCAF O=CNCCCC[C@@H](NC(=O)[C@H]1COC(c2ccccc2O)=N1)C(=O)O 14768992 AORLEWGZMFBGQF-CHWSQXEVSA-N 363.370 0.023 0 1 FCAF biogenic COc1cccc(CNC(=O)C[C@H]2C=C[C@H](NC(=O)C3CC3)[C@@H](CO)O2)c1 95903835 VFXNSGNFMQFRLQ-FGTMMUONSA-N 374.437 0.912 0 1 FCAF N[C@@H](CC[P@](=O)(O)[C@H](O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)O 164917706 CPZRJQKWUIYUKI-KGFZYKRKSA-N 363.219 0.566 0 1 FCAF C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)CCN)CC(=O)O1 253750199 IRCDUPSHISIJOZ-GNUOACLMSA-N 373.515 0.872 0 1 FCAF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 34769253 MRIDWVSVNKEVEJ-ROUUACIJSA-N 353.422 0.947 0 1 FCAF in-vivo Cc1ccc2nc(C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2c1C 587222859 USGPVVHZFPLJDW-JQWIXIFHSA-N 362.386 0.484 0 1 FCAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c12 587969875 AWRJCVRBZUWDLL-OWUUHHOZSA-N 353.356 0.312 0 1 FCAF C[C@H](O)[C@]1(O)CC[C@]2(O)[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3[C@@H](O)[C@]2(O)C1 2356435766 OLHRMWGUPWKSSC-JAMUERSHSA-N 368.470 0.233 0 1 FCAF COC(=O)[C@H]1C=NN[C@@H]1C(=O)N1[C@H]2C[C@@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 6004564 NSWMFSVTQOTTRV-VZAVHYRXSA-N 369.443 0.100 0 1 FCAF CC(C)C(=O)NCCNC[C@@H](O)COc1ccccc1NS(C)(=O)=O 27107994 NNSXTFSILUQEON-CYBMUJFWSA-N 373.475 0.160 0 1 FCAF C[N+]1=CNC[C@]1(C)C[C@H](NC(=O)c1cc(Br)c[nH]1)C(=O)O 26385716 SUQOMBNELBOXBZ-GWCFXTLKSA-O 358.216 0.383 0 1 FCAF CO[C@H](C=C[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](O)[C@@H]1CC=CC(=O)O1 2356739007 STNNWPKHRBGYMO-HARJADFCSA-N 356.371 0.674 0 1 FCAF CCC=CC[C@H]1[C@@H](CC(=O)O)CC[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356754481 GJZJZRWFRZFTEE-AHOUBVEHSA-N 374.430 0.029 0 1 FCAF CO[C@@]12C[C@H](CNC(=O)c3cc(Br)c[nH]3)O[C@@H]1NC(=O)N2 38824385 WRJYHSZMHSXLMX-VHRDEZTHSA-N 359.180 0.278 0 1 FCAF C[C@]1(n2cnc3c(N)nc(Cl)nc32)O[C@](C)(CO)[C@@](C)(O)[C@]1(C)F 95535341 VIEGSXWXKHSQIV-RQJABVFESA-N 359.789 0.995 0 1 FCAF C[C@@]1(F)[C@](C)(n2cnc3c(N)nc(Cl)nc32)O[C@](C)(CO)[C@@]1(C)O 95535343 VIEGSXWXKHSQIV-XJFOESAGSA-N 359.789 0.995 0 1 FCAF Nc1ncc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2n1 586946891 REAIGKGOQHFEBY-NSHDSACASA-N 374.426 1.059 0 1 FCAF COc1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2c1 587221379 PNVCEKXVOZWQBP-GXSJLCMTSA-N 364.358 0.396 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(F)c(F)cc2[nH]1 587223039 VFXJITJZCWONJJ-DTWKUNHWSA-N 370.312 0.665 0 1 FCAF CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O 13541546 GLYJPWIRLBAIJH-XUXIUFHCSA-N 356.467 0.049 0 1 FCAF biogenic COC(=O)[C@@]1(CCSC)N[C@@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 20150433 WDARWSXAQTXDTN-BUWBCJGYSA-N 352.412 0.820 0 1 FCAF COc1ccccc1CNC(=O)C[C@H]1CC[C@@H](NC(C)=O)[C@H](CO)O1 95906644 AEKMALSEBJWOQY-INMHGKMJSA-N 350.415 0.746 0 1 FCAF C[C@@H]1C[C@H]2OC(=O)[C@@H](CN(C)C)[C@H]2[C@H](O)[C@]2(C)C(=O)C[C@H](N(C)C)[C@@H]12 169322686 YQNPPNZPJWYAIQ-ZTVKZFDJSA-N 352.475 0.632 0 1 FCAF OC[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@H](N2CCOCC2)[C@H]1O 2356599131 OJZZOFBTOMSNDT-QZWWFDLISA-N 356.850 0.251 0 1 FCAF CC(C)[C@@H](C(=O)O)N1C(=O)[C@@H](NC(=O)COc2ccccc2)C[S@@]1=O 26186100 HLGQZFUFTPQUJA-VFYQPRLDSA-N 368.411 0.165 0 1 FCAF CN1CCN(CCOc2ccc3c(=O)nc(N4CCOCC4)oc3c2)CC1 28713190 BDFPELHCCPJTFK-UHFFFAOYSA-N 374.441 0.651 0 1 FCAF COC(=O)C[C@H](NC(=O)C(=O)c1ccccc1NC(C)=O)C(=O)OC 473119692 MGPQVZXDXKBJGP-LBPRGKRZSA-N 350.327 0.049 0 1 FCAF CC(=O)C[C@]1(C2C(=O)N(C)C(=O)N(C)C2=O)NCCc2ccc(O)cc21 963353317 QOEQGSIYWUACRI-SFHVURJKSA-N 359.382 0.379 0 1 FCAF Cc1cccnc1CNC[C@@H]1O[C@@H]2C[C@H](CC(=O)NC(C)C)O[C@H]2[C@H]1O 2356290214 LZDIFKYGNNQXOF-XYYYAOKXSA-N 363.458 0.680 0 1 FCAF CC[C@]1(C)C(=O)O[C@@H]2CCN3C[C@H](O)[C@H](COC(=O)[C@H](C)[C@]1(C)O)[C@@H]23 2356625522 PBNZHFUUVMKYRC-LVUHPGALSA-N 355.431 0.323 0 1 FCAF CN(CCc1ccccn1)[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](NCc2cccn2C)[C@H]1O 2356849413 PWDOMGMXBCJEEM-OBKDMQGPSA-N 372.469 0.537 0 1 FCAF CCCCCCNc1nc2c(ncn2[C@H]2C[C@H](O)[C@H](CO)O2)c(=O)[nH]1 40440482 YRFCNNWEMPTGEQ-SDDRHHMPSA-N 351.407 0.753 0 1 FCAF CCO[C@H]1N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C(O)[C@@]1(C)Br 84758852 BMLVQJNITGJOAB-WQQMMQCWSA-N 367.196 0.363 0 1 FCAF COc1cccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c1 102976135 AIJQSTUPFONWLS-VULZFCBJSA-N 366.421 0.750 0 1 FCAF CC(C)Cc1ccc2[nH]cc(OC(=O)[C@@H]3O[C@](O)(CO)[C@H](O)[C@@H]3O)c2c1 2356295771 YAKJRLLCMGXVPI-YFHUEUNASA-N 365.382 0.073 0 1 FCAF CC(=O)N1CCC(N[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](n3cc(Cl)cn3)[C@@H]2O)CC1 2356297256 QUWOWKVUSOKKIB-LJIZCISZSA-N 370.837 0.163 0 1 FCAF COCCc1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2cccnc2)n1 2356347198 DELVIEMVSRKDHB-MANSERQUSA-N 372.469 0.751 0 1 FCAF Cn1cc(CN[C@@H]2[C@H](c3ccc(N4CCOCC4)nc3)C[C@H](O)[C@@H]2O)cn1 2356466126 UKENDCQARCDIPV-DKKFBQAASA-N 373.457 0.019 0 1 FCAF O=C(NCCN1CCCC1)C1CCN(S(=O)(=O)N2CCCCC2)CC1 2933178 IOWHEIDZELQNKM-UHFFFAOYSA-N 372.535 0.641 0 1 FCAF CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1coc([C@H](C)N)n1)C(=O)O 14964034 SUQGGVCQFAQUEH-URBCHYCLSA-N 366.418 0.914 0 1 FCAF COc1cc2nc(NC[C@@H](O)CO)nc(NC[C@H](C)O)c2cc1OC 82129388 KJHCVKNXFXWOFH-VHSXEESVSA-N 352.391 0.205 0 1 FCAF CCO[P@](=O)(OC[C@@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1)C(N)=O 169347850 YYIWPMAUMHFKEN-BYGADWOMSA-N 359.275 0.624 0 1 FCAF CCCCS(=O)(=O)NCCNC(=O)N[C@@]1(C(=O)OCC)CC1(C)C 299869825 VJZCBWKUXGJVDI-OAHLLOKOSA-N 363.480 0.737 0 1 FCAF C[C@H](O)CC(=O)O[C@@H]1CN2Cc3cc4c(cc3[C@@]13C=C[C@@H](O)C[C@H]23)OCO4 2356420600 IDBLRTJXYSJNAB-LSWGINGDSA-N 373.405 0.854 0 1 FCAF O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(C(=O)C3CCCC3)C[C@H]12 2356844145 NRZFVCDJMORVCV-IAGOWNOFSA-N 355.438 0.957 0 1 FCAF Cc1cn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n(CCCc2ccccc2)c1=O 17419432 LGNMCLVPLLWTIZ-BRWVUGGUSA-N 360.410 0.592 0 1 FCAF CN1CCN(C[C@@](O)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)CC1 26837179 ANSCFCQCBHLZNY-FPOVZHCZSA-N 373.497 0.759 0 1 FCAF O=C(Cc1ccncc1)NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1 95904388 DKJDFTZDOJIVOW-IXDOHACOSA-N 361.442 0.565 0 1 FCAF CN(C)C(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 95908051 ACJRMYKVRUMDSA-BPLDGKMQSA-N 354.428 0.128 0 1 FCAF CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc(OC)c(OC)c1 169353654 WKHWLWLJZZVBMX-ZIAGYGMSSA-N 363.370 0.546 0 1 FCAF N=c1[nH]cc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)nc-2[nH]1 587204106 UVNVOKLGOHMCJJ-SNVBAGLBSA-N 356.342 0.639 0 1 FCAF C[C@@H]1C(=O)OCC(=O)N(C)[C@@H](Cc2ccccc2)[C@@H](O)CC(=O)O[C@@H]1C 29327273 XLFLWCGFMHRVNS-XRGAULLZSA-N 363.410 0.932 0 1 FCAF COCC(=O)N1[C@H](CNC(=O)c2ccccn2)[C@H](c2ccccc2)[C@@H]1CO 95894984 GTTXVUOBMUATPQ-AOIWGVFYSA-N 369.421 0.813 0 1 FCAF COc1ccccc1S(=O)(=O)Nc1nc2c(OC)cnc(OC)n2n1 103195669 QOIVYTBTANOGEV-UHFFFAOYSA-N 365.371 0.951 0 1 FCAF C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@]2(O)C[C@H](O)[C@@H](C)[C@@H]42)[C@]13C 257438143 HQUSKUTUDDZKOD-AXDGYJTQSA-N 368.470 0.247 0 1 FCAF endogenous,in-man CCOC(=O)[C@H]1[C@@H](O)C(=O)N(C)C12CCN(C(=O)c1ccccc1)CC2 299852021 MEHDUMLNZHFLRQ-HUUCEWRRSA-N 360.410 0.674 0 1 FCAF CC(C)c1nn(C)c2c1[C@H](c1c(N(C)C)n(C)c(=O)n(C)c1=O)NCC2 962920249 MGDYWTBNAKNSBY-OAHLLOKOSA-N 360.462 0.242 0 1 FCAF COC(=O)[C@H](CSC(=S)NCCCC[S@](C)=O)NC(C)=O 1857595139 XEDOXVCSTUNYFR-CWKPULSASA-N 354.519 0.431 0 1 FCAF COCC(=O)N[C@@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccc(OC)cc3)CO[C@@H]21 2356828730 IKJKBWYVCWMPFD-RRCSTGOVSA-N 366.370 0.541 0 1 FCAF Cc1cc(CNCCNc2nc(N)n3nc(-c4ccco4)nc3n2)no1 13612390 UECVJPLQAVUTGF-UHFFFAOYSA-N 355.362 0.860 0 1 FCAF OC[C@H]1O[C@@H](n2cnc3c(-c4ccc(F)cc4F)ncnc32)[C@H](O)[C@@H]1O 34008741 CYVXCFNQAASFQX-DSPGLSBSSA-N 364.308 0.383 0 1 FCAF Nc1nc(NC2CC2)c2ncn(C[C@H](CF)OCP(=O)(O)O)c2n1 71318393 UFZJAPCFBPHQNK-QMMMGPOBSA-N 360.286 0.473 0 1 FCAF COC(=O)[C@H](CC(=O)O)OC(=O)/C=C/c1cc(OC)c(O)c(OC)c1 238737793 UBQMBIFYXNOHMG-ITKZLYELSA-N 354.311 0.982 0 1 FCAF Nc1nc(O)c2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2n1 587202733 LFQZQWFEOQRHHI-VIFPVBQESA-N 372.341 0.563 0 1 FCAF O=C(NCC1(COc2cccnc2)C[C@@H](O)[C@H](O)C1)C1CCOCC1 2356608472 QEVBVJWGBKOLGQ-HZPDHXFCSA-N 350.415 0.505 0 1 FCAF CN1CCN(c2nc(N3CCN(CCO)CC3)nc3ccccc23)CC1 784869 YXCLBHFFUDSBQG-UHFFFAOYSA-N 356.474 0.496 0 3 FCAF CC[C@@H](C)[C@@H](N)c1cn([C@@H](CCC(=O)O)C(=O)N2CCNCC2)nn1 13478120 NPWJFBWILTYILH-OSAQELSMSA-N 352.439 0.162 0 3 FCAF CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCNOCC3)c(F)c2)C(=O)O1 96910065 FHSXLIGCBUZSOK-LBPRGKRZSA-N 370.356 0.767 0 1 FCAF CC(C)Cc1ccc2[nH]cc(OC(=O)[C@@H]3O[C@](O)(CO)[C@@H](O)[C@H]3O)c2c1 2356295766 YAKJRLLCMGXVPI-UIBIWLFHSA-N 365.382 0.073 0 1 FCAF O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)C3CCCC3)C[C@@H]12 4260224 WKGXSBZOKRYKMT-IRXDYDNUSA-N 371.437 0.663 0 1 FCAF biogenic CCCC[C@@H](C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49125354 PDKQCNBMCLLTTG-ZGOQAQPGSA-N 351.407 0.428 0 1 FCAF CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1 95887795 XUIBJKJBLJUMMA-NXOAAHMSSA-N 368.474 0.791 0 1 FCAF C[C@@H](O)[C@H]1O[C@@H](n2cc(-c3ccn[nH]3)c3c(N)ncnc32)[C@](C)(F)[C@@H]1O 205831425 BGXDVDZFHLYKQJ-LMEIGNDISA-N 362.365 0.771 0 1 FCAF Nc1ncc(-c2nc3ccccc3o2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 207462811 QMMOWKHZDYFVMV-GFCLTOETSA-N 357.370 0.382 0 1 FCAF CN(C)Cc1ccc2c(N3CCOCC3)nc(-c3cnc(=N)[nH]c3)nn12 474609891 WSWCLXVJLKSWDU-UHFFFAOYSA-N 354.418 0.497 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3cn[nH]c3cc2[nH]1 587217882 DBMSURABFJANFE-DTWKUNHWSA-N 374.357 0.263 0 1 FCAF COc1ncc([C@@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1C 963225346 UITSUEVFAAFDQR-OFQRWUPVSA-N 367.409 0.969 0 1 FCAF Nc1ncnc2c1c(-c1ccccc1F)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1857548516 FYGLHGGRAWLOBJ-LSCFUAHRSA-N 360.345 0.431 0 1 FCAF CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)[C@@H](C)N)[C@H]1NC(C)=O 1857770584 VETPHDNRZOQZLK-KYQLBWAOSA-N 355.435 0.312 0 1 FCAF COc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1C(C)(C)C 2356379452 VCLBQBHTILPHKD-USRAEIGSSA-N 356.371 0.264 0 1 FCAF CN(C)Cc1cn([C@@H]2CO[C@@H]3[C@H](NC(=O)C4CCCCC4)CO[C@@H]32)nn1 2356850859 QBFDDMSJZCUGQO-QBPKDAKJSA-N 363.462 0.744 0 1 FCAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1OCCN1CCN(c2ncccn2)CC1 28469388 BKUHRNRFWGGTNN-FZKCQIBNSA-N 369.425 0.337 0 1 FCAF CN1C(=O)[C@H]2[C@@H](N=C(N3CCCNCC3)N2Cc2ccccc2)N(C)C1=O 36350337 BLGUSSSWRVVDJB-CVEARBPZSA-N 370.457 0.372 0 1 FCAF COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(C)CC(=O)N1[C@H]2CO 45349056 HRJGGNOQRKROAT-AAEUAGOBSA-N 350.415 0.753 0 1 FCAF CCOP(=O)(C[C@H]1C[C@@H](N2C=N[C@@H]3C(N)=NC=N[C@@H]32)ON1C)OCC 169362887 KKDGZVAZUCAFOM-GFQSEFKGSA-N 372.366 0.652 0 1 FCAF CCOC(=S)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)c(O)c1 2356860195 UCRLHRLMYSVFGS-MQQITINDSA-N 373.427 0.010 0 1 FCAF C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)CO)c[nH]1 14962763 UQSUHZYCCQIWGQ-SXGWCWSVSA-N 369.381 0.997 0 1 FCAF Cc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 27408209 OOEMZCZWZXHBKW-OYUZRVEBSA-N 371.397 0.358 0 1 FCAF biogenic CCOCCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)C[C@H](CC)N2 82208145 XHZFITOUMITVLV-NSHDSACASA-N 354.407 0.226 0 1 FCAF CN(C)C(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 95908053 ACJRMYKVRUMDSA-NWANDNLSSA-N 354.428 0.128 0 1 FCAF C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5C(=O)O[C@]3(C(=O)O[C@@H]4C[C@H]5C(C)(C)C)[C@]21O 101075362 LYDSQQARURFTGF-WTWLQYCHSA-N 350.367 0.572 0 1 FCAF CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C(=O)O)C(C)C 103217498 NPXGFQLFZNMQJW-HOCLYGCPSA-N 363.414 0.075 0 1 FCAF COC(=O)[C@@H]1C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(O)c1 169690054 PRRXRCDACPQFHX-OLZOCXBDSA-N 357.366 0.817 0 1 FCAF OC[C@@H](O)[C@@H](O)[C@H](O)c1[nH]c2cc(Cl)c(F)cc2c1N1CCOCC1 587631752 LJRNOTALWWTWNP-DAXOMENPSA-N 374.796 0.545 0 1 FCAF CN1CCN(S(=O)(=O)c2ccc(-c3ccn(CC(=O)O)n3)cc2)CC1 957921599 RAZRRSAUFSHBIT-UHFFFAOYSA-N 364.427 0.571 0 1 FCAF O=C1[C@@H]2Cc3nc[nH]c3[C@]3(CCCN4CCC[C@@H]43)N2C(=O)[C@@H]2CCCN12 963209420 WSPQYHZGWKDUAP-XTDOFWJNSA-N 355.442 0.621 0 1 FCAF COc1cc(O)c2c(c1C)[C@H](C)[C@](O)(CSC[C@@H](O)C(=O)O)OC2=O 1857749644 LRFLSZUUMSTQQS-XDBGJTNISA-N 372.395 0.850 0 1 FCAF COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CC=c4c([nH]c5ccccc45)=C3C[C@H]21 2356875181 HFJRBVGHYJNYRT-SNTIZLKRSA-N 352.434 0.952 0 1 FCAF C[C@H](N)C(=O)N[C@H](CCC(=O)NC12CC3CC(CC(C3)C1)C2)C(N)=O 5734704 MXWDHKDTQAPDQD-WZDKYTMSSA-N 350.463 0.169 0 1 FCAF COC(=O)[C@@H](O)[C@]1(C(=O)OC)[C@@H]2O[C@@H](OC)[C@@H]1CCCCCC[C@H]2O 6002910 QRAXLURWTQDKIH-DZQXEETGSA-N 360.403 0.382 0 1 FCAF CCn1c2cc(N3CCN(C)CC3)c(F)cc2n2c(=O)n(O)c(=O)cc12 13650478 ONSMROORCAFMFX-UHFFFAOYSA-N 361.377 0.564 0 1 FCAF CCOC(=O)Cn1c(=O)c(-c2noc(C)n2)nn(-c2ccc(C)cc2)c1=O 21365116 NGHFLDVKKYSDLR-UHFFFAOYSA-N 371.353 0.624 0 1 FCAF CO[C@H]1N([C@@H]2C[C@@H](F)[C@@H](CO)O2)C(O)=NC(=O)[C@]1(C)Br 27107869 DUICDJHBRPQIQD-RZBPYSQRSA-N 355.160 0.314 0 1 FCAF CC1(C)NC(=N)NC(=N)N1OCc1nc(N)nc(Nc2ccccc2)n1 45324271 HTXWCYUKPYIRRX-UHFFFAOYSA-N 356.394 0.729 0 1 FCAF CC(C)NC(=O)N[C@H]1CC[C@@H](CC(=O)NCCN2CCCC2)O[C@H]1CO 95907490 FTIYXGGJAAWHHL-JYJNAYRXSA-N 370.494 0.205 0 1 FCAF CC(=O)C[C@@]1(C2C(=O)N(C)C(=O)N(C)C2=O)NCCc2ccc(O)cc21 963353315 QOEQGSIYWUACRI-GOSISDBHSA-N 359.382 0.379 0 1 FCAF CCCC[C@@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1)C(=O)C(N)=O 1857557625 LFXDTERONWZVMW-HUUCEWRRSA-N 359.426 0.907 0 1 FCAF N=c1nc(NC(=O)Nc2ccccc2)[nH]n1-c1ccc(S(N)(=O)=O)cc1 1857603325 MDFYLPAPFMHRAH-UHFFFAOYSA-N 373.398 0.971 0 1 FCAF CNC(=O)[C@H](c1ccccc1)N1CCC[C@H]1C(=O)N1CCN(C(C)=O)CC1 2356629022 OQXCBUIJKDAHMN-ROUUACIJSA-N 372.469 0.629 0 1 FCAF CC1(C)CCC[C@]2(C)[C@H](C=C[C@](C)(O)[C@@H](O)CO)[C@](C)(O)[C@H](O)[C@H](O)[C@H]12 2356732203 FWILCTKPZALIAU-TVJCRXAUSA-N 372.502 0.582 0 1 FCAF C[C@@](Cc1ccccc1)(NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)O 27075037 UIFMTKGGCZRFRP-FTRWYGJKSA-N 373.453 0.932 0 1 FCAF C[C@@H](c1ccc(Br)cc1)n1nnc2c(C(N)=O)ncn2c1=O 139914016 XFMMAAAFJJLZJD-ZETCQYMHSA-N 363.175 0.757 0 1 FCAF C[C@H]1O[C@H](O)[C@@H]2[C@H]3C[C@@H]4N(CC[C@@]45c4ccccc4N(C(=O)CO)[C@@H]25)C[C@H]31 238750233 DCCKZUSAIKUCMB-CZCWFSCQSA-N 370.449 0.709 0 1 FCAF CCOC(=O)C1CCN(NC(=O)C(=O)Nc2ccc3c(c2)OCO3)CC1 653779486 YAIGEBAXEHPIGI-UHFFFAOYSA-N 363.370 0.660 0 1 FCAF COc1ccc(CNC(=O)C[C@@H]2C[C@@H]3O[C@H](CN(C)C)[C@H](O)[C@H]3O2)cc1 2356289118 PSMANQLIUTXAJF-KWWJQKEASA-N 364.442 0.549 0 1 FCAF CC(=O)CCC1=C(C)CC[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1(C)C 2356459518 PCUDAQRRXUJHQH-LVZMMCSGSA-N 372.458 0.677 0 1 FCAF Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 4102111 GKWKGTISANCLPE-UHFFFAOYSA-N 351.428 0.802 0 3 FCAF CN1CCC(N2CCN([C@@H]3CN(C4CCCC4)S(=O)(=O)C3)CC2)CC1 96021078 WUZWDKZDZDOIFY-GOSISDBHSA-N 370.563 0.655 0 3 FCAF C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H](O)CN3CC[C@@H](OC1=O)[C@@H]23 16927194 YEXVXKIMPBHRQR-CHDUSIFHSA-N 353.415 0.244 0 1 FCAF COc1cccc(CNC(=O)C[C@@H]2C=C[C@H](NC(=O)C3CC3)[C@@H](CO)O2)c1 95903602 VFXNSGNFMQFRLQ-OKZBNKHCSA-N 374.437 0.912 0 1 FCAF COc1ccccc1CNC(=O)C[C@H]1CC[C@H](NC(C)=O)[C@H](CO)O1 95906648 AEKMALSEBJWOQY-VYDXJSESSA-N 350.415 0.746 0 1 FCAF CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc3ccccc3c2)[C@H]1O 141991492 HYWXGAWINOSGGV-JFBPSJKJSA-N 363.435 0.740 0 1 FCAF C/C=C1\C(=O)O[C@@H]2CCN3CC[C@@H](COC(=O)[C@](C)(O)[C@@H](C)[C@@H]1O)[C@H]23 195514979 FAFYHPIEFKLDSP-DWILPVADSA-N 353.415 0.244 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cccc(O)c2[nH]1 587217538 BKRIPXNCYNWKNM-IONNQARKSA-N 350.331 0.093 0 1 FCAF CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 1857618680 UOMFPTTUGGTMCK-AWEZNQCLSA-N 352.460 0.791 0 1 FCAF CCOC(=O)C1=C(Cn2cc(CO)nn2)N(C)C(=O)N[C@H]1c1ccccc1 1857773508 SVDREOPNWWFGRT-INIZCTEOSA-N 371.397 0.984 0 1 FCAF Cn1nc(C2CN(S(=O)(=O)c3ccc4c(c3)OCO4)C2)c2nccnc21 1857773587 OWMRVZHLJHPIIK-UHFFFAOYSA-N 373.394 0.880 0 1 FCAF COCCNC(=S)NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCSCC1 2356561444 DJDFICGTUUCDHP-OAGGEKHMSA-N 372.604 0.856 0 1 FCAF COC(=O)C[C@H](C(=O)O)[C@@H](OC(=O)C=Cc1ccc(O)cc1)C(=O)O 2356811615 BFIZTMTYNBJRSW-SMDDNHRTSA-N 352.295 0.666 0 1 FCAF CC1(C)N=C(N)N=C(N)N1c1cccc(CNC(=O)N2CCOCC2)c1 16956088 OUUBUQCYUIVBMR-UHFFFAOYSA-N 359.434 0.414 0 1 FCAF Nc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 84634836 AZXCIBRWWRNGNP-GFCLTOETSA-N 373.438 0.850 0 1 FCAF Oc1ccc2c3c1O[C@@H]1C4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@@]315)NN4 169369396 PPIOVCQBGJKBCK-ZWQIFLOQSA-N 355.438 0.760 0 1 FCAF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(C(N)=O)cc3[nH]2)c1 586936286 PDVKBRZCLXEOEM-UHFFFAOYSA-N 373.394 0.092 0 1 FCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCC3)[C@H](O)[C@H]2O1)NCc1cccnc1 2356289375 UVODMOVBFFXOQF-KWWJQKEASA-N 361.442 0.516 0 1 FCAF N=C(N)c1ccc(C(=O)NCCCNC(=O)c2ccc(C(=N)N)cc2)cc1 73277526 KMMZFFKRANKTBW-UHFFFAOYSA-N 366.425 0.805 0 1 FCAF CCC(=O)N[C@H]1CC[C@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO 95676354 FOYMHNRGVNUWHD-OWCLPIDISA-N 355.479 0.413 0 1 FCAF Cn1c(=O)c2c(ncn2CCCN2CCc3ccccc3C2)n(C)c1=O 299825206 XJIMKOIBDQUUBO-UHFFFAOYSA-N 353.426 0.882 0 1 FCAF Oc1nc(O)c(I)c(-c2nc3cnncc3[nH]2)n1 587182412 OBGMYJGCBBGVTC-UHFFFAOYSA-N 356.083 0.826 0 1 FCAF CC(=O)OCC1=C2CC[C@H]3[C@@H]([C@@H]2OC1=O)[C@@](C)(O)[C@@H](OC(C)=O)C[C@H]3O 2356627261 BVUOEMQPQZHKOS-MLBYTJORSA-N 368.382 0.245 0 1 FCAF CS(=O)(=O)N[C@@H]1CO[C@@H]2[C@H](Nc3nccc(-c4ccco4)n3)CO[C@H]12 2356831861 JSKGJBRYQQIGJQ-HBJVGIJOSA-N 366.399 0.233 0 1 FCAF O=C(C[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@H](O)[C@H]1O)N1CCCC1 2356860397 UEYANEOSCIZVRY-MVJTYMMSSA-N 368.861 0.931 0 1 FCAF CCc1ccc([C@H](C)NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cc1 1004723 JCDHKTGCZQKWIS-LBPRGKRZSA-N 369.425 0.874 0 3 FCAF COc1ncnc2c1ncn2CCCN1CCN(c2ncccn2)CC1 61922625 YFAZJTXPDASPPS-UHFFFAOYSA-N 354.418 0.837 0 3 FCAF Cn1c(=O)cnn(CCCCNCc2cccc(-n3cccn3)n2)c1=O 13782312 LNEJMANYBRPGTJ-UHFFFAOYSA-N 355.402 0.093 0 1 FCAF OC[C@H]1O[C@@H](n2cnc3nc4cc(Cl)c(Cl)cc4nc32)[C@H](O)[C@@H]1O 49031293 WCDLKFDMGMUZSG-ZHSDAYTOSA-N 371.180 0.898 0 1 FCAF C=CS(=O)(=O)NC[C@H]1C[C@@H]2O[C@H](CO)[C@@H](OCc3ccccc3)[C@@H]2O1 220716399 JFJAVLNQVAOWLL-ZHCJQAHYSA-N 369.439 0.552 0 1 FCAF N=c1ccc(-c2nc(N3CCOCC3)nc3c2C[C@H]2COCCN32)c[nH]1 1857585135 BZNSXRRFSXPCLY-ZDUSSCGKSA-N 354.414 0.549 0 1 FCAF C[C@]12CC[C@@H](O)[C@](C)(CO)[C@@H]1CCC(=O)[C@H]2CC=C1C(=O)OC[C@H]1O 2356310943 WVRSQUAZLPYGMN-WSSMDBTDSA-N 352.427 0.976 0 1 FCAF COc1cccc2c1-c1c(O)cc3c(c1C2=O)[C@H](O)[C@H](O)[C@@](C)(O)[C@@H]3O 2356325723 ZHKQTTFILPJNLU-RDGPPVDQSA-N 358.346 0.805 0 1 FCAF C[C@H]1[C@H](O)[C@@]23[C@H](CC[C@H]1[C@H]2O)[C@@]12CCCC(C)(C)[C@@H]1[C@H](O)[C@@]3(O)OC2=O 2356336049 HZXNJXNYQASOMR-OEOBBZBBSA-N 366.454 0.803 0 1 FCAF COC(=O)[C@]1(O)C[C@H]2O[C@@H](COC(=O)C=Cc3ccccc3)[C@@H](O1)[C@H]2O 2356459553 RBBBFXCGIKRNMO-QXSSDPEGSA-N 364.350 0.022 0 1 FCAF C[C@H](O)[C@H]1C(=O)N2[C@@H](C(=O)OCc3ccccc3)C(C)(C)S(=O)(=O)[C@H]12 26389362 JHVPJZBVOQEORX-GZCFXPHUSA-N 367.423 0.471 0 1 FCAF COc1ccccc1OC[C@H]1N(C(=O)CS(C)(=O)=O)CC[S@@]1=O 27560738 MNRDUISQBAYENJ-RCDICMHDSA-N 361.441 0.036 0 1 FCAF NCCCNc1nc(Nc2cccc(C(N)=O)c2)c2c(=O)[nH]ccc2n1 45188657 BLNIQJVBHSNDJT-UHFFFAOYSA-N 353.386 0.921 0 1 FCAF CN(C)C(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1C(=O)C1CCCC1 95796861 HXBHCEQXWIUUFG-ZZCKCESHSA-N 373.453 0.617 0 1 FCAF O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O 653905749 MDRADRFVHCEAIO-ALMBQQNPSA-N 362.209 0.604 0 1 FCAF CN(c1nc(Nc2cnn(C)c2)ncc1Cl)[C@@H]1CO[C@@H]2[C@@H](O)CO[C@@H]21 1772600595 LKCAFNLYMQVQAH-YVECIDJPSA-N 366.809 0.570 0 1 FCAF Cc1ccc(CN2C(=O)[C@H]3C[C@@H](O)CN3C3(CN(CC4CC4)C3)C2=O)o1 2356318025 LKAMGARJRMFKDD-GDBMZVCRSA-N 359.426 0.356 0 1 FCAF O=C(O)CO[C@@H]1CO[C@H]2[C@@H](n3nnnc3SCc3ccco3)CO[C@H]21 2356864305 VTJFCGDHPYXPBW-LFSVMHDDSA-N 368.371 0.367 0 1 FCAF COC(=O)[C@H]1[C@H]2CC3=c4[nH]c5ccccc5c4=CCN3C[C@H]2CC[C@H]1O 2356875183 HFJRBVGHYJNYRT-VBRXXALCSA-N 352.434 0.952 0 1 FCAF CNn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H](CN)C3)c(F)c21 5852704 DAFFWCHEDYXIEL-MRVPVSSYSA-N 352.341 0.936 0 1 FCAF NS(=O)(=O)Oc1ccc(C(=O)c2cccc(OS(N)(=O)=O)c2)cc1 13444978 NEMACRXQAFHGPF-UHFFFAOYSA-N 372.380 0.082 0 1 FCAF in-vivo CN1C[C@@H](NC(=O)Cc2ccccc2)C(=O)N1C(=O)c1cccc(O)c1 26296663 HPJRYMNPIKEXBP-MRXNPFEDSA-N 353.378 0.949 0 1 FCAF C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C[C@H]1N(C)c1ncnc2[nH]ccc12 66252130 BUNOUGVLAYVGAE-DGCLKSJQSA-N 365.459 0.676 0 1 FCAF O=C1OC2(CCCCC2)c2ccn(C[C@H](O)CN3CCOCC3)c(=O)c21 96909309 RHBGBHLSBXNGSO-CQSZACIVSA-N 362.426 0.871 0 1 FCAF CN(C(=O)CNC(=O)/C=C/c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 198017472 RUORYYDVFWQQAD-GJBLVYBDSA-N 354.403 0.601 0 1 FCAF COc1ccc(C=CC(=O)O[C@H]2[C@@H](OC(C)=O)[C@H](O)[C@@H](C)O[C@H]2O)cc1 2356643717 CGTSPIFRZLFPQQ-LXDGOBNXSA-N 366.366 0.650 0 1 FCAF OC[C@H]1O[C@H](n2ncc3c(NCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 48999425 CBHCBQYAJCYMFS-ADAWSYLGSA-N 371.397 0.092 0 1 FCAF Nc1ccc(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cn1 587255062 XERNGTQZBDQUBD-UHFFFAOYSA-N 373.438 1.152 0 1 FCAF COCCCn1cc(CN2C[C@@H](N3CCCCC3)CS2(=O)=O)nn1 96020786 LQULWDSUNPGYSY-OAHLLOKOSA-N 357.480 0.315 0 3 FCAF CO[C@@H]1N([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC(=O)[C@@]1(C)Br 3807957 DUICDJHBRPQIQD-LJGIHTORSA-N 355.160 0.110 0 1 FCAF CCN1CCC[C@H]1CNC(=O)c1cc(NS(N)(=O)=O)ccc1OC 33857371 JEJNOOWNOVKPAM-LBPRGKRZSA-N 356.448 0.525 0 1 FCAF CCCCCCNc1ncnc2c1cnn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 48999894 ACSZVBSFLUWASC-JXFSHQFZSA-N 351.407 0.430 0 1 FCAF CS(=O)(=O)Nn1c(O)nc2cc(Cl)c(-n3ccnc3)cc2c1=O 71332445 HJHUPSUGEFKAIJ-UHFFFAOYSA-N 355.763 0.444 0 1 FCAF COc1ccc(/C=C\C(=O)O[C@H]2[C@H](O)[C@H](C)O[C@@H](O)[C@@H]2OC(C)=O)cc1 95909897 IYUGFXZFXCANKO-ACPJDNKTSA-N 366.366 0.650 0 1 FCAF biogenic,in-vitro CCN1C(=O)/C2=C3\CO[C@@](OC)([C@@H](O)CCCCC[C@]21[C@@H](C)O)[C@H]3O 103177928 YGGLUCINPIRCRP-QGKRKQDLSA-N 355.431 0.324 0 1 FCAF OC[C@H]1O[C@@H](n2cnc3c(/C=C(\O)c4ccccc4)ncnc32)[C@@H](O)[C@@H]1O 169335356 MHMCIRXDRBTNOZ-ZMDAPLDNSA-N 370.365 0.494 0 1 FCAF C[C@@H](N=c1nc(O)c2cnn(C3CCCC3)c2[nH]1)C(=O)N[C@H]1CCOC1 1857538990 PXAODIKTYVKVME-MNOVXSKESA-N 360.418 0.774 0 1 FCAF CCCN(CCC)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](NCC)[C@H]1NC(C)=O 27740310 BZVDPXGVFDPKBR-NWANDNLSSA-N 355.435 0.485 0 1 FCAF CCC(CC)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H]1O 49113396 SJVQSCPDBPXBLP-BBGACYKPSA-N 351.363 0.131 0 1 FCAF COC[C@@]1(C)O[C@](C)(n2cnc3c(N)nc(N)nc32)C(C)(C)[C@]1(C)O 95535418 XOJCHPFHGGCCBT-PMPSAXMXSA-N 350.423 0.876 0 1 FCAF CSc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O 137223751 YPVQMYOSLJXKFH-IOSLPCCCSA-N 360.288 0.322 0 1 FCAF CCCCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O 167454273 PUWYZGSAWFBGOJ-NJYNRLGGSA-N 365.390 0.151 0 1 FCAF CCC/C=C1\OC(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc21 238763531 LNWJAAMNXBMBCE-OJASEZMOSA-N 366.366 0.177 0 1 FCAF Nc1ncnc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 586942014 QCYKWBYUWZGLKR-UHFFFAOYSA-N 362.371 0.185 0 1 FCAF COCCc1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2cccnc2)n1 2356347202 DELVIEMVSRKDHB-WJFTUGDTSA-N 372.469 0.751 0 1 FCAF CC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)NCCCCCN 36378345 BUWSCUVDONBMFS-UHFFFAOYSA-N 353.423 0.340 0 3 FCAF C[C@H]1[C@H]2[C@H]3O[C@@]4(O)C[C@](C)([C@@H]5C[C@H]([C@H](C)CO)[C@@]4(C)[C@@]53O)[C@@]2(O)C[C@H]1O 100781251 HQUSKUTUDDZKOD-PSTFQRIFSA-N 368.470 0.247 0 1 FCAF endogenous,in-man OC[C@@H]1O[C@@H](n2cnc3c(NC(C4CC4)C4CC4)ncnc32)[C@H](O)[C@@H]1O 36123938 RAVOWCMWQXNPDU-NBCLGQJJSA-N 361.402 0.038 0 1 FCAF CC[C@H](C)[C@H](NC(=O)c1ccccc1N)C(=O)N[C@H]1CCC(=O)NC1=O 45374931 SFNLQFSZDHFXBC-XEGUGMAKSA-N 360.414 0.335 0 1 FCAF CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 95796638 QEUXWSXMYUYUTO-HZPDHXFCSA-N 364.467 0.787 0 1 FCAF NS(=O)(=O)c1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1 95591508 PTMPPGLFZQZAPJ-UHFFFAOYSA-N 374.421 0.232 0 1 FCAF CC1=C(c2ccc3nc([C@@H](N)CCCNC(N)=O)[nH]c3c2)NNC(=O)C1 587260046 PJZXBSYEYZJKCY-NSHDSACASA-N 357.418 0.767 0 1 FCAF CCO[P@@](=O)(OC[C@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1)C(N)=O 169347851 YYIWPMAUMHFKEN-MTROIWHKSA-N 359.275 0.624 0 1 FCAF OC[C@H]1O[C@]2(ON=C(c3ccc4ccccc4c3)S2)[C@H](O)[C@@H](O)[C@@H]1O 40422383 IQKNJVIEMDQQQX-GAGVYUBLSA-N 363.391 0.392 0 1 FCAF Cc1ccc(C)c(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 49018907 XCATZSWGRUFVLT-SCFUHWHPSA-N 371.397 0.798 0 1 FCAF COc1ccc(/C=C2\NC(=O)N(C[C@@H](O)CN3CCOCC3)C2=O)cc1 95594317 YUTJDUZXQJTKMI-FBKCMUNRSA-N 361.398 0.281 0 1 FCAF CN(C)CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 95797304 BIRWYFOVADHACS-PKOBYXMFSA-N 371.481 0.916 0 1 FCAF CC[C@@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)C(CO)=C[C@H]3OC(=O)[C@H]1[C@H]23 253683540 GULGAMRPPWWFSQ-IYKNTIBZSA-N 364.394 0.842 0 1 FCAF CNS(=O)(=O)NCc1nc2c(Br)cnc(Cl)c2[nH]1 586941537 AUGLJTWCZNEXRO-UHFFFAOYSA-N 354.617 0.928 0 1 FCAF O=C1[C@H]2C[C@@H](O)CN2C2(CN(CC3CC3)C2)C(=O)N1Cc1ccccc1 2356682375 KMDKOQWGRVYWAT-IAGOWNOFSA-N 355.438 0.455 0 1 FCAF NC(=O)c1cn(C[C@@H]2C[C@H]3CCN2C[C@@H]3C(=O)Nc2cccc(O)c2)nn1 2356831880 JSNIRPOHLGEHAD-ZLDLUXBVSA-N 370.413 0.432 0 1 FCAF CCO[P@]1(=O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@H]2O1 261171853 TXRXEHHGCBJORG-JZLLZHCTSA-N 357.263 0.227 0 3 FCAF CC/C=C/C[C@@H]1[C@H](CC(=O)O)CC[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 13411770 GJZJZRWFRZFTEE-RJSPZJBISA-N 374.430 0.029 0 1 FCAF in-man COC(=O)[C@@H]1C[C@H](O)[C@@H](O)[C@@H](n2cc(CC#N)c3c(OC)cccc32)O1 14852856 HTFYSSZLIDVAIP-SDNTUTLCSA-N 360.366 0.898 0 1 FCAF biogenic NS(=O)(=O)c1ccc(CONC(=O)c2cccc(C(=O)O)n2)cc1 26578336 RTGZVUVCMOWLGP-UHFFFAOYSA-N 351.340 0.289 0 1 FCAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC[C@@H](O)CO 29333222 NGDAQDUJJTXLSR-NSHDSACASA-N 359.854 0.726 0 1 FCAF Cc1cn(C[C@H](OCP(=O)(O)O)Oc2ccccc2)c(=O)[nH]c1=O 31905215 ZYJYFFZNDBWOLS-GFCCVEGCSA-N 356.271 0.402 0 1 FCAF CC[C@H](C)[C@@H](NC(=O)CN)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO 60038153 YIGMHPNVFMXYNW-DHSIGJKJSA-N 363.458 0.155 0 1 FCAF CC[C@@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)C(CO)=C[C@H]3OC(=O)[C@@H]1[C@@H]23 253683551 GULGAMRPPWWFSQ-ODJCDPHCSA-N 364.394 0.842 0 1 FCAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 586939385 NSPWHYRXSRQBST-VIFPVBQESA-N 373.402 0.312 0 1 FCAF Cc1cc(C(=O)NCC2(COc3cccnc3)C[C@H](O)[C@@H](O)C2)n(C)n1 2356298438 CNNVJYYFQXPKMS-HOTGVXAUSA-N 360.414 0.434 0 1 FCAF O=C(CC[C@@H]1CNC(=O)[C@H]2C[C@@H](NCc3ccc(F)cc3)CN12)NC1CC1 2356826304 HIMCTDNIYDGQLG-KZNAEPCWSA-N 374.460 0.915 0 1 FCAF O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NCc1ccc2c(c1)OCO2 4078423 GEBVUAMEWLBPIB-OGRXGRENSA-N 354.362 0.839 0 1 FCAF CC(C)[C@H](NCP(=O)(O)O)C(=O)N[C@@H](CCc1ccccc1)C(=O)O 26654271 SJZKJUPLQDZQPD-KBPBESRZSA-N 372.358 0.938 0 1 FCAF CN1CCN(S(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)CC1 36163093 CNWFRDCDMGNXTI-UHFFFAOYSA-N 362.411 0.616 0 1 FCAF S=C(S)NCCN(CCNC(=S)S)CCNC(=S)S 84596887 DWOLPFAUFKHFSS-UHFFFAOYSA-N 374.673 0.701 0 1 FCAF COC[C@@]1(C)O[C@](C)(n2cnc3c(Cl)nc(N)nc32)[C@](C)(O)[C@@]1(C)O 95535439 XKRFLXDKZNEDAS-BARDWOONSA-N 371.825 0.672 0 1 FCAF CC(=O)[C@@]12[C@@H]3[C@H]4[C@H]([C@H]5[C@H]1[C@H]3[C@@]5(Br)C41OCCO1)C21OCCO1 195234566 FCTNJUJIKYLXCW-XHWBGJCYSA-N 369.211 0.947 0 1 FCAF CCc1ccc2nc(C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2c1 587218862 ISRXIOJTLDGPJX-JQWIXIFHSA-N 362.386 0.429 0 1 FCAF CCCCCCNc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]1 26178149 YRFCNNWEMPTGEQ-UTUOFQBUSA-N 351.407 0.753 0 1 FCAF N[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccno2)C1 27643140 WGDMEGFZRHUBKB-QMMMGPOBSA-N 359.317 0.748 0 1 FCAF COC[C@H]1CCCN1[C@@H]1CS(=O)(=O)N[C@@H]1COCc1ccccc1 72137772 UUDZWOJZZZYUAT-BRWVUGGUSA-N 354.472 0.984 0 1 FCAF O=C1NC[C@@H]2CCC[C@H]1N2S(=O)(=O)c1ccc2[nH]c(=O)sc2c1 95605839 KLRIGFBREQEDML-GZMMTYOYSA-N 353.425 0.631 0 1 FCAF O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CC1 95675150 LATIXEUUNJKTQG-XHSDSOJGSA-N 352.431 0.130 0 1 FCAF Cc1c(F)ccc2nc(C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c12 587218326 GFWPKGVTLXFHOI-GXSJLCMTSA-N 366.349 0.314 0 1 FCAF N[C@H](Cc1nc2ccc(Cl)cc2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587220282 RJXGRTNNRMUVGB-PSASIEDQSA-N 368.777 0.520 0 1 FCAF COc1cc2c3c(c1)O[C@]1(C=C(CN4CCOCC4)OCC1=O)[C@@H](C2)C3=O 587445366 WBSZKAVSMZRFSK-MGPUTAFESA-N 371.389 0.997 0 1 FCAF CN(C)C[C@@H]1O[C@@H]2C[C@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]2[C@H]1O 2356308705 PDWDFEMUDYFVLB-YONAWACDSA-N 352.406 0.679 0 1 FCAF C[C@]12CC[C@]3(O)OC(=O)C=C3[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)[C@@H]3O 2356337168 RJURQSBIWVKVRJ-OPGICYSKSA-N 364.438 0.869 0 1 FCAF COCC1=C2C(=C[C@@]3(C)CC[C@@](O)(O3)[C@@](C)(O)C[C@H]2OC(C)=O)OC1=O 2356415559 OPAWQGXUUDQIPB-NKGKWGDASA-N 368.382 0.714 0 1 FCAF CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@]12C 2356558059 KRWCNBMWXYBJMM-QVDUIBETSA-N 355.431 0.634 0 1 FCAF C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2)CC1)C(=O)O 4089950 HBNDVLRWQFJVKS-HOCLYGCPSA-N 373.453 0.888 0 1 FCAF biogenic O=C(O)C[C@@H]1NC(=O)[C@H]2C[C@H](NC(=O)C3CCCCC3)CCN2C1=O 2356850911 QBTRKCHEQGDOPX-FRRDWIJNSA-N 351.403 0.016 0 1 FCAF CO[C@@H]1CCN(c2nc(CCc3nc4c(C)ncc(C)n4n3)n(C)n2)C1 210663335 NQMOEFVYLGWBOI-CYBMUJFWSA-N 356.434 0.880 0 1 FCAF CCCNc1nc(N)nc2c1ncn2C[C@@H](CF)OCP(=O)(O)O 71318484 FMLCEUSRKWMBON-MRVPVSSYSA-N 362.302 0.720 0 1 FCAF CC(C)(C)c1ccnc(N[C@@H]2CO[C@@H]3[C@@H](NS(C)(=O)=O)CO[C@H]23)n1 36368539 STQSXJJAIMOUGU-LYIQGSDWSA-N 356.448 0.270 0 1 FCAF biogenic C[C@H](N)C(=O)N[C@H]1CC[C@@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O 13581523 HRYYDNAJRUXAJE-UKMLZYKCSA-N 358.442 0.288 0 1 FCAF O=P(O)(O)C(O)(C[n+]1ccc(Cc2ccccc2)cc1)P(=O)(O)O 13643055 DLQWEQGGSDJQTD-UHFFFAOYSA-O 374.246 0.566 0 1 FCAF NC(=O)c1cccc2[nH]c(C(=O)N3CC[C@H](NC4CCNCC4)C3)nc12 1857628057 OZBWCCYLAWANAW-LBPRGKRZSA-N 356.430 0.218 0 1 FCAF CCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCCNC(=N)N 14651398 VJCITDLJAWDIFK-LSDHHAIUSA-N 361.446 0.071 0 1 FCAF biogenic OC[C@H]1O[C@H](n2cc(Br)c3c(S)ncnc32)[C@H](O)[C@@H]1O 49089337 JPAXVONCMNIIEJ-FCKMSMMTSA-N 362.205 0.094 0 1 FCAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CN(S(C)(=O)=O)C1 95663937 HEXPLJNODHPXAU-CQSZACIVSA-N 365.455 0.668 0 1 FCAF CN(C)CC(=O)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO 95903642 AWWMRDPCWOFXFI-IIAWOOMASA-N 351.451 0.132 0 1 FCAF O=C(c1ccccc1)N1C[C@H]2COCCN2C2(C1)CN(C(=O)C1CC1)C2 2356289720 YFUIBVGXQHYUBQ-KRWDZBQOSA-N 355.438 0.834 0 1 FCAF C[C@H](O)[C@H](C=C[C@@H]1O[C@@H]2C=CC(=O)O[C@H]2[C@@H]1O)OC(=O)c1ccccc1 2356429447 VCEHKGMNWZSLKE-JLWDMWFOSA-N 360.362 0.759 0 1 FCAF O=C(O)C[C@@H](C(=O)O)[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O 4095957 KYSQDMNDMYECNZ-OQPBUACISA-N 354.267 0.283 0 1 FCAF biogenic CC(C)=CCc1cc(C(=O)O)ccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14489225 ZTHSABILDCCHJR-VNIVASGNSA-N 368.382 0.072 0 1 FCAF endogenous,in-man CN(C)CCN1C(=O)c2cccc3c2c(cc2nnn(CCO)c23)C1=O 73199980 IZMMYUJCJGTURE-UHFFFAOYSA-N 353.382 0.734 0 1 FCAF CCCN1C(=O)COc2cc(F)c(-n3nnc4c(cnn4C)c3=O)cc21 98082563 LMQBKEAVLVALKY-UHFFFAOYSA-N 358.333 0.789 0 1 FCAF COc1cc(OC)nc(NC(=O)NS(=O)(=O)[C@@H]2CCCCCC2=O)n1 103206525 IHOIQHUJKAWZGW-SNVBAGLBSA-N 372.403 0.847 0 1 FCAF CC(=O)OC[C@H]1O[C@@H](O[C@H](C)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 238736728 NMWVITCXHMJFOY-MRFNCXEPSA-N 370.398 0.101 0 1 FCAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(O)nc(O)nc2[nH]1 586959993 UNLYJUDQTNHLGQ-ZDUSSCGKSA-N 351.344 0.233 0 1 FCAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3c(c(O)nc(=O)n3C)n1C)O2 587389246 GFCRHLJWIPVZNY-LLVKDONJSA-N 355.354 0.970 0 1 FCAF CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](CCCCN)C(=O)O)[C@@H](C)CC 2356765999 CSQNHSGHAPRGPQ-RMEBNNNOSA-N 372.510 0.589 0 1 FCAF CC(=O)OC[C@@H]1OC(c2nnc(C)o2)=C[C@H](OC(C)=O)[C@H]1OC(C)=O 5537706 GKEPIZUYPXLGHT-FPMFFAJLSA-N 354.315 0.544 0 1 FCAF CC(=O)O[C@@H]1[C@@H](F)[C@@H](CSC(C)=O)O[C@H]1n1cc(C)c(=O)[nH]c1=O 28647303 STJKXBFNUPWAOD-LSCVPOLPSA-N 360.363 0.292 0 1 FCAF OC[C@H]1O[C@@H](c2noc(-c3cccc4ccccc34)n2)[C@H](O)[C@@H](O)[C@@H]1O 35063752 SOBMCNOZWPGVPD-IBEHDNSVSA-N 358.350 0.405 0 1 FCAF COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)OC)O[C@@H](CO)[C@@H]1O2 95900060 UQOQCOXZGHGBJV-MCTKYDIJSA-N 365.382 0.829 0 1 FCAF CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H]3CC=C(C)[C@H]2C3(C)C)[C@H](O)[C@@H](O)[C@@H]1O 238772647 CHNWDUCYLHVSJP-XRKSTHIMSA-N 356.415 0.365 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cccc(Cl)c2[nH]1)C(=O)O 587218691 KKJTVSRGCBLWBB-SCZZXKLOSA-N 368.777 0.520 0 1 FCAF COCc1cn(C[C@@H]2C[C@H](NC(=O)Nc3ccccc3)[C@H](O)[C@H]2O)nn1 2356395291 OETWATMIGSJMCC-DDWPSWQVSA-N 361.402 0.357 0 1 FCAF C[C@@]12CC(=O)[C@@]3(O)[C@@](O)(CC[C@@H]4C(=O)c5c(O)cccc5[C@@H](O)[C@]43O1)C2 2356479693 ZXJRSMKDYMUFOX-BLHSXMMKSA-N 360.362 0.385 0 1 FCAF C[C@@H]1[C@@H]2[C@H](O)[C@H](O)C(C)(C)[C@@]23O[C@@]12CC[C@H]1[C@H](O)[C@@]2(C[C@H]3O)C[C@@]1(C)O 2356607450 VRUPRUIGNCVNKR-WXPBMKDGSA-N 368.470 0.185 0 1 FCAF NS(=O)(=O)c1cc2cc(C(=O)N(CCO)CCO)sc2s1 3779179 SVHSYJHKHWGMQK-UHFFFAOYSA-N 350.443 0.037 0 1 FCAF CS[C@]12CC3=CC=C[C@H](O)[C@H]3N1C(=O)[C@@]1(Cc3ccccc3O1)NC2=O 2356718299 QFWGYIKIPBTLBM-BMIPRAEKSA-N 370.430 0.965 0 1 FCAF O=C(Nc1cccc(F)c1)Nc1nnc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)s1 61903699 FDAGWLYXJITAFM-GWOFURMSSA-N 370.362 0.475 0 3 FCAF Cc1cc2ncc3c(=O)n(NS(=O)(=O)c4ccc(N)cc4)ccc3n2n1 1860504 WHUMCVMRUKVWCB-UHFFFAOYSA-N 370.394 0.867 0 1 FCAF CN1CCN(c2c3c(nc(N)n4nc(-c5ccco5)nc34)nn2C)CC1 13493994 ZJDDZFRXMHNEHD-UHFFFAOYSA-N 353.390 0.605 0 1 FCAF CCO[P@@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)C(=O)NC 27191733 PWGHBLAAPAKTIN-BTZQTZEISA-N 373.302 0.884 0 1 FCAF CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@@]1(O)C4=C(CC[C@]31C)C(=O)OC4)C2=O 89456063 SVWZPKRMGJFEFO-COQXYOOISA-N 374.389 0.426 0 1 FCAF biogenic,in-vitro CC=C1C[C@H](CO)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 2356531405 XVKRSUITGOSAJK-BSXFFOKHSA-N 351.399 0.165 0 1 FCAF CC(=O)O[C@@H](C)Cn1cnc2c(N)nc(I)nc21 33504531 WGSVXHOMHSQCIT-YFKPBYRVSA-N 361.143 0.965 0 1 FCAF C[C@@H]1CS[C@H]([C@H](NC(=O)[C@H](N)c2ccccc2)C(=O)O)N=C1C(=O)O 38987353 IEICSSILTYFRBD-QLXFMQRKSA-N 365.411 0.490 0 1 FCAF in-vitro CC(=O)O[C@]1(C)C[C@@H](O)C2=C(CO)C(=O)OC2=C[C@@]2(C)CC[C@@]1(O)O2 2356643630 ZGQYQZSMVWPWJB-GAEVZRCVSA-N 354.355 0.060 0 1 FCAF Cn1c(=O)c2c(nc([S@](=O)CCc3ccc(F)cc3)n2C)n(C)c1=O 95559380 XWQFLJCKGMEXTE-VWLOTQADSA-N 364.402 0.460 0 1 FCAF COC1=C[C@@H](O)[C@@H]2C(=O)O[C@@H](C)C[C@H]3CC(=O)[C@@H](O)[C@H](C/C=C/C2=C1)O3 473149730 KIBJDJJXGWIFNI-NIGUGYEDSA-N 364.394 0.803 0 1 FCAF O=c1c2ncn(CCC(CO)CO)c2[nH]c2nc(-c3ccc(O)cc3)cn12 1857546148 DGJWZPZJRVTQDJ-UHFFFAOYSA-N 369.381 0.736 0 1 FCAF Cc1cnc(CNC(=O)c2csc([C@@H]3C[C@H](O)[C@@H](CO)O3)n2)cn1 61897437 XVMKGTPWNXAOGK-RWMBFGLXSA-N 350.400 0.355 0 3 FCAF C=C[C@]12COC(=O)C(=C)[C@@H]1[C@@H]1OC(=O)C(=C)[C@H]1[C@H](OC(=O)C(=C)CO)C2 14828416 ZSXNBLOPYIJLQV-YHZMMZGRSA-N 360.362 0.850 0 1 FCAF biogenic c1cc2c(cc1-c1nnnn1[C@@H]1CO[C@@H]3[C@@H](NCC4CC4)CO[C@@H]31)OCO2 36365829 RNZLVOPVXOHRQL-NSNWQYSKSA-N 371.397 0.776 0 1 FCAF biogenic O=C(Cc1ccccc1)N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@H]1CO 95676255 IQQRIWPPTLHHIL-KURKYZTESA-N 374.437 0.279 0 1 FCAF NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1Cl 169315748 NNMRNYJQBMFMFI-UHFFFAOYSA-N 354.837 0.133 0 1 FCAF C[C@@H]1C(=O)[C@@]23[C@@H]([C@H](O)C[C@H]1[C@H]2O)[C@@]1(CO)[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3O 504243541 LIVDSGBMAPJLQG-OPUOVWLHSA-N 368.470 0.090 0 1 FCAF biogenic CCOCCN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@H]1n1nc(CC)cc1CC 618013420 YHPNXZSGXYOHGF-SQWLQELKSA-N 364.450 0.282 0 1 FCAF CC(=O)N1CCC(N[C@@H]2[C@H]3CO[C@@H](O3)[C@H](n3nc(C)cc3C)[C@@H]2O)CC1 2356307635 HYJQBKKNFUHFEH-ZKXLYKBJSA-N 364.446 0.126 0 1 FCAF CCO[C@@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](OC)[C@H]2O)[C@@H](C)O1 2356535953 LYTHASQZLYCEJZ-MYJRBFMYSA-N 350.408 0.040 0 1 FCAF CC(=O)CC[C@H]1[C@H](C)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356559661 HQWAINIJVJHGRG-PFNDUONCSA-N 374.474 0.613 0 1 FCAF CN1CCN(CC(=O)N/N=C2\C(=O)Nc3ccc4ccccc4c32)CC1 31847617 DMFGKVOGBCQAGF-UHFFFAOYSA-N 351.410 0.860 0 1 FCAF CN1C(=O)[C@@H]2[C@@H](N=C(N3CC[C@H](N)C3)N2Cc2ccccc2)N(C)C1=O 36350319 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CC1=C(CC[C@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)[C@H](O)CC1 2356569185 ROTRZDNJZBPLJO-NCLPFSIXSA-N 374.474 0.469 0 1 FCAF CO[C@H](C=C[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@@H](O)[C@H]1CC=CC(=O)O1 2356739006 STNNWPKHRBGYMO-CAOQVIHKSA-N 356.371 0.674 0 1 FCAF CC(C)NC(=O)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1N1CCc2ccccc2C1 2356814889 CMEGKMVJFYYVAW-XWTMOSNGSA-N 363.458 0.242 0 1 FCAF COc1cc(CCCN2C(=O)C(=O)NC[C@@H]2[C@@H](C)O)cc(OC)c1OC 13662217 ZFJABTVNEALSBK-DGCLKSJQSA-N 366.414 0.353 0 3 FCAF O=C(c1cnccn1)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 5434086 DTOICDJBLWFGRI-OAHLLOKOSA-N 351.366 0.765 0 1 FCAF biogenic CCCS(=O)(=O)N1CC[C@@H]2NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21 25422210 TUQHHBQLTKXBRJ-UONOGXRCSA-N 351.428 0.921 0 1 FCAF biogenic CCCCCC(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1c1nc(C(N)=O)cs1 40763400 XOUDRIYDOXYICY-OJAKKHQRSA-N 357.432 0.100 0 1 FCAF CC1(Nc2ncnc3c2ncn3[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CCCCC1 48998169 MMCKFEOYXCGJMU-VSBTWAGUSA-N 363.418 0.573 0 1 FCAF 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368.480 0.945 0 1 FCAF CC(=O)CCC1=C(C)CC[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1(C)C 2356459517 PCUDAQRRXUJHQH-CMURFVSUSA-N 372.458 0.677 0 1 FCAF O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@@H](NC(=O)c3ccccc3)CN21)NC1CC1 2356874745 YYSJKGFHDWCWNZ-ZACQAIPSSA-N 370.453 0.417 0 1 FCAF CC[C@@H](C)[C@H](N)c1cn([C@@H](CCC(=O)O)C(=O)N2CCNCC2)nn1 13478122 NPWJFBWILTYILH-ZLDLUXBVSA-N 352.439 0.162 0 3 FCAF O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccccn1 95676178 CJRAIIYLTSRGNA-YQQAZPJKSA-N 359.426 0.899 0 1 FCAF COc1ccc(CC(=O)NCCOC(=O)[C@@H](N)CCSC)cc1O 96299875 SFYIRPVANJCFSN-LBPRGKRZSA-N 356.444 0.683 0 1 FCAF COCCN1C[C@@H](O)CN(C(=O)c2cccc(C(F)(F)F)c2)CC1=O 105847235 FCHHWZVELWFSOG-CYBMUJFWSA-N 360.332 0.997 0 1 FCAF COC(=O)[C@@]12COC[C@@H](C[C@]3(C1)Oc1cc(OC)cc4c1C(=O)[C@H]3C4)N2 587437859 ARTISBLIGHYZAR-VMQKWGEKSA-N 359.378 0.875 0 1 FCAF C[C@H](Nc1ncnc2ccccc12)C(O)(P(=O)(O)O)P(=O)(O)O 1857654162 BAXNVWACUHHBIR-ZETCQYMHSA-N 363.203 0.432 0 1 FCAF COCC1=C2C(=C[C@@]3(C)CC[C@@](O)(O3)[C@](C)(O)C[C@@H]2OC(C)=O)OC1=O 2356415560 OPAWQGXUUDQIPB-OKDNKWQNSA-N 368.382 0.714 0 1 FCAF O=C(O)CCC(=O)N[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1nnnc1-c1ccccc1 2356855292 RBRQIMISOFIZLN-BHTHQVBYSA-N 373.369 0.028 0 1 FCAF Cc1c(O)n(-c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2c1=O 34090814 ZCNNQPCLXGIZPV-UHFFFAOYSA-N 353.338 0.050 0 1 FCAF CN(C)CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 95797399 BIRWYFOVADHACS-MJGOQNOKSA-N 371.481 0.916 0 1 FCAF CCO[P@](=O)(CC(N)=O)OC[C@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1 169371922 GPPXEGZLTTZXCY-MUBBBGELSA-N 373.302 0.030 0 1 FCAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@@H](NCC4CCCCC4)CO[C@@H]32)nn1 36366903 DLCYSNHUGZVSFX-ZJIFWQFVSA-N 350.419 0.942 0 1 FCAF biogenic CCn1c(-c2nonc2N)nc2cncc(C(=O)NC3CCNCC3)c21 40429704 LXUZPJDXRCSLIZ-UHFFFAOYSA-N 356.390 0.565 0 1 FCAF CN(C)CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1 95796619 VZXPMBJPLACQAX-AEFFLSMTSA-N 357.454 0.526 0 1 FCAF 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NC(=O)C(=O)N1CCN(CCNc2ccnc3cc(Cl)ccc23)CC1 45387806 UNIAVKHEJUHTLD-UHFFFAOYSA-N 361.833 0.930 0 1 FCAF CCCC[C@@H](C)Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49125346 PDKQCNBMCLLTTG-RYQNPAGMSA-N 351.407 0.428 0 1 FCAF O=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N[C@@H]2CCNC2)cc1 91725027 VMFORVNXPUGFKQ-KGLIPLIRSA-N 353.444 0.236 0 1 FCAF CCN(C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)COC)S(C)(=O)=O 95895885 JMXAVHBHXJKRLD-ZMSDIMECSA-N 370.471 0.270 0 1 FCAF C[C@@H](O)CN=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=NC[C@@H](C)O)[nH]1 1857774800 QYMUDBQWLSGBAS-RKDXNWHRSA-N 372.351 0.382 0 1 FCAF COc1ccc(C(=O)N[C@@H]2CCN3C(=O)[C@@H]4C[C@@H](OC)CN4C(=O)[C@@H]23)cc1 2356316844 TVSADXYPVAQASX-LVQVYYBASA-N 373.409 0.024 0 1 FCAF Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@H](NC3CCOCC3)[C@H]2O)cc1 2356552621 XPCYHCFUKWIOCZ-YESZJQIVSA-N 370.471 0.170 0 1 FCAF CC(=O)NC[C@H]1CN(c2ccc(C(C)=O)c(S(C)(=O)=O)c2)C(=O)O1 11524869 JQJGZNZSOWSZOZ-LBPRGKRZSA-N 354.384 0.754 0 1 FCAF Cn1c(=O)n(CC[C@@]2(O)C(=O)Nc3ccccc32)c(=O)c2ccccc21 14884786 FBBSGIRWWJHAEU-IBGZPJMESA-N 351.362 0.930 0 1 FCAF biogenic CCOC(=O)/C=C(/C(=O)OCC)n1cnc2c(O)nc(NC(C)=O)nc21 17261279 MJPJOOIHYRWIFH-TWGQIWQCSA-N 363.330 0.457 0 1 FCAF CCOc1c(N2CC[C@@H](N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 28884468 MBXPBQAHLCCZOV-SECBINFHSA-N 363.393 0.287 0 1 FCAF OC[C@H]1O[C@H](n2cnc3c(NC(C4CC4)C4CC4)ncnc32)[C@H](O)[C@@H]1O 49114539 RAVOWCMWQXNPDU-PRBJMDPQSA-N 361.402 0.038 0 1 FCAF CC(C)CNc1c2n(c(=O)n(CCN3CCOCC3)c1=O)[C@@H](C)CN2 82211727 VJIFSOYTKPQOID-ZDUSSCGKSA-N 351.451 0.397 0 1 FCAF C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)CC[C@@](C)(O)[C@@H]42)[C@@]13C 100778000 SHKTYUCWKCFSRV-GCJXWGQASA-N 368.470 0.391 0 1 FCAF endogenous,in-man CC(C)CN1CC2(C1)C(=O)N(Cc1cccnc1)C(=O)[C@H]1C[C@H](O)CN12 2356674147 XOFFUEUMBFSQGM-JKSUJKDBSA-N 358.442 0.096 0 1 FCAF N[C@H]1CN(C(=O)c2cnc3ccccc3n2)C(=O)[C@H]1C(=O)N1CCCC1 36310997 YHDXPJNBYWVGGO-XHDPSFHLSA-N 353.382 0.178 0 1 FCAF C=CS(=O)(=O)[C@H]1C[C@]2(C(=O)OC)CCC(=O)N2[C@H]1c1cccnc1 40956401 RVKGRYDBICHMFA-NOLJZWGESA-N 350.396 0.988 0 1 FCAF C[C@@H]1C(=O)c2cc(N)c(N3CCN(C)CC3)cc2N(C2CC2)S1(=O)=O 169323859 KXYKZODUZGBZJJ-LLVKDONJSA-N 364.471 0.904 0 1 FCAF CC(C)N1CCN(C(=O)O[C@@H]2CCN(c3ccc(C(N)=O)nc3)C2)CC1 223497935 CXSSICYZPPGXHR-OAHLLOKOSA-N 361.446 0.922 0 1 FCAF CC(=O)NC[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@H](O)[C@H](O)[C@@H]1O 253712534 VYDGPJBFVVSXTH-JQRFNNDESA-N 353.440 0.377 0 1 FCAF O=C(c1ccc(=O)[nH]n1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 299851048 VMQPBZFHLDGEGD-MRXNPFEDSA-N 370.400 0.858 0 1 FCAF Cn1nccc1CS(=O)(=O)Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1 586923724 SNDHPKWRXJBXFA-UHFFFAOYSA-N 369.428 0.059 0 1 FCAF Cc1c(C(=O)N2C[C@@H]3[C@H](C2)C3(F)F)cnn1-c1nc(=O)c2cccn2[nH]1 1857615125 ZDURPCYFTTUGTJ-PHIMTYICSA-N 360.324 0.854 0 1 FCAF O=C(C[C@@H]1CC=CCCCC(=O)OC[C@@H]2CCCN2C1=O)NCCO 1857743033 XEJFTJLUIZAUMF-GJZGRUSLSA-N 352.431 0.766 0 1 FCAF COc1ccc(C=CC(=O)O[C@@H]2[C@H](O)[C@H](C)O[C@H](O)[C@@H]2OC(C)=O)cc1 2356675148 IYUGFXZFXCANKO-NKEQUCRHSA-N 366.366 0.650 0 1 FCAF Cn1cccc1C(=O)N1CCN2C(=O)[C@@H](Cc3cccs3)NC(=O)[C@@H]2C1 25417660 JKGXFHILVXEBNT-HIFRSBDPSA-N 372.450 0.481 0 1 FCAF biogenic O=C1c2nc3cc(-c4ccco4)nn3c(O)c2CN1CCN1CCOCC1 29128140 KXSDZWYCDRVZFR-UHFFFAOYSA-N 369.381 0.983 0 1 FCAF Cc1ccccc1OCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO 95555000 ZGTSVWGYRCCCPP-UKBAYJJMSA-N 353.459 0.693 0 1 FCAF O=C(C[C@@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)N1CCc2ccccc2C1 95887647 MNYFKSZVIZZWBR-YDZRNGNQSA-N 360.454 0.858 0 1 FCAF CC1(C)[C@@H](O)[C@@H](O)[C@H]2[C@@](C)(O)[C@@H]3CC[C@@H]4C[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O 238746120 OOFHEBBJTIYYPO-ZMXVDWMCSA-N 370.486 0.168 0 1 FCAF NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cn1 299838687 QTRXSDAPWFBZQU-UHFFFAOYSA-N 356.385 0.239 0 1 FCAF O=[n+]1nc(NCCCN2CCOCC2)n(O)c2cc3c(cc21)CCCC3 377829941 CCTFOMNPTQGPPC-UHFFFAOYSA-N 360.438 1.201 0 1 FCAF COc1cccc(CCNc2nc(N)c(C(=O)NC(=N)N)nc2Cl)c1 653886969 RZVRXHXFRQSMGN-UHFFFAOYSA-N 363.809 0.999 0 1 FCAF CS[C@]1(CO)C(=O)N2c3c(O)cccc3C[C@@]2(SC)C(=O)N1C 13377824 BUSZSWVUELPPBM-HUUCEWRRSA-N 354.453 0.864 0 1 FCAF biogenic CCS(=O)(=O)N[C@H]1C=C[C@H](CC(=O)Nc2ccccc2)O[C@H]1CO 95869209 BYHQSFRKHWZRNO-ILXRZTDVSA-N 354.428 0.639 0 1 FCAF C[C@@H]1C(=O)CCC(C)(C)[C@@H]1C=C[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356528287 WISFQIFVVZVFRA-VUSSFTNLSA-N 372.458 0.389 0 1 FCAF Cn1c(=O)c2c(nc(SCC(=O)OCc3ccccc3)n2C)n(C)c1=O 4103499 VKMUWHZQRXMQAZ-UHFFFAOYSA-N 374.422 0.806 0 3 FCAF O=C(O)CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1 4270609 OHUANVDWHNPCHQ-CYBMUJFWSA-N 363.370 0.105 0 3 FCAF CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)CN3CCOC3=O)CC2)[C@H]1O 19635238 JSBGJCFINPOBJQ-MSOLQXFVSA-N 373.453 0.976 0 1 FCAF O=c1[nH]c2cc(C(F)(F)F)cc(CNCP(=O)(O)O)c2[nH]c1=O 26571250 MNJKSAYPTUHOPM-UHFFFAOYSA-N 353.193 0.460 0 1 FCAF CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)NC1CC1)O[C@H]2n1cnc2c(N)ncnc21 26942218 STCISRQZLXYKNP-USXUVBGUSA-N 360.374 0.105 0 1 FCAF CC(=O)NCCCN(CCCCN(CCCNC(C)=O)C(C)=O)C(C)=O 29566839 XHYNAQBZYJGMLF-UHFFFAOYSA-N 370.494 0.516 0 1 FCAF CC1(C)[C@H](O)C[C@H]2[C@](C)(O)[C@H]3CC[C@H]4[C@@H](O)[C@@]3(C[C@H](O)[C@@]21O)C[C@@]4(C)O 253680293 BWMFRQKICHXLSH-UNISXCQYSA-N 370.486 0.168 0 1 FCAF Cn1cc(Nc2ncc(Cl)c(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4N)n2)cn1 1772614764 NWZXENUIIADGBK-KKOKHZNYSA-N 351.798 0.513 0 1 FCAF O=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(OC3CC3)cc2)C1=O 1857538562 UHQOPIPVJSDOQM-UHFFFAOYSA-N 360.366 0.973 0 1 FCAF O=C(NC[C@@H]1OC[C@H](NC2CCC(F)(F)CC2)[C@@H]1O)N1CCOCC1 2356321960 JFXHQOUYBPUBNM-IHRRRGAJSA-N 363.405 0.324 0 1 FCAF COc1cc(C=CC(=O)O[C@H]2[C@@H](O)C[C@@]3(O)C[C@H]2OC3=O)ccc1O 2356440741 OIGFDFULTVHQNZ-MAQMMGONSA-N 350.323 0.137 0 1 FCAF NC(=O)CO[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2n1nnnc1Sc1ccccc1 2356834800 KEVWBCMQMKBBEU-RFHZTLPTSA-N 363.399 0.034 0 1 FCAF Nc1nc2c(ncn2Cc2cccc(CCCP(=O)(O)O)c2)c(=O)[nH]1 13833696 ZHCSJYGAAKMBOG-UHFFFAOYSA-N 363.314 0.860 0 1 FCAF CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1C(=O)N2CCO[C@H]12 13860548 OEGLOMHKABJFTM-JJRVBVJISA-N 361.398 0.621 0 1 FCAF CCc1ccc(Cc2csc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1 58608984 HIZZWXMURAPENC-NQNKBUKLSA-N 365.451 0.811 0 1 FCAF NCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@H](c1ccccc1)CN2 82210276 FYKPSECVPYMHRY-ZDUSSCGKSA-N 355.398 0.332 0 1 FCAF COc1ccccc1CNC(=O)C[C@H]1CC[C@H](NC(C)=O)[C@@H](CO)O1 95906643 AEKMALSEBJWOQY-HLLBOEOZSA-N 350.415 0.746 0 1 FCAF O=C1N/C(=C\c2ccc(Cl)cc2)C(=O)N1C[C@@H](O)CN1CCNCC1 473090741 XIJPEEYGRMIZCL-BUYRESAOSA-N 364.833 0.499 0 1 FCAF Cc1cnn([C@@H]2[C@H]3OC[C@@H](O3)[C@H](NC(=O)NCc3ccccc3)[C@@H]2O)c1 2356297536 VWMMMKDRDOXVPK-XAJHFOFHSA-N 358.398 0.717 0 1 FCAF N=C(N)NCCCCCC(=O)N[C@H]1CCN(C(=O)Cc2ccccc2)C1 13580421 ZRHMJVBXGUAZIC-INIZCTEOSA-N 359.474 0.990 0 1 FCAF CC1(Nc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CCCCC1 29393668 MMCKFEOYXCGJMU-GXCBOPRBSA-N 363.418 0.573 0 1 FCAF O=C(O)[C@@H]1O[C@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O 36272646 GEASOSNSHDZQIK-YFCNSXCBSA-N 363.374 0.275 0 1 FCAF COCCn1c(=O)c(NC(C)=O)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205514 IIIIGHDGJUGAPW-AWEZNQCLSA-N 358.398 0.652 0 1 FCAF CC(=O)O[C@H]1C=C[C@H](OC(C)=O)[C@](O)(COC(=O)c2ccccc2)[C@@H]1O 85881096 MMESXCQWMJEGBH-LISAXSMJSA-N 364.350 0.369 0 1 FCAF NC(=O)c1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)Nc2ccccc2)nn1 2356857349 SHKSLLSWHNCPSU-VHDGCEQUSA-N 354.414 0.726 0 1 FCAF CNS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3ccc4[nH]ncc4c32)cc1 14945779 QDKYQDQBFZUQHE-UHFFFAOYSA-N 370.394 0.909 0 1 FCAF NCCNCCCCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O 26717472 QINMKCLADNXCED-UHFFFAOYSA-N 355.442 0.844 0 1 FCAF NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N[C@@H]1CNCCNC1=O 40394579 ZMVAZBRCVNFJIC-GFCCVEGCSA-N 373.438 0.724 0 1 FCAF Nc1ncnc2c1ncn2[C@@H]1C(I)=C[C@@H](O)[C@H]1O 66074561 OICDOYVPFQSRQR-LPBLVHEISA-N 359.127 0.004 0 1 FCAF OC[C@@H]1O[C@@H](n2cnc3c(/C=C(\O)c4ccccc4)ncnc32)[C@@H](O)[C@@H]1O 102807372 MHMCIRXDRBTNOZ-XSPBZPBVSA-N 370.365 0.494 0 1 FCAF Nc1ncnn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc(-c3ccccc3F)c12 1911576960 LFNCYIYKKCJABI-MIGQKNRLSA-N 360.345 0.272 0 1 FCAF C[C@@H]1COc2c(N3CC[C@@H](N)C3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23 13649665 XJDCVXNXLXSSQA-HTQZYQBOSA-N 362.361 0.912 0 1 FCAF CO[C@@H]1[C@@H](O)[C@@H](CO)O[C@@H]1n1cnc2c(NC3CCCCC3)ncnc21 13831213 JAKAFSGZUXCHLF-WFTWPBCJSA-N 363.418 0.837 0 1 FCAF COCc1cn([C@@H]2CO[C@@H]3[C@@H](NC(=O)COc4ccccc4)CO[C@H]32)nn1 25424955 RQMCZMQSTJYFGK-IDCNUPLLSA-N 374.397 0.327 0 1 FCAF biogenic CCN1CCC[C@@H]1CNC(=O)c1cc(N(C)S(N)(=O)=O)ccc1OC 40640222 GQEDRSCSJWFRQH-CYBMUJFWSA-N 370.475 0.549 0 1 FCAF CCOC(=O)CCc1nc2nc(N3CC[C@@H](NC(C)=O)C3)ccc2[nH]c1=O 82231776 FPLBAUBSCNODFD-GFCCVEGCSA-N 373.413 0.529 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc(F)cc2[nH]1)C(=O)O 587218226 FWPGHZJFSNJVJJ-WPRPVWTQSA-N 352.322 0.006 0 1 FCAF CC(C)[C@@]1(c2nc(N)nc(N)n2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963025385 JYBNFPYPKVMRCB-MLCYQJTMSA-N 353.430 0.989 0 1 FCAF CC(=O)N1CCC(N[C@@H]2[C@H]3CO[C@@H](O3)[C@H](n3cc(Cl)cn3)[C@H]2O)CC1 2356297259 QUWOWKVUSOKKIB-SUJAAXHWSA-N 370.837 0.163 0 1 FCAF O=C1CC[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@H]2[C@H](O)[C@H](O)C3=O 2356720321 WUCMTTYUUQBEMP-MDNKFWRPSA-N 368.341 0.944 0 1 FCAF CC(C)(C)[C@]1(O)NC(=O)[C@@H](CCC(N)=O)n2c1nc1ccccc1c2=O 2356784869 QLECHXLRCYDOPS-XIKOKIGWSA-N 358.398 0.524 0 1 FCAF COC(=O)[C@H](CC(C)C)NC(=O)Cn1cnc2c(SC)nc(N)nc21 61947335 KSLVWMZNUSXHKE-VIFPVBQESA-N 366.447 0.834 0 3 FCAF COC[C@@H]1CCN(C(=O)Cn2nnnc2CN2CCc3ccccc3C2)C1 20166445 OYAFLXWZJZNRPH-OAHLLOKOSA-N 370.457 0.726 0 1 FCAF O=C(NCC(=O)N1CCNCC1)c1coc(-c2ccc3c(c2)OCO3)n1 82084854 DYNUJKGPAZYUNM-UHFFFAOYSA-N 358.354 0.232 0 1 FCAF CCCCCCC[C@H](N)[C@@H](O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C 211555545 PRSVXGXZMKUSJJ-ZQDZILKHSA-N 373.494 0.765 0 1 FCAF Cc1cc2nc(C[C@@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2cc1C 587220548 NKFADFIOHBQMAU-MNOVXSKESA-N 362.386 0.484 0 1 FCAF O=C1Cc2c3c(n(-c4c[nH]cc(Br)c4=O)c2O1)OC(=O)C3 587941815 RLNPCTICZNVART-UHFFFAOYSA-N 351.112 0.851 0 1 FCAF Cc1sc(N)nc1[C@]1(C)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963217429 QDMKIVXLLYCVAE-PSVSLLHZSA-N 372.454 0.778 0 1 FCAF NC(=O)c1cccc2[nH]c(C(=O)N[C@H]3CCCN(C4CCNCC4)C3)nc12 1772618524 JWWXOTFGEKOSHE-LBPRGKRZSA-N 370.457 0.608 0 1 FCAF CCCC=CC=CC1=C(CO)[C@@H]2O[C@H](C(C)(C)O)C[C@]2(O)[C@H](O)[C@@H]1O 2356347119 JNZPJFJLCQONRT-ATIFRJIPSA-N 354.443 0.583 0 1 FCAF CC(=O)O[C@@]1(C)C[C@@H](O)C2=C(CO)C(=O)OC2=C[C@@]2(C)CC[C@@]1(O)O2 2356643631 ZGQYQZSMVWPWJB-KLWIRTJPSA-N 354.355 0.060 0 1 FCAF CC[C@@H](C)[C@H](NC(=O)c1ccccc1N)C(=O)N[C@H]1CCC(=O)NC1=O 45374927 SFNLQFSZDHFXBC-DGFSRKRXSA-N 360.414 0.335 0 1 FCAF CC(=O)O[C@@H]1O[C@@H](C(F)F)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 88367750 GDIZITBKFZOIOJ-ILOGHGLZSA-N 368.285 0.335 0 1 FCAF CC(C)C[C@@H](CO)NC(=O)[C@@H]1O[C@@H]2CN(Cc3ccccc3)C(=O)[C@H]1O2 95562352 YLFMGINTBAGZCH-NXOAAHMSSA-N 362.426 0.662 0 1 FCAF CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CNC(=O)CN(C)C 95895041 NVPQDCKCIXYJGR-NUJGCVRESA-N 362.474 0.611 0 1 FCAF CCOP(=O)(C[C@@H]1C[C@H](N2C=N[C@@H]3C(N)=NC=N[C@@H]32)ON1C)OCC 169362889 KKDGZVAZUCAFOM-FMCLSXCISA-N 372.366 0.652 0 1 FCAF O=C(c1ccncc1)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 299851009 SQSWRMMGTVGDQI-KFWWJZLASA-N 355.385 0.749 0 1 FCAF C[C@@H]1NC(=O)[C@@H](C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)N[C@@H]1C 618013160 KIIGYCXNGKHHKN-KEYYUXOJSA-N 362.449 0.725 0 1 FCAF CCCCN1C(=O)[C@H]2C[C@H](O)CN2C2(CN(Cc3cccs3)C2)C1=O 2356380531 JFKWKDWHLKMEJK-DZGCQCFKSA-N 363.483 0.907 0 1 FCAF CCOC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F 71340560 UCHZSEWTMHMOTL-IAQYHMDHSA-N 373.375 0.727 0 1 FCAF O=C(CC1=N[C@@H]2CCCC[C@@H]2NC1=O)NN1C(=O)c2ccccc2C1=O 103272616 FCYFZSMVWMVLKJ-OLZOCXBDSA-N 354.366 0.586 0 1 FCAF CS(=O)(=O)/C=C\c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 586925717 IFFRKYAMUVXCJU-WTKPLQERSA-N 371.440 0.599 0 1 FCAF CCS(=O)(=O)NCCCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586944799 ZTRNWNRGKZKQTP-UHFFFAOYSA-N 374.488 0.685 0 1 FCAF CCCOc1cc2c(cc1OCC)[C@@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H]1NC2=O 1857545939 KNLABWYBDWXEDW-IIAXDYGNSA-N 351.399 0.556 0 1 FCAF COC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(OC)c2)[C@@H](CO)O1 199225806 LHNRPUNCRYARHY-NWANDNLSSA-N 373.427 0.445 0 3 FCAF COC(=O)[C@@H](O)CS[C@H]1CC(=O)O[C@@H](C)CCCCC[C@@H](O)C1=O 14636818 VZIWNOAEUWFTFJ-RNJOBUHISA-N 362.444 0.838 0 1 FCAF NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)cc1 27640872 AVLGSWUULUDTLJ-AWEZNQCLSA-N 366.370 0.899 0 1 FCAF CCO[C@@H](C1=C[C@H]2C(C)=NN(c3ccccc3)[C@H]2N=C1)[C@H](O)[C@@H](O)CO 40876671 GFNJIPHRIRTWSI-QXCZDIPSSA-N 359.426 0.955 0 1 FCAF COc1cc(/C=C/C(=O)O[C@@H]2C[C@](C)(C(=O)O)C[C@H](O)[C@H]2O)ccc1O 59586367 IEMKPSWSRBUZGD-ZJVSCTPHSA-N 366.366 0.932 0 1 FCAF biogenic,in-vitro CCOC(=O)CCc1nc2nc(N3CC[C@H](NC(C)=O)C3)ccc2[nH]c1=O 82231775 FPLBAUBSCNODFD-LBPRGKRZSA-N 373.413 0.529 0 1 FCAF C[C@H]1CC(=O)CC(C)(C)[C@@H]1/C=C/[C@@H](C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 85878797 NLPBBNGDXNHAJP-QHEHGLIWSA-N 372.458 0.389 0 1 FCAF in-man COCCNC(=O)C[C@H]1C=C[C@H](NC(=O)NC2CCCC2)[C@H](CO)O1 95675444 PYHXZAPBOUOXMO-ILXRZTDVSA-N 355.435 0.065 0 1 FCAF 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354.414 0.549 0 1 FCAF COc1c(C)c2c(c(O[C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@H]3O)c1C)C(=O)OC2 2356732080 WGZSHFSRJXYDQK-UIRUTROCSA-N 354.355 0.189 0 1 FCAF Cc1cccc(OCC2(CNC(=O)c3cc(C)nn3C)C[C@@H](O)[C@H](O)C2)n1 2356778134 NHPDVKVITKNENL-HZPDHXFCSA-N 374.441 0.743 0 1 FCAF COc1cc2nc3cc(C(=O)Nc4nnn[nH]4)nn3c(O)c2cc1OC 27852460 UCIFFUUFGACGRV-UHFFFAOYSA-N 356.302 0.371 0 1 FCAF CS[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](NC(=O)c2ccc3ccccc3c2)[C@@H]1O 28117164 HYWXGAWINOSGGV-QXUSFIETSA-N 363.435 0.740 0 1 FCAF N[C@@H](CC[P@](=O)(O)[C@@H](O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 141313044 XLEQAIBMMUFWAP-GZMMTYOYSA-N 363.219 0.566 0 1 FCAF Cc1c(Cl)cc(S(=O)(=O)O)cc1NC(=O)NC[C@@H](N)C(=O)O 149286678 LHEYGVSDVBEYQF-MRVPVSSYSA-N 351.768 0.429 0 1 FCAF N[C@H](Cc1nc2cccc(F)c2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587223597 WXSPEGTUMZIRHC-SCZZXKLOSA-N 352.322 0.006 0 1 FCAF CN(c1nc(Nc2cnn(C)c2)ncc1Cl)[C@@H]1CO[C@@H]2[C@H](O)CO[C@@H]21 1772600592 LKCAFNLYMQVQAH-FDYHWXHSSA-N 366.809 0.570 0 1 FCAF 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COC(=O)[C@H](Cc1ccccc1)N1C[C@H](N2CCCC2)CS1(=O)=O 96021298 AAQYFQBUJMSNPR-HOTGVXAUSA-N 352.456 0.881 0 3 FCAF NCC[C@@H](NC(=O)c1ccc(-c2cccc(N)c2)o1)C(=O)N1CCNCC1 28397767 WEPQTDPKMVYVAO-OAHLLOKOSA-N 371.441 0.408 0 1 FCAF CC(C)=CCNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49807754 AZELFNACVPNYND-IDTAVKCVSA-N 369.809 0.469 0 1 FCAF O=C1C[C@@]2(CCc3ccccc3C2)C(=O)N1CN1CCN(CCO)CC1 64413851 PVCZVCXBRFGZEI-FQEVSTJZSA-N 357.454 0.488 0 1 FCAF Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(CCCCCC2CC2)c1=O 96902734 AHZSEKFRDZGLGN-ARFHVFGLSA-N 352.431 0.930 0 1 FCAF C[C@H]1CC(=O)CC(C)(C)[C@@H]1/C=C/[C@@H](C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 100783910 NLPBBNGDXNHAJP-LGJZEEINSA-N 372.458 0.389 0 1 FCAF endogenous,in-man CCN1C(=O)N[C@H]2[C@@H]3NC(=O)c4ccc(Br)n4[C@@H]3C[C@]21O 103301509 FNSLSSWZBUUKED-PZWLIILKSA-N 355.192 0.410 0 1 FCAF CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@]3(C)[C@@H]1[C@]2(C)[C@H](O)C[C@H]3O 238781671 FDDCDQFMIBYXLK-WIPSHPDRSA-N 364.394 0.741 0 1 FCAF Cc1nccn1[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](NCc2ccc3c(c2)OCO3)[C@H]1O 2356294254 AUNLAUDDOREMEW-SFFUCWETSA-N 359.382 0.736 0 1 FCAF CC(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2 2356391717 AWSYWECAWRXZDP-ISWURRPUSA-N 354.355 0.060 0 1 FCAF CC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 206065205 OWAQSFCXNIOQOH-YDHLFZDLSA-N 353.216 0.967 0 3 FCAF CCCCOC(=O)CN(C)CC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]2S1 27630059 JFWVDFVZZWBANR-LYSGOOTNSA-N 372.443 0.470 0 1 FCAF CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3OC[C@H]2[C@@]1(O)[C@@H]3O 2356692062 HVRXIIBZQVCBAF-BPFBMMQYSA-N 358.394 0.576 0 1 FCAF OC[C@H]1O[C@@H](Oc2ccc(C3(C(F)(F)F)N=N3)cc2)[C@H](O)[C@@H](O)[C@@H]1O 49802657 LCXCQRHELIUUNS-RMPHRYRLSA-N 364.276 0.046 0 1 FCAF CCNC(=O)CCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587231596 YTZRMWARYMMBHI-UHFFFAOYSA-N 366.443 0.653 0 1 FCAF CCS(=O)(=O)c1ccc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2c1 586932998 VLMJZPJSOMYOIC-UHFFFAOYSA-N 354.413 0.999 0 1 FCAF N=C(N)NCCC[C@H](NC(=O)c1ccccc1Br)C(=O)O 13488287 XRHGTHZZQOJNNN-JTQLQIEISA-N 357.208 0.895 0 1 FCAF C[C@@H](Oc1ccccc1)C(=O)N[C@H](Cn1cncn1)CP(=O)(O)O 26172991 BBHUTOXJVLSIDF-VXGBXAGGSA-N 354.303 0.408 0 1 FCAF Cn1c(N2CCN(CCCOc3ccccc3)CC2)cc(=O)n(C)c1=O 26992084 FAHVFGXNJJIXTH-UHFFFAOYSA-N 358.442 0.675 0 1 FCAF CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 39796217 SUPVSFFZWVOEOI-CQDKDKBSSA-N 365.430 0.382 0 1 FCAF biogenic NCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205483 ZYSPMYPFQOCUJE-AWEZNQCLSA-N 369.425 0.354 0 1 FCAF COc1cccc(CNC(=O)C[C@H]2CC[C@@H](NC(C)=O)[C@H](CO)O2)c1 95677353 QHWKOKDSIMAAGX-ZACQAIPSSA-N 350.415 0.746 0 1 FCAF O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CC2)O1)NCC1CC1 95884809 SQIZVCZSVBGYDX-XDNAFOTISA-N 352.475 0.922 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cccc(F)c2[nH]1)C(=O)O 587222286 SIWDYNSRLVIGIG-WPRPVWTQSA-N 352.322 0.006 0 1 FCAF CCCOc1cc2c(cc1OCC)[C@@H]1C[C@H](O)[C@H](O)[C@@H](O)[C@H]1NC2=O 1857545938 KNLABWYBDWXEDW-CWKGXVCISA-N 351.399 0.556 0 1 FCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3CCCCC3)[C@@H](O)[C@@H]2O1 2356292813 AJINBYNQJFUZDA-KCEFYPGHSA-N 356.463 0.347 0 1 FCAF C[C@H]1C[C@H](O)CC(C)(C)[C@@H]1C=C[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356484576 ZORDFDALTAWLGH-SJTGDXTHSA-N 374.474 0.181 0 1 FCAF Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@H](NC3CCOCC3)[C@@H]2O)cc1 2356552620 XPCYHCFUKWIOCZ-ULQDDVLXSA-N 370.471 0.170 0 1 FCAF CCCS(=O)(=O)NC[C@@H]1O[C@@H](Cc2cc(COC)on2)CC[C@@H]1O 2356606550 UIMVBXIFYPWLDV-SNPRPXQTSA-N 362.448 0.601 0 1 FCAF CCc1nc(SCC(=O)N2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 4138868 VPIFUUXSDVIBTK-UHFFFAOYSA-N 363.443 0.304 0 3 FCAF CC(C)C[C@H](NC(=O)[C@H]1CNC[C@H]1Cc1ccccc1)C(=O)NCC(N)=O 26723105 LKIKVUCBEUCKNC-IKGGRYGDSA-N 374.485 0.197 0 1 FCAF CC1(C)O[C@@H]2[C@@H](C(=O)NC3CC3)O[C@@H](n3cnc4c(N)ncnc43)[C@H]2O1 26942237 STCISRQZLXYKNP-DZHLUBAWSA-N 360.374 0.105 0 1 FCAF CC(=O)Nc1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@@H](C)CN3)cc1 82211109 OQHDFTCRZNTXJH-NSHDSACASA-N 372.429 0.526 0 1 FCAF COCC(=O)N1CC2(CN[C@@H](CO)c3c2c2ccc(OC)cc2n3C)C1 95795922 CTQQCQCLEOAMEL-AWEZNQCLSA-N 359.426 0.550 0 1 FCAF Cc1cccnc1CNC[C@@H]1O[C@@H]2C[C@H](CC(=O)NC(C)C)O[C@@H]2[C@@H]1O 2356290212 LZDIFKYGNNQXOF-HSAPRAMBSA-N 363.458 0.680 0 1 FCAF CCCC(=O)OC[C@]1(C)[C@@H]2[C@H](O)C[C@H](C)[C@@]23C[C@@H](OC(=O)[C@H]3O)[C@@]1(C)O 2356353481 PKBNLHNIXGEMHV-KEHCBGSFSA-N 370.442 0.780 0 1 FCAF O=C(O)[C@H]1O[C@@H](Oc2ccc3c(c2)Cc2ccccc2-3)[C@@H](O)[C@H](O)[C@H]1O 2356655179 ZLFOGQYAGDVXGP-QLCXLMDBSA-N 358.346 0.529 0 1 FCAF CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)NC[C@@H](C)O)cc1 61921814 HUELFEMXBGKMOK-SNVBAGLBSA-N 360.370 0.949 0 3 FCAF CO[C@]12C[C@@H](CNC(=O)c3cc(Br)c[nH]3)O[C@H]1NC(=O)N2 6483328 WRJYHSZMHSXLMX-HNBZJPLGSA-N 359.180 0.278 0 1 FCAF biogenic Nn1c(=O)cc2n(C3CC3)c3cc(N4CCNCC4)c(F)cc3n2c1=O 13650482 RGUSZMUUNJILHH-UHFFFAOYSA-N 358.377 0.013 0 1 FCAF CC1(C)O[C@H]([C@]23O[C@H]4COC(C)(C)O[C@H]4[C@H]2OC(C)(C)O3)[C@@H](CO)O1 31900810 AEXMLOVBBGJYHK-RNLQGSQCSA-N 360.403 0.897 0 1 FCAF Nc1nc(N2CCCCC2)c2ncn([C@@H]3C[C@H](O)[C@H](CO)S3)c2n1 40510529 VJEYMYWPZPTKNZ-DCAQKATOSA-N 350.448 0.756 0 1 FCAF CCOc1c(C(=O)OC)cc(NC(=N)N)c(NC(C)=O)c1NC(=N)N 40955093 CPPJFXMTDLFRAP-UHFFFAOYSA-N 351.367 0.441 0 1 FCAF COC(=O)[C@H](CC(C)C)N1C[C@@H]2O[C@@H](C(=O)N3CCCCC3)[C@@H](O2)C1=O 95559041 MNTZQPYJSPFTGX-GBJTYRQASA-N 368.430 0.539 0 1 FCAF COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CC(=O)O)O[C@@H]2CO)cc1 95906554 JTWZAMNSSOCUJO-FPMFFAJLSA-N 359.400 0.357 0 1 FCAF CC(C)=CCNc1nc(=S)[nH]c2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 96095084 NFFGZYBJEWUKBQ-IDTAVKCVSA-N 367.431 0.478 0 1 FCAF in-vitro C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@H]23 238755516 YEXVXKIMPBHRQR-GVPQIDMFSA-N 353.415 0.244 0 1 FCAF CC(=O)O[C@H]1[C@H](OC(C)=O)C=C[C@@H](O)[C@@]1(O)COC(=O)c1ccccc1 238769890 MAIHNXWUKKJTIY-CBZIJGRNSA-N 364.350 0.369 0 1 FCAF C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@]2(O)C[C@@H](O)[C@@H](C)[C@@H]42)[C@]13C 257438145 HQUSKUTUDDZKOD-JXKIHRFESA-N 368.470 0.247 0 1 FCAF endogenous,in-man N[C@@H](Cc1nc2ccc(Cl)cc2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587220285 RJXGRTNNRMUVGB-WCBMZHEXSA-N 368.777 0.520 0 1 FCAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2c(O)ncnc2[nH]1 587227360 LKZPAOMPBXVRPQ-UHFFFAOYSA-N 356.342 0.601 0 1 FCAF COC(=O)/C=C/c1oc(=O)c(COC(C)=O)c(OC)c1COC(C)=O 1772623629 LDDZGIYQBVWZTL-AATRIKPKSA-N 354.311 0.961 0 1 FCAF CC(=O)OCC1=C2C(=C[C@@]3(C)CC[C@@](O)(O3)[C@@](C)(O)C[C@H]2O)OC1=O 2356389471 VXLRPFBAXXIUFB-KLWIRTJPSA-N 354.355 0.060 0 1 FCAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1C(=O)C1CCCC1 95864510 KIDZNMZVNQCUCV-UTJXIGIESA-N 360.410 0.702 0 1 FCAF O=C(Cc1ccccn1)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO 95906345 ZBZATYGIRVPWKB-BZSNNMDCSA-N 373.453 0.827 0 1 FCAF Nc1nc(NCCc2ccccc2)nc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](O)[C@@H]1O 169366589 OZCCPYHYSIPRDM-QHSBEEBCSA-N 370.413 0.091 0 1 FCAF O=C1[C@H]2[C@H](C(=O)N1c1ccc(S(=O)(=O)N3CCCC3)cc1)[C@H]1C=C[C@H]2O1 299811205 OZACSBBVZJZQEF-KLHDSHLOSA-N 374.418 0.914 0 1 FCAF CC1=C(c2ccc3[nH]c(-c4cc(S(N)(=O)=O)c[nH]4)nc3c2)NNC(=O)C1 586933188 ZFHPBBODEAINTJ-UHFFFAOYSA-N 372.410 0.961 0 1 FCAF C[C@@H](N=c1nc(O)c2cnn(C3CCCC3)c2[nH]1)C(=O)N1CCOCC1 1857596577 GESQMVSOZXARLD-LLVKDONJSA-N 360.418 0.728 0 1 FCAF Nc1ncnc2c1c1cc(Cl)ccc1n2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 1857770189 GBCITHSYNBWTKS-ADGXKJENSA-N 350.762 0.432 0 1 FCAF O=C(N[C@@H]1CCN2C(=O)[C@@H]3[C@H](OCC4CC4)CCN3C(=O)[C@@H]12)C1CCC1 2356317790 SPDPRZYXOLSLKZ-FPCVCCKLSA-N 361.442 0.282 0 1 FCAF CCC=CC[C@H]1[C@H](CC(=O)O)CC[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356754484 GJZJZRWFRZFTEE-TVXOIMRASA-N 374.430 0.029 0 1 FCAF O=C(NCCN1CCCC1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 11839510 ZZUPTTBKWAQRPM-KRWDZBQOSA-N 366.506 0.159 0 3 FCAF CCN(CC)CCC[C@@H](C)N[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O 13493064 YZWKLDYUYPKAIO-VJUNAUMWSA-N 354.495 0.702 0 1 FCAF NC(=O)C1CCN(CC[C@H]2CN(C(=O)C3CC3)CC[C@H]2CC(=O)O)CC1 20463132 QWYOTEHEOFSYSK-HOTGVXAUSA-N 365.474 0.923 0 1 FCAF biogenic O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CC1 95675155 LATIXEUUNJKTQG-BZUAXINKSA-N 352.431 0.130 0 1 FCAF CC1=C(c2ccc3nc(CCS(=O)(=O)N(C)C)[nH]c3c2)NNC(=O)C1 586931797 KJHYBBMOCUKRMR-UHFFFAOYSA-N 363.443 0.752 0 1 FCAF O=C1NC(Nc2cc(Cl)cc(Cl)c2)=N[C@@H]2[C@@H]1N=CN2COCCO 29488585 WETBFVKWNHDVAK-RYUDHWBXSA-N 372.212 0.896 0 1 FCAF CC(C)C[C@@H](CO)NC(=O)[C@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2 45338173 YLFMGINTBAGZCH-VVLHAWIVSA-N 362.426 0.662 0 1 FCAF CCOc1ccc(-c2c(O)ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2=O)cc1 95562669 PBMKIVRPXVGNMH-GFOCRRMGSA-N 363.366 0.231 0 1 FCAF C[C@@H]1CCCC[C@H]1NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO 95605622 IQSMQTRKLQJGGS-WVXCVLBUSA-N 358.523 0.474 0 1 FCAF O=C(C[C@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NC1Cc2ccccc2C1 95887224 VINMFOKKSKWMTO-MKXGPGLRSA-N 360.454 0.557 0 1 FCAF COC1(OC)C(Br)=CC(O)(C(N)=O)C=C1Br 103626149 MCQNFBINQHXTAH-UHFFFAOYSA-N 356.998 0.763 0 1 FCAF CCN(C(=O)N1C[C@H](N)[C@H](C(=O)O)[C@@H]1CNC(=O)C(F)(F)F)C(C)C 169322286 GMJVHVPBWHAYQO-GUBZILKMSA-N 368.356 0.228 0 1 FCAF C/C=C1\C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@@](C)(O)[C@H](C)[C@@H]1O)[C@H]23 238758164 FAFYHPIEFKLDSP-UEHCONOHSA-N 353.415 0.244 0 1 FCAF Cc1nccn1C[C@@]1(C)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963217812 IDMOJTQDKDZWQL-DEYYWGMASA-N 354.414 0.588 0 1 FCAF OC[C@H]1O[C@H](Oc2cc(O)cc(C=Cc3ccccc3)c2)[C@@H](O)[C@H](O)[C@H]1O 2356504905 JTFNQPOMLDMAEW-RMMWZPCPSA-N 374.389 0.741 0 1 FCAF Cc1ccc(CN2C(=O)[C@@H]3C[C@H](O)CN3C3(CN(C4CCC4)C3)C2=O)o1 2356611517 ZDWJBKQTZWMDPX-HOCLYGCPSA-N 359.426 0.499 0 1 FCAF O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)S2)cc1C(F)=C(Cl)Cl 6524051 MHRRXVDFIDEAGA-RRKCRQDMSA-N 357.190 0.967 0 1 FCAF CS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 95666932 QEUXWSXMYUYUTO-HOTGVXAUSA-N 364.467 0.787 0 1 FCAF COC(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2F)[C@H](CO)O1 95677668 OBZPPVVKYJWSJI-DRZSPHRISA-N 361.391 0.576 0 1 FCAF O=C(NC1CCCC1)N[C@@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO 95903486 HXDRGRNUAHHKIF-XHSDSOJGSA-N 369.462 0.386 0 1 FCAF Cn1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2ccccc2)n1 100297530 VVPOTXIOUPHXSR-OLZOCXBDSA-N 351.322 0.959 0 1 FCAF N[C@H]1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO 166686293 ZBZIWWLWLNIYPJ-YNEHKIRRSA-N 354.370 0.686 0 1 FCAF Cc1nc(-c2cnn3c2CN(C[C@H]2CCC[C@@H]2O)CC3)c2c(=O)nc[nH]n12 1772627877 OTGWXKUTFIPMEB-DOMZBBRYSA-N 369.429 0.566 0 1 FCAF O=C1CC=C2[C@@H]3N1c1ccccc1[C@]31CCNCC(=CCO)[C@@]2(O)CC1=O 2356702736 RFEPACVRPIBBGS-ACRUOGEOSA-N 366.417 0.586 0 1 FCAF OC[C@H]1O[C@@H](n2cnc3c(NC4CCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O 13804184 JVHSBTAABOVDGN-QYVSTXNMSA-N 355.782 0.056 0 1 FCAF COCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@@H](C(C)C)N2 82206693 WKBRWJIUVSBMPJ-NSHDSACASA-N 362.386 0.952 0 1 FCAF COC[C@@H]1CC[C@@H](COC)N1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2 96271847 KZJOHAIKJPMFAP-QWRGUYRKSA-N 368.411 0.636 0 1 FCAF COC(=O)[C@H]1C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(O)c1 169690055 PRRXRCDACPQFHX-STQMWFEESA-N 357.366 0.817 0 1 FCAF C[C@@]1(CO)[C@H]2CCC3=C[C@H]4C[C@]3([C@@H](O)C[C@@]4(O)CO)[C@]2(C)CC[C@H]1O 2356720684 GQYCEVDLCYZRSU-FHSCCLLOSA-N 352.471 0.977 0 1 FCAF COCCNC(=O)c1nc2n(Cc3cc(C)ccc3C)[nH]nc-2c(=O)n1 104210990 FXXFGRSSXQYVLI-UHFFFAOYSA-N 356.386 0.508 0 3 FCAF CC(C)(C)OC(=O)N[C@@H](CS(=O)(=O)NC(=O)c1ccccc1)C(N)=O 40875137 YQGSACZLEAOUCX-NSHDSACASA-N 371.415 0.125 0 1 FCAF CN(C)[C@@H]1CCN([C@@H]2CS(=O)(=O)N[C@@H]2COCc2ccccc2)C1 72137860 YLTSVTUNIZTHCA-BRWVUGGUSA-N 353.488 0.509 0 1 FCAF Nc1nc(Cl)c(-c2ccccn2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 84633841 OOBYOYSTSREMSC-QNKRVWAESA-N 351.794 0.289 0 1 FCAF O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3COCCF)cc2C1=O 95604471 JIGINUVOBXKAOL-JTQLQIEISA-N 356.375 0.961 0 1 FCAF OC[C@@H](O)[C@H](O)c1nc2c(Br)cnc(Br)c2[nH]1 586888463 KJLPPGPMZYGUIK-FBCQKBJTSA-N 366.997 0.870 0 1 FCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3CCCCC3)[C@H](O)[C@H]2O1 2356292811 AJINBYNQJFUZDA-HITLURFISA-N 356.463 0.347 0 1 FCAF CCc1c(OC)cc2c(c1O)C(=O)C[C@]1(OC)OC(=O)[C@H](O)C[C@]21O 2356588384 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367.409 0.969 0 1 FCAF CN(C)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl 1857586285 JGEFKJGJRUELJY-UHFFFAOYSA-N 374.806 0.081 0 1 FCAF COc1ccc(-n2cc(-c3cnc(C(=O)NCC(=O)O)c(O)c3)nn2)cc1 1857751136 IZGFDMOHMJCHBK-UHFFFAOYSA-N 369.337 0.858 0 1 FCAF CC(C)C[C@H](N)C(=O)N[C@@H](C(=O)N[C@H](CCCCN)C(=O)O)C(C)C 2356872190 YQFZRHYZLARWDY-BFHYXJOUSA-N 358.483 0.199 0 1 FCAF COc1cccc(N2C(=O)[C@H]3CN(C(=O)c4cnccn4)CCN3C2=O)c1 8295572 WJXIXNUGQVYTNK-OAHLLOKOSA-N 367.365 0.778 0 1 FCAF biogenic O=C(NCCCC(O)(P(=O)(O)O)P(=O)(O)O)c1ccccc1 28466173 UNDXNFGMVIKDIH-UHFFFAOYSA-N 353.204 0.198 0 1 FCAF CC1(C)O[C@H]2[C@@H](CO[C@]3([C@@H]4OC(C)(C)O[C@@H]4CO)OC(C)(C)O[C@H]23)O1 73242941 TYRFSVLXABMDCR-OLGYYULASA-N 360.403 0.897 0 1 FCAF OC[C@H]1O[C@H](Oc2ccc(-c3cccc(F)c3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 84561189 BOMNBJCDHMOMJI-ZBRFXRBCSA-N 350.342 0.671 0 1 FCAF C[C@@H]1C[C@H]2OC(=O)[C@@H](CN(C)C)[C@H]2[C@H](O)[C@]2(C)C(=O)C[C@@H](N(C)C)[C@@H]12 169322688 YQNPPNZPJWYAIQ-QUNBXJSXSA-N 352.475 0.632 0 1 FCAF CNC(=O)C1=C(C)CS[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N12 1857555923 SBEZJTBLRMKASU-CXAGYDPISA-N 361.423 0.485 0 1 FCAF Cc1cccc(OCC2(CNC(=O)c3cnccn3)C[C@H](O)[C@@H](O)C2)n1 2356321536 XRKZXMINGSKAPK-GJZGRUSLSA-N 358.398 0.491 0 1 FCAF O[C@@H]1[C@@H](CF)O[C@@H](n2cnc3c(NC4CCOCC4)ncnc32)[C@@H]1O 3991691 LESLGDYUXNSVSS-SDBHATRESA-N 353.354 0.006 0 1 FCAF CC(C)C[C@@H](N)[C@H](O)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C(C)C 13353380 AJCHMYCBPJPVPA-RFGFWPKPSA-N 359.467 0.087 0 1 FCAF CCO[P@](=O)(OC[C@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)C(=O)NC 27191727 PWGHBLAAPAKTIN-PQIHIXOVSA-N 373.302 0.884 0 1 FCAF O=C(O)Cc1cs/c(=N/C(=O)CS(=O)(=O)c2ccccc2)n1O 40412944 PBXAZWLCMYEYEJ-BUHFOSPRSA-N 356.381 0.315 0 1 FCAF C[C@@H](O)[C@H](N)C1=N/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1CC(=O)O 263620970 RIVKALVUSNBRTC-QHUHAOFSSA-N 353.762 0.420 0 1 FCAF in-vitro C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)CO)N1 587829774 RDYGSNMRYVVLSB-JMIUSVDPSA-N 364.211 0.239 0 1 FCAF COc1ccc(S(=O)(=O)N2CCOC[C@@H](Oc3cnccn3)C2)cc1 2356287396 IFRNCBNOASAYOU-AWEZNQCLSA-N 365.411 0.954 0 1 FCAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCc1ccc2c(c1)OCO2 4078427 GEBVUAMEWLBPIB-LZDSYCOUSA-N 354.362 0.839 0 1 FCAF COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H](n2cc(CC#N)c3c(OC)cccc32)O1 5141366 HTFYSSZLIDVAIP-CSFVBSKPSA-N 360.366 0.898 0 1 FCAF biogenic CCOC(=O)c1ccccc1OC[C@H](O)CNCCNC(=O)C(C)C 40465830 BMRJGXNVPXDHFP-CQSZACIVSA-N 352.431 0.965 0 1 FCAF CNC[C@@H]1Oc2ccc(NS(C)(=O)=O)cc2CC(=O)N(C)C[C@H]1C 95661655 KDIKRPBRIQIWMR-ABAIWWIYSA-N 355.460 0.676 0 1 FCAF Nc1c(NS(=O)(=O)c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 95920862 VEUJHCYBBDYKBP-UHFFFAOYSA-N 372.406 0.968 0 1 FCAF in-vitro CO[C@]12CC[C@@H](NCC(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@H]2C5 100578782 YHKUQEWICWSOTO-VPTUFLRFSA-N 374.437 0.873 0 1 FCAF COC(=O)c1cccc(NC(=O)Cc2nc(=O)cc(N3CCOCC3)[nH]2)c1 144839488 UJJLMGVFHFWZJS-UHFFFAOYSA-N 372.381 0.574 0 1 FCAF Cc1c(F)ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 587223067 VJALCEGBTHHVCA-GXSJLCMTSA-N 366.349 0.835 0 1 FCAF CC(C)NC(=O)N1CCC2(CC1)[C@@H]1CN(C(=O)N(C)C)C[C@@H]1C(=O)N2C 96262286 GSZJJWQXBLJQCK-UONOGXRCSA-N 365.478 0.641 0 1 FCAF CCN1CCC(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)CC1 45369335 YNYBKXDJIMUFAQ-UHFFFAOYSA-N 355.446 0.971 0 1 FCAF COCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)CCN2 82204433 MHWZPEZGDCDAPU-UHFFFAOYSA-N 373.413 0.652 0 1 FCAF CCC(=O)N[C@H]1C=C[C@H](CC(=O)NCc2ccccc2OC)O[C@H]1CO 95906032 TYONUPOIPWMRQR-VYDXJSESSA-N 362.426 0.912 0 1 FCAF COc1ccccc1CNC(=O)C[C@@H]1CC[C@@H](NC(C)=O)[C@@H](CO)O1 95906649 AEKMALSEBJWOQY-ZMSDIMECSA-N 350.415 0.746 0 1 FCAF CC1=NC(=S)N[C@H](c2cccc(O)c2)[C@H]1C(=O)OCCOCCO 169720102 DUEOROBVBNZKOT-UONOGXRCSA-N 352.412 0.951 0 1 FCAF C/C=C(/C)C(=O)OC[C@@H]1O[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@H](O)[C@@H]1O 238747546 KPNARKFYPKZCHK-QCDXWETGSA-N 374.386 0.073 0 1 FCAF O=C(O)/C=C(\C(=O)O)[C@]12CCN3CC4=CCO[C@@H]5CC(=O)N[C@H]1[C@@H]5[C@H]4C[C@H]32 299879668 LBAWZETUMGOMOM-DANIIAECSA-N 374.393 0.006 0 1 FCAF CC[C@H](C)[C@@H](NC(=O)CN)C(=O)N[C@H](CCc1ccccc1)C(=O)CO 299887120 YIGMHPNVFMXYNW-JCKWVBRZSA-N 363.458 0.155 0 1 FCAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587203585 LWOGCYUVAZVBAG-GFCCVEGCSA-N 367.431 0.289 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(Cl)ccnc2[nH]1 587222811 ZZHCGIJQXYXZJX-YUMQZZPRSA-N 369.765 0.435 0 1 FCAF Nc1nc(O)c2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2n1 587227273 KGFBCFSJZKKWNM-UHFFFAOYSA-N 371.357 0.183 0 1 FCAF Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CSCC(F)(F)F)[C@@H](O)[C@@H]1O 5594764 OADDFVPHOXLNAW-IZCITBFLSA-N 365.337 0.323 0 1 FCAF CC(C)CCOc1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1 29052345 UJDLUMCNDPKJME-QKPAOTATSA-N 370.471 0.837 0 1 FCAF COc1cc2c(cc1OCC(=O)OCCO[N+](=O)[O-])C(=O)[C@H](C)OC2 95558505 CSGBHTCGMYJOCB-VIFPVBQESA-N 355.299 0.927 0 1 FCAF CCOC(=O)C1CCN(C(=O)Cc2ccc3c(O)nc(O)nc3n2)CC1 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358.483 0.061 0 1 FCAF O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1c2ccccc2C[C@H]1CO 115071082 BWXQCHRNPDYQQT-AWEZNQCLSA-N 370.409 0.099 0 1 FCAF C[C@]1(CC(=O)Oc2ccccc2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O 169320478 YUSAKRYBEWWALK-ZLDLUXBVSA-N 353.352 0.181 0 1 FCAF COc1ccccc1S(=O)(=O)NC(=O)c1nc2nc(C)cc(C)n2n1 169342507 PZUZZUIYNDBKMR-UHFFFAOYSA-N 361.383 0.868 0 1 FCAF Cc1ccc(C)c2[nH]c(C[C@@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)nc12 587224430 ZNXKQCYDUAQSNC-GHMZBOCLSA-N 362.386 0.484 0 1 FCAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)CO)N1 587830716 UJWHGAUUAGNGBG-BTZGWNARSA-N 364.211 0.239 0 1 FCAF Cn1cc(CN[C@@H]2[C@H](c3ccc(N4CCOCC4)nc3)C[C@H](O)[C@H]2O)cn1 2356466129 UKENDCQARCDIPV-RNIPGJKVSA-N 373.457 0.019 0 1 FCAF COc1ccc2c(c1O)[C@]13CCN(C)[C@@]14C[C@H]2O[C@]4(OC)[C@@H](O)[C@H](O)C3 2356598689 XSFZFSOPRBJQAU-ZSLMQZGZSA-N 363.410 0.656 0 1 FCAF CC=C1CN2[C@H]3C[C@@]45c6ccccc6N[C@@H]4[C@@]2(O)C[C@H]1[C@]3(C(=O)OC)[C@H]5O 2356647710 UKEZNSARWDASSV-PXHONOBZSA-N 368.433 0.995 0 1 FCAF 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Cc1c(Sc2cccc(C(=O)O)c2)n(COCCO)c(=O)[nH]c1=O 6520152 TTZDFDVLDMJITC-UHFFFAOYSA-N 352.368 0.661 0 1 FCAF O=C1N[C@@H](Cc2cccs2)C(=O)N2CCN(C(=O)c3ccco3)C[C@@H]12 25412139 JPBHWXBFGYKEFE-STQMWFEESA-N 359.407 0.735 0 1 FCAF biogenic CNS(=O)(=O)c1cc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)n(C)c1 586947528 QUPUPZDNKHWPMV-UHFFFAOYSA-N 368.440 0.880 0 1 FCAF N[C@H](Cc1nc2cc(F)cc(F)c2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587220842 OCXUXHVADLMXQV-RKDXNWHRSA-N 370.312 0.145 0 1 FCAF C[C@@]1(CO)[C@H]2CC=C3[C@@H](O)[C@H]4C[C@]3(CC[C@@]4(O)CO)[C@]2(C)CC[C@H]1O 2356323681 DPQUBEJAXNNYGA-RZZDIOASSA-N 352.471 0.977 0 1 FCAF COc1cc(O)c2c(c1)[C@@]13O[C@@]4(C)C[C@@](O)(C(=O)C[C@]1(C)O4)[C@H]3OC2=O 2356326286 WLKHTSIFYKYELK-ICUGJSFKSA-N 362.334 0.764 0 1 FCAF CNC(=O)[C@H](CC(C)C)N1CCC[C@@H]1C(=O)N1CCN(C(C)=O)CC1 2356345212 MSKSVTDIUZHUIY-CVEARBPZSA-N 352.479 0.302 0 1 FCAF CNC(=O)[C@@H](c1ccccc1OC)N1CCC[C@@H]1C(=O)N1CCOCC1 2356387760 GXRGCFSVAJQEPL-NVXWUHKLSA-N 361.442 0.806 0 1 FCAF COC(=O)C1=CO[C@H](OC(C)=O)[C@@H]2C(COC(C)=O)=C[C@@H](OC(C)=O)[C@H]12 2356454996 CNYKDWSMWFETDQ-PNBKFKSVSA-N 368.338 0.630 0 1 FCAF CO[C@@H]1OC(=O)[C@]2(C)[C@H](OC(C)=O)[C@]34CC(=O)O[C@]3(C)CC[C@]4(O)[C@]12C 2356823713 GNYSLQWVMYNWSW-XFCWKACOSA-N 368.382 0.691 0 1 FCAF COCC(=O)N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(C4CCCC4)n3)CO[C@@H]12 25432747 ULSGVMQTSCFLFT-YQFWSFKMSA-N 362.430 0.844 0 1 FCAF biogenic C[C@H](CCc1ccccc1)NCCC(O)(P(=O)(O)O)P(=O)(O)O 27197099 IJTUQKRLPXHURD-LLVKDONJSA-N 367.275 0.989 0 1 FCAF CCCCN(CC)c1ncnc2c1cnn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49055096 YKWDYCQQGOSEOH-JXFSHQFZSA-N 351.407 0.064 0 1 FCAF CC(C)N(C[C@@H]1N[C@H](CO)[C@@H]1c1ccccc1)C(=O)CN1CCOCC1 95668344 TXADMCPTZYKUFW-NLWGTHIKSA-N 361.486 0.672 0 1 FCAF O=C(O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccccc1 95881226 PQUNPQFCUNBFRK-GUDXXQAFSA-N 354.362 0.737 0 1 FCAF CO[C@@H]([C@@H]1c2ccsc2CCN1Cc1cccn1C)[C@H](O)[C@H](O)CO 962378707 ZHALBBYOKXXSTR-SPUZQDLCSA-N 366.483 0.915 0 1 FCAF O[C@H]1[C@H](n2cc(Cl)cn2)[C@H]2OC[C@@H](O2)[C@@H]1NCc1ccncc1F 2356722011 WAHXZVPDHXJRQB-FQKPHLNHSA-N 354.769 0.886 0 1 FCAF NC(=O)c1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)Nc2nccs2)nn1 2356871115 XXPXUNIBTXNFER-OUAUKWLOSA-N 361.431 0.183 0 1 FCAF CC(=O)O[C@H]1C=C[C@H](O)[C@@](O)(COC(=O)c2ccccc2)[C@@H]1OC(C)=O 14489505 MAIHNXWUKKJTIY-CUSZFKRNSA-N 364.350 0.369 0 1 FCAF biogenic,in-vitro CN1CCN(c2cc3c(c(N)c2N)c(=O)c(C(=O)O)cn3C2CC2)CC1 29405664 AMDTZLGOAZIHSM-UHFFFAOYSA-N 357.414 0.951 0 1 FCAF O=C1C=CC(=O)[C@]23O[C@]12C(=O)[C@H]1O[C@H]1C31Oc2cccc3cccc(c23)O1 34095573 KUMQRWQJCVMYRM-YSHGAJCASA-N 362.293 0.873 0 1 FCAF biogenic CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cnccn1 95794819 RHAVUTYZJCRYQJ-IAGOWNOFSA-N 352.394 0.678 0 1 FCAF CCC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2ccc(OC)cc2)O[C@H]1CO 95908169 XXVQYUMJVNBNLA-BBWFWOEESA-N 362.426 0.912 0 1 FCAF CCn1c(O)c([C@H]2NCCc3c2[nH]c2ccc(OC)cc32)c(=O)[nH]c1=O 136091780 QBWIGSRKQPBPQP-OAHLLOKOSA-N 356.382 0.987 0 1 FCAF N[C@H](CC[P@](=O)(O)[C@@H](O)c1ccc(SCC(=O)O)cc1)C(=O)O 149074928 IMWRUEZSFIGPIN-ZWNOBZJWSA-N 363.328 0.927 0 1 FCAF CCCCC[C@H](O)[C@H](CCO)n1cnc(C[C@H](NC(C)=O)C(=O)O)c1 535385300 CMZGBPQGJLBJTA-JYJNAYRXSA-N 355.435 0.880 0 1 FCAF in-vitro CN[C@@H](C)C(=O)N[C@@H](CCN)C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 1857649582 OGPPCKXNYBRMMQ-VBNZEHGJSA-N 372.473 0.668 0 1 FCAF CNC(=O)[C@H](c1ccccc1F)N1CCC[C@H]1C(=O)NCCN(C)C 2356307038 WJWCFWKQRMKVRO-HOTGVXAUSA-N 350.438 0.755 0 1 FCAF CNC(=O)[C@@H](c1ccccc1OC)N1CCC[C@@H]1C(=O)NCCN(C)C 2356740963 YSCHBPATGWGKCS-NVXWUHKLSA-N 362.474 0.625 0 1 FCAF OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccccc3)c2)[C@@H](O)[C@H](O)[C@@H]1O 36374620 JTFNQPOMLDMAEW-PCUJPQOJSA-N 374.389 0.741 0 1 FCAF Oc1nc(O)c(I)c(-c2nc3cnnc(O)c3[nH]2)n1 587181776 CPCVPEBVCASTLN-UHFFFAOYSA-N 372.082 0.531 0 1 FCAF COCCNC(=O)c1ccc(CN2CC(=O)N3CCCC[C@@H]3C2=O)cc1 6877512 XIEOMDXRLQEIRJ-MRXNPFEDSA-N 359.426 0.786 0 1 FCAF C[C@]1(O)C[C@]2(C)CC(=O)O[C@@H]3CCN4CC=C(COC(=O)[C@@]1(C)O2)[C@@H]34 14612707 GWTBIOYPNDRFRJ-SHAWWILOSA-N 351.399 0.548 0 1 FCAF biogenic CCc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)o1 64553830 BUWYEOQHRGNZST-UJWQCDCRSA-N 364.394 0.612 0 1 FCAF CC(=O)O[C@H]1[C@@H]2OC(=O)C(C)=C2[C@@H]2OC(=O)[C@]3(CC[C@H]4O[C@]14C)O[C@H]23 169301745 BTFYCCJHXMPDKJ-FJTGOTLVSA-N 350.323 0.174 0 1 FCAF COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@@H]1[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]12 195398693 PZQQPXJMBSEPSV-RJSFJBSNSA-N 364.350 0.554 0 1 FCAF Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2C[C@H](O)C2)cn1 1772574521 SWDUQYWERSBLLW-JOCQHMNTSA-N 369.429 0.238 0 1 FCAF NC(=O)N1CCCc2cc(-c3cncc(CN4CCNC(=O)C4)c3)cnc21 1772649619 HXFBTFVLXUEURS-UHFFFAOYSA-N 366.425 0.907 0 1 FCAF CC(=O)OC[C@H]1O[C@@H](O[C@H](C)CCc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O 2356572766 NMWVITCXHMJFOY-JISQNWMHSA-N 370.398 0.101 0 1 FCAF Cc1ccc(CN2C(=O)[C@H]3C[C@H](O)CN3C3(CN(C4CCC4)C3)C2=O)o1 2356611516 ZDWJBKQTZWMDPX-GOEBONIOSA-N 359.426 0.499 0 1 FCAF CC(C)C(=O)O[C@@H]1C[C@](C)(O)[C@]2(O)C=C[C@](C)(O)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@H]12 2356654250 XZSXZVXLFVLPCM-MLHXFEACSA-N 368.426 0.555 0 1 FCAF COc1ccccc1C(=O)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1 61928244 NKNXNODBOWTHQX-MVWJERBFSA-N 351.384 0.982 0 3 FCAF COc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(C)c2=O)cc1 4238440 MPJRGSVAKUSIRQ-UHFFFAOYSA-N 352.398 0.809 0 1 FCAF O=C(OC[C@H]1O[C@H](n2ccc(=S)[nH]c2=O)[C@@H](O)[C@H]1O)c1ccccc1 14766450 MJGHUGNFPLCSGE-SAXRGWBVSA-N 364.379 0.382 0 1 FCAF CNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O 34873085 FKASFJRIJJXSSO-KGLIPLIRSA-N 368.434 0.477 0 1 FCAF CCOC(=O)[P@@](=O)(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)CS1 40447565 KPSFSKZFNZNTMH-DTWKUNHWSA-N 365.304 0.772 0 1 FCAF Cn1ncc(N2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)cc1=O 95516969 LLOIYNOFZPNJPC-UHFFFAOYSA-N 362.455 0.506 0 1 FCAF CC1(C)CC[C@H](O)[C@@]2(CO)[C@@H]3CC[C@H]4[C@@H](CO)C(=O)[C@]3([C@H](O)C[C@H]12)[C@@H]4O 95911466 HYXNSCPSOANLKF-DIYFCMDQSA-N 368.470 0.092 0 1 FCAF biogenic,in-vitro O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1OCCCc1ccccc1 105519992 PKAUUFQQSOSZIW-BMFZPTHFSA-N 362.382 0.189 0 1 FCAF CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](C)(O)[C@H](C)O)[C@H]12 238780858 KRUNVKVFXZKRDQ-VYOUMLOHSA-N 353.415 0.554 0 1 FCAF O=S(=O)(NC[C@@H]1OC[C@H](NCc2cccnc2)[C@H]1O)c1ccccc1 2356430146 HPYDFXNEYAGDMH-YESZJQIVSA-N 363.439 0.278 0 1 FCAF O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1ccc(Br)o1 13604670 SDIRBUIWZUCLRP-JVUFJMBOSA-N 373.159 0.200 0 1 FCAF COCCCN(c1cc(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O 28954117 WNWRXBNCDMTPAX-UHFFFAOYSA-N 361.807 0.672 0 1 FCAF CC(=O)N[C@@H]1CCN(C(=O)c2cnc(COc3ccccc3)[nH]c2=O)C1 91635837 QGCRMAKMTLSKJR-CYBMUJFWSA-N 356.382 0.700 0 1 FCAF CCNC(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1 95907609 XGMRPRNXRMHJTE-VHDGCEQUSA-N 374.434 0.539 0 1 FCAF CNC(=O)[C@H]1CCS(=O)(=O)[C@@H]2CN(Cc3ccc(OC)cc3)C[C@H]12 96250913 CAKVJLAEFCYQEX-ARFHVFGLSA-N 352.456 0.676 0 1 FCAF N[C@@H](Cc1nc2ccc(F)c(F)c2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587218828 IPKUNEBTFXODTG-CBAPKCEASA-N 370.312 0.145 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cccc(F)c2[nH]1 587219219 JWDVLSGGLKGEOR-SCZZXKLOSA-N 352.322 0.526 0 1 FCAF O=C(N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cnc3ccccc32)[C@@H]1O)N1CCOCC1 2356431969 MEFBIZFKLJGQPH-UUAJXVIYSA-N 374.397 0.104 0 1 FCAF Cc1ccccc1CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 4475297 OOEMZCZWZXHBKW-AZAGILFBSA-N 371.397 0.358 0 1 FCAF O=C(Cn1ncc(N2CCCCC2)cc1=O)Nc1nnc2ccccn12 20778150 OMXJKYITFJBORQ-UHFFFAOYSA-N 353.386 0.915 0 1 FCAF O=c1[nH]cnc2c1ncn2C[C@H]1COC[C@@H]1CC(F)(F)P(=O)(O)O 26673144 FXZULIFCFHYXFH-YUMQZZPRSA-N 364.245 0.543 0 1 FCAF C[C@@H](Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 34228516 ZWLZHFQBXQMCTK-ADYHOYRESA-N 371.397 0.611 0 1 FCAF CC(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1 38962691 OKXFATZWVGIXEE-SBQXOHPDSA-N 352.339 0.347 0 1 FCAF biogenic,in-vitro CCNC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 95906549 SRPGMYIGJWTTHA-KBMXLJTQSA-N 368.455 0.484 0 1 FCAF O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c12 137078186 FKFCNJHQZVZBPY-UHFFFAOYSA-N 365.301 0.106 0 1 FCAF C[C@H]1Cc2c(O)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1 147004345 RZSZPVBJGJPQOH-LBPRGKRZSA-N 370.409 0.832 0 1 FCAF CC(C)CNc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205017955 LTEYFGTVFNYTHH-WZUFQYTHSA-N 356.390 0.947 0 1 FCAF COC(=O)[C@H](O)CS[C@@H]1CC(=O)O[C@H](C)CCCCC[C@H](O)C1=O 253668131 VZIWNOAEUWFTFJ-YVECIDJPSA-N 362.444 0.838 0 1 FCAF Cc1ccc(S(=O)(=O)NCCN2C(=O)N[C@@]3(CC3(C)C)C2=O)cc1 299860704 GZOZXBXQFGXPAL-INIZCTEOSA-N 351.428 0.994 0 1 FCAF N[C@H](Cc1nc2ccc(F)cc2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587218726 IDMGQZNJPZSKMX-PSASIEDQSA-N 352.322 0.006 0 1 FCAF COCCNC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccno2)CN(C)C(=O)C1 2356436924 ACUZWZXCNOUEPA-QWHCGFSZSA-N 366.418 0.184 0 1 FCAF COC(=O)C(C)=C1C(=O)O[C@@]2(C)[C@H]([C@H]1OC(C)=O)[C@@](C)(CO)[C@H]1C[C@H]12 2356505073 QGQJAIFVPDCYEV-JEUDWIJISA-N 352.383 0.988 0 1 FCAF O=C1C[C@H](CCCO)C[C@@H]2[C@@H]3CCCN4CCC[C@H]([C@H]34)[C@@H](C(O)O)N12 2356637247 MJPMVDBGPHPOQH-UJARPBSLSA-N 352.475 0.550 0 1 FCAF CNC(=O)[C@H](c1ccccc1OC)N1CCC[C@H]1C(=O)N1CC[C@@H](O)C1 2356759728 RTPJVNUAKWUMDO-KMFMINBZSA-N 361.442 0.540 0 1 FCAF Cc1c(C(=O)c2cnn(C)c2O)ccc(S(C)(=O)=O)c1C1=CCON1 79161639 DGHMDHACFRYSSI-UHFFFAOYSA-N 363.395 0.944 0 1 FCAF CCO[P@](=O)(O)CC(=O)OCCOCn1cnc2c(N)ncnc21 84652419 DBBWPDXJHBIRJH-UHFFFAOYSA-N 359.279 0.148 0 1 FCAF COc1cccc(CNC(=O)C[C@H]2CC[C@H](NC(C)=O)[C@@H](CO)O2)c1 95677352 QHWKOKDSIMAAGX-IXDOHACOSA-N 350.415 0.746 0 1 FCAF COCCNC(=O)C[C@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 95678222 LJTZBZLXVQJQJX-BZUAXINKSA-N 371.478 0.680 0 1 FCAF CCNC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 95906546 SRPGMYIGJWTTHA-CWRNSKLLSA-N 368.455 0.484 0 1 FCAF Cn1ccnc1CN1C(=O)CO[C@@H]2CN(Cc3ccc(C(=O)O)cc3)C[C@@H]21 2356286236 CDGCYKOOQJILDS-JKSUJKDBSA-N 370.409 0.730 0 1 FCAF CC(C)c1oc(=O)cc2c1[C@H](O)[C@@H]1OC(=O)[C@@H]3C[C@H](O)[C@H](O)[C@]2(C)[C@@H]31 2356578266 LOODUNLGAJOCST-MLVGFBILSA-N 350.367 0.351 0 1 FCAF COCCNC(=O)[C@H]1CCC[C@H](NCc2cccnc2)CN(C)C(=O)C1 2356619258 YMGIRXIZHWONJS-IRXDYDNUSA-N 362.474 0.951 0 1 FCAF Nc1nc(N)c(Cc2ccccc2)c(OCCOCP(=O)(O)O)n1 27557371 SCWCNAMHBAHSKP-UHFFFAOYSA-N 354.303 0.762 0 1 FCAF CCc1cccc(Nc2ncnc3c2ncn3[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 49792377 GRUMNHDNZLNMIX-DRRHNWJESA-N 371.397 0.744 0 1 FCAF CN1C(=O)[C@@H]2[C@@H](N=C(N3CC[C@@H](N)C3)N2Cc2ccccc2)N(C)C1=O 169362278 PATUVNYIKBJGHW-ILXRZTDVSA-N 356.430 0.110 0 1 FCAF C[C@@H]1CC(=O)[C@@H](O)[C@]2(C)[C@@H]3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C[C@H]12 238749311 PMCVJBCXJPEXCO-AUQMLPHMSA-N 350.411 0.726 0 1 FCAF C[C@H](/C=C/[C@H]1[C@H](C)CC(=O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257494113 NLPBBNGDXNHAJP-QSDJILFPSA-N 372.458 0.389 0 1 FCAF endogenous,in-man N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(Cl)nc2[nH]1 587218328 HVYDFOWKRWJVTM-XPUUQOCRSA-N 369.765 0.435 0 1 FCAF C=c1ncsc1=C1NN=C([C@@H]2CCCN2C(=O)c2ccn(CC)n2)O1 1857592230 BRZBAMXTUMXBNA-LBPRGKRZSA-N 358.427 0.074 0 1 FCAF Cc1noc(C)c1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cc(Cl)cn2)[C@@H]1O 2356295394 HHNLGFUPCOAVLW-QMIVOQANSA-N 354.794 0.957 0 1 FCAF COC(=O)C1=CO[C@H](OC(C)=O)[C@@H]2C(COC(C)=O)=C[C@H](OC(C)=O)[C@H]12 2356454997 CNYKDWSMWFETDQ-QSJFSLAZSA-N 368.338 0.630 0 1 FCAF CC=C1C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@H]23 2356463384 YEXVXKIMPBHRQR-URWXWREGSA-N 353.415 0.244 0 1 FCAF CN(C)Cc1cn([C@@H]2CO[C@H]3[C@H]2OC[C@H]3NC(=O)C2CCCCC2)nn1 2356850860 QBFDDMSJZCUGQO-VQHPVUNQSA-N 363.462 0.744 0 1 FCAF C[C@]1(CO)[C@@H](O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]1(O)C[C@](C)([C@H](O)CO)CC[C@H]12 40585213 WDRRSJQZCVZNOS-OUBCPKIQSA-N 372.502 0.418 0 1 FCAF Cc1ncccc1OC1(C(=O)NCCCN2CCOCC2)CCNCC1 65373282 APWKVUAHKUXWSP-UHFFFAOYSA-N 362.474 0.730 0 1 FCAF Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@](C)(O)[C@H](O)C[C@H]2C(=O)O)cc1 299861453 IGAUVYRDZRKQFK-JXFSHQFZSA-N 371.411 0.023 0 1 FCAF O=C1[C@H]2C[C@H](O)CN2C2(CN(C3CCCC3)C2)C(=O)N1Cc1ccccc1 2356584194 WHLVJJOZWAUELW-ZWKOTPCHSA-N 369.465 0.988 0 1 FCAF Cc1cc(C)n([C@@H]2[C@H]3OC[C@@H](O3)[C@H](NC(=O)Nc3cccnc3)[C@H]2O)n1 2356589340 FIUVBPQZEMVOEB-CWVYHPPDSA-N 359.386 0.742 0 1 FCAF CC1(C)[C@H](C(=O)O)N2C(=O)[C@@]3(C[C@@H]3OC3CCCCC3)[C@H]2S1(=O)=O 13521688 KBFIEDQJOLWBJX-WYURAEBNSA-N 357.428 0.923 0 1 FCAF C/C=C1\C(=O)O[C@@H]2CCN3CC[C@@H](COC(=O)[C@](C)(O)[C@H](C)[C@H]1O)[C@H]23 16930736 FAFYHPIEFKLDSP-UVNJXODNSA-N 353.415 0.244 0 1 FCAF CCCCCCc1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 49109750 JHIMHVBCQIZHLQ-PBWSWVRCSA-N 351.407 0.143 0 1 FCAF C[C@@H]1[C@@H](O)[C@]2(C)CC(=O)O[C@@H]3CCN4CC=C(COC(=O)[C@@]1(C)O2)[C@H]34 39029126 KQMXUQMWADZGBV-OTVVXEJNSA-N 351.399 0.404 0 1 FCAF Cn1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2ccccc2)n1 100297535 VVPOTXIOUPHXSR-QWHCGFSZSA-N 351.322 0.959 0 1 FCAF N=c1ccc(-c2nc(N3CCOCC3)c3c(n2)N2CCOC[C@H]2C3)c[nH]1 1857573309 QABQGNKUVHFGFL-CYBMUJFWSA-N 354.414 0.549 0 1 FCAF OC[C@H]1O[C@@H](c2cccc(Cc3ccc4c(c3)CC4)c2)[C@H](O)[C@@H](O)[C@@H]1O 1857757153 VHWLSYNDVXNECI-ADAARDCZSA-N 356.418 0.891 0 1 FCAF CO[C@@H]1CC(=O)[C@H](C)OC(=O)C[C@H](C)OC(=O)C=C[C@H](O)[C@H](C)OC1=O 2356661993 YDSGABQYSNZCFX-CUOUOBHDSA-N 372.370 0.077 0 1 FCAF COC(=O)C[C@@H](C(=O)O)[C@@H](OC(=O)C=Cc1ccc(O)cc1)C(=O)O 2356811609 BFIZTMTYNBJRSW-BXUZGUMPSA-N 352.295 0.666 0 1 FCAF C[C@@](O)(C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(F)(F)F 13804044 RWPWKRVUGPIRMZ-CYBMUJFWSA-N 366.361 0.833 0 1 FCAF OC[C@@H]1O[C@H](n2cnc3c(NC4CCCCCC4)ncnc32)[C@@H](O)[C@@H]1O 28770983 LVRXGPGFWBAHOI-SYEQVDHESA-N 363.418 0.573 0 1 FCAF COc1cc(/C=C/C(=O)O[C@@H]2[C@H](O)C[C@]3(O)C[C@H]2OC3=O)ccc1O 95617912 OIGFDFULTVHQNZ-KJJWLSQTSA-N 350.323 0.137 0 1 FCAF endogenous,in-man O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccncc1 95905166 IROYBOQXOSSVQK-GVDBMIGSSA-N 359.426 0.689 0 1 FCAF COc1ccccc1/C=c1/[nH]c(=O)/c(=C\c2ccccc2OC)n(C)c1=O 169348737 JEJSXSIWTVBYEP-UNZYHPAISA-N 364.401 0.748 0 1 FCAF COc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1C(C)(C)C 238767174 VCLBQBHTILPHKD-JHZZJYKESA-N 356.371 0.264 0 1 FCAF O=C(O)CCCCCNC(=O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2C[S@]1=O 263621199 WVGTVVXHODUEJR-YQUUZUODSA-N 373.475 0.489 0 1 FCAF in-vitro N=C(N)Nc1cccc([C@@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 299839496 YKCDVZGMEHGJGV-LSDHHAIUSA-N 354.414 0.205 0 1 FCAF CNC(=O)[C@@H](c1cccc(O)c1)N1CCC[C@@H]1C(=O)N(C)CCN(C)C 2356302262 PZOWNIYRXCECEP-IAGOWNOFSA-N 362.474 0.664 0 1 FCAF CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@H](O)[C@@H](CO)O2)c1 61897046 LYZDTKLKKMCGTL-RRFJBIMHSA-N 372.443 0.214 0 3 FCAF CN(C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1)C1CCCCC1 45355256 SKGDBEJWKRHJAE-HUUCEWRRSA-N 354.472 0.920 0 1 FCAF COc1ccc(S(=O)(=O)N[C@H](c2nc3ncc[nH]c-3n2)[C@@H](C)O)cc1 586938309 WIEPTEUNMVXYHL-SKDRFNHKSA-N 363.399 0.714 0 1 FCAF Cc1cc2nc(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2cc1F 587223915 XFUQSRLNENUZIV-UWVGGRQHSA-N 366.349 0.314 0 1 FCAF COc1ccc(C(=O)N[C@@H]2CCN3C(=O)[C@@H]4C[C@@H](OC)CN4C(=O)[C@H]23)cc1 2356316845 TVSADXYPVAQASX-WCVJEAGWSA-N 373.409 0.024 0 1 FCAF COC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2cccc(OC)c2)[C@@H](CO)O1 95605170 OCKXSZHOFYXRRI-NWANDNLSSA-N 371.411 0.221 0 3 FCAF CNC(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1ccc(C)cc1 8550375 ZOFURDRBEHSXQP-INIZCTEOSA-N 374.466 0.915 0 1 FCAF CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](C)(O)[C@@H](C)O)[C@@H]12 14685606 KRUNVKVFXZKRDQ-JDIZFGSQSA-N 353.415 0.554 0 1 FCAF biogenic CCO[P@](=O)(CC(N)=O)OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1 27109980 GPPXEGZLTTZXCY-VANAEQNXSA-N 373.302 0.030 0 1 FCAF C[C@@H](O)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1COCC1=O 29571035 NKPSVGWTQPJOFL-VPJDZLOFSA-N 362.407 0.465 0 1 FCAF COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1CC1CCOCC1 95884652 HJKBIQDSPUJSJY-ZZCKCESHSA-N 362.426 0.412 0 1 FCAF C[C@@H]1Cc2c(O)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1 147004152 RZSZPVBJGJPQOH-GFCCVEGCSA-N 370.409 0.832 0 1 FCAF O=C(O)CNC(=O)c1ncc2ccc(=O)n(Cc3ccccc3)c2c1O 169710957 HZRGZKILPSVNHE-UHFFFAOYSA-N 353.334 0.965 0 1 FCAF C/C=C1/C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN3C[C@H](O)[C@H](OC1=O)[C@H]23 238735358 NPYPUYCITBTPSF-DVYNIHTPSA-N 351.399 0.164 0 1 FCAF CC(=O)O[C@]1(C)C[C@H](O)C2=C(CO)C(=O)OC2=C[C@@]2(C)CC[C@@]1(O)O2 2356643632 ZGQYQZSMVWPWJB-KSHAWTQOSA-N 354.355 0.060 0 1 FCAF COC[C@@H]1CCCN1[C@H]1CS(=O)(=O)N[C@@H]1COCc1ccccc1 96021044 UUDZWOJZZZYUAT-BBWFWOEESA-N 354.472 0.984 0 3 FCAF CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCO[C@H]1O 13478171 QHZOMDFYCYONFD-KCQAQPDRSA-N 360.407 0.352 0 1 FCAF CC(C)S(=O)(=O)Cc1nc(N)c2nnn(C[C@@H]3CCCCO3)c2n1 84708759 HIAYUVBFSXEZMX-JTQLQIEISA-N 354.436 0.696 0 1 FCAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC(F)(F)C3)n2)cn1 221175097 NJWXGOFJNJCSCI-QWRGUYRKSA-N 361.356 0.949 0 1 FCAF CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1 257554268 UJRMJTIXXKZFGB-SPZLIACDSA-N 374.474 0.469 0 1 FCAF endogenous,in-man O=[n+]1nc(CCCN2CCOCC2)n(O)c2cc3c(cc21)C[C@@H](CO)C3 377811534 QFXUQLCIIOKIFO-ZDUSSCGKSA-N 361.422 0.160 0 1 FCAF O=C(O)CN(CCN1CCOCC1)Cc1ccc(C(=O)O)c(C(=O)O)c1 473086068 GSIHEBVYROGAQU-UHFFFAOYSA-N 366.370 0.302 0 1 FCAF Nc1nccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 586942927 UDXPQVNQIARVOF-UHFFFAOYSA-N 352.807 1.110 0 1 FCAF CCOC(=O)[C@H](c1ccc2c(O)nc(O)nc2n1)[C@H]1CCS(=O)(=O)C1 587562909 MSCKYWRMYUUJSV-KWQFWETISA-N 367.383 0.517 0 1 FCAF CS(=O)(=O)c1cc2c(nc1O)CCc1cc3c(O)nc(O)nc3nc1-2 587562940 NJPAXHPOGREIHN-UHFFFAOYSA-N 360.351 0.706 0 1 FCAF Cc1c(C(=O)N2C[C@@H]3[C@H](CF)[C@@H]3C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857611975 LMZTUUOBWKWOPO-LMKPVCQUSA-N 356.361 0.804 0 1 FCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3ncccc3C)[C@H](O)[C@@H]2O1 2356301454 IXYPZCDHHWNSDS-FVNRHKFKSA-N 363.458 0.682 0 1 FCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NC3CCC3)[C@@H](O)[C@H]2O1 2356491324 HPUBGOVXOLSIJW-CNBXADPUSA-N 355.435 0.040 0 1 FCAF CO[C@H](C)[C@](OC(C)=O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@H]12)C(C)C 15268667 UEMPPXSRXKNHHB-ANRZDRKOSA-N 355.431 0.898 0 1 FCAF biogenic CC(C)C[C@@H](CO)NC(=O)[C@H]1O[C@@H]2CN(Cc3ccccc3)C(=O)[C@H]1O2 72109708 YLFMGINTBAGZCH-QAETUUGQSA-N 362.426 0.662 0 1 FCAF CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@H](C(=O)NC2CCCCC2)[C@@H]3C1=O 100517083 QSEMSDJEVDJLHY-HWLIBYHHSA-N 362.426 0.780 0 1 FCAF O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(-c3ccc4c(c3)OCO4)c(=O)c12 137078130 YUDCDSHADUJZIO-UHFFFAOYSA-N 351.274 0.047 0 1 FCAF C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 169373009 RTCACLNSEXRQIB-IOZHKHHASA-N 366.410 0.322 0 1 FCAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(-n3cnnn3)cc2[nH]1 587205151 YJRRHDQGYDMEBQ-ZDUSSCGKSA-N 356.390 0.617 0 1 FCAF Cn1cc(CN[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](n3cnc4ccccc43)[C@@H]2O)cn1 2356296823 OIORURCXBPPWFQ-SFFUCWETSA-N 355.398 0.585 0 1 FCAF C[C@@]1(CO)[C@H]2CCC3=C[C@H]4C[C@]3([C@@H](O)C[C@]4(O)CO)[C@]2(C)CC[C@H]1O 2356720687 GQYCEVDLCYZRSU-RWBBPXGKSA-N 352.471 0.977 0 1 FCAF CN1CCN(C(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)CC1 15786737 TZXCQGIFPRXZLH-UHFFFAOYSA-N 350.400 0.431 0 1 FCAF Cn1c(=O)c2c(nc3n2CCCN3C[C@H](O)c2ccccc2)n(C)c1=O 28872361 BJPIKEGTFZZSRX-ZDUSSCGKSA-N 355.398 0.377 0 1 FCAF Nc1nc(NCCc2ccccc2)nc2c1ncn2[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 36272170 OZCCPYHYSIPRDM-OSRDXIQISA-N 370.413 0.091 0 1 FCAF C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C 95850366 PFQPPSPXSKCUPO-DZKIICNBSA-N 353.467 0.364 0 1 FCAF COc1cc(/C=C2\SC(=O)N(CC(=O)O)C2=O)ccc1OCC(N)=O 169341021 APNWOMHWZFYIGH-WZUFQYTHSA-N 366.351 0.680 0 1 FCAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cnncc3[nH]2)[C@@H](C)O)cc1 586934327 GAFKDTOHHKQTJM-YMTOWFKASA-N 363.399 0.762 0 1 FCAF COC[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)CCC1=O 1772657297 HFHULOZWHQBMLS-OAHLLOKOSA-N 363.389 0.638 0 1 FCAF CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H]3CC=C(C)[C@H]2C3(C)C)[C@@H](O)[C@H](O)[C@H]1O 2356575812 CHNWDUCYLHVSJP-JILIKOQDSA-N 356.415 0.365 0 1 FCAF CC(C)NC(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@H](NCc3ccccn3)CN12 2356822462 FVUBXUSENAPZNJ-GVDBMIGSSA-N 359.474 0.417 0 1 FCAF C[C@@H](NCc1cc(C(F)(F)F)cc2[nH]c(=O)c(=O)[nH]c12)P(=O)(O)O 1546577 RDTOXUOEIJUIMX-YFKPBYRVSA-N 367.220 0.849 0 1 FCAF Nc1nc2c(ncn2Cc2cccc(OCP(=O)(O)O)c2)c(=O)[nH]1 13833695 WXZSLCNKZFORPD-UHFFFAOYSA-N 351.259 0.264 0 1 FCAF CC(C)NC(=O)N1CCNC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(N)=O 25427998 PYTAXCIWZXVYOI-HUUCEWRRSA-N 367.494 0.319 0 1 FCAF biogenic CN(C)CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21 28772093 CKSVOTLTTYHELU-UHFFFAOYSA-N 362.405 0.810 0 1 FCAF C[C@H]1CCC[C@H](OCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)C1 95552469 JDOPVYMZRIDBHT-KCTOORRSSA-N 359.507 0.901 0 1 FCAF O=C(NC[C@]1(O)COCCN(Cc2ccc(O)cc2)C1)c1cnccn1 299850727 JXUBHBGFLXSCKE-GOSISDBHSA-N 358.398 0.176 0 1 FCAF CS(=O)(=O)/C=C/c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 586925711 IFFRKYAMUVXCJU-RUDMXATFSA-N 371.440 0.599 0 1 FCAF NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1-n1cccn1 1772650998 RMQXUTRSPNKGFB-HNNXBMFYSA-N 363.377 0.663 0 1 FCAF COc1cc(O)c2c(c1)[C@H](O)[C@@H]1[C@H](C[C@H](OC(C)=O)[C@@](C)(O)[C@H]1O)C2=O 2356579987 JOCYAISYJVQQMF-ZGTGTVHPSA-N 366.366 0.310 0 1 FCAF CS(=O)(=O)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2Nc1nccc(C2CCCC2)n1 2356865780 WMMHTLLCNKBCQY-TUVASFSCSA-N 368.459 0.630 0 1 FCAF CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@H](C)CO)cc1 61921813 QPJZRFKUULNUTC-SNVBAGLBSA-N 360.370 0.949 0 3 FCAF CC1CCN(Cc2nnnn2CC(=O)N2CCCC[C@H]2CCO)CC1 12073992 MRMNIQSGHJVILB-HNNXBMFYSA-N 350.467 0.669 0 1 FCAF O=C(O)CNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O 169710914 QSYGSJSVBVAIHJ-UHFFFAOYSA-N 353.334 0.965 0 1 FCAF CO[C@H]1[C@H]2CCN[C@H]3C[C@H]4[CH][C@H]5OCO[C@H]5[CH][C@@H]4[C@H]([C@@H]32)[C@@H](O)[C@H]1OC 255278892 WYFHQTGRQQTOGN-PUJJIQQQSA-N 351.443 0.401 0 1 FCAF COc1nccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c12 586935413 GQJBHIQGSOYITQ-UHFFFAOYSA-N 361.383 0.397 0 1 FCAF O=C(NCc1ccco1)[C@H]1CN2CC[C@H]1C[C@H]2Cn1cc(CCO)nn1 2356298555 KPUMDYCVWZVXFO-QRTARXTBSA-N 359.430 0.433 0 1 FCAF Cc1cn([C@H]2C[C@H](O)[C@@H](/C=C/C(=O)NCc3ccccc3)O2)c(=O)[nH]c1=O 72136917 MTGSANIKARQEIZ-DPFIGZILSA-N 371.393 0.366 0 3 FCAF COC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2OC)[C@@H](CO)O1 95601299 DJSNDYSLBLTXDL-OUCADQQQSA-N 373.427 0.445 0 3 FCAF O=C(O)CN1[C@@H](C(=O)O)Nc2cc(Cl)cc(Cl)c2S1(=O)=O 26656618 GEDOOADAPGTTRV-VIFPVBQESA-N 355.155 0.905 0 1 FCAF Cn1ncc2c(c1=O)OCCCN2C(=O)CNCCOc1ccccc1 26727978 VJCQPSJWOKMBKX-UHFFFAOYSA-N 358.398 0.564 0 1 FCAF COC(=O)CC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)OC 40917062 IDWGXOIYJZMUDI-ZFWWWQNUSA-N 361.398 0.649 0 1 FCAF CC(C)NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO 95908203 DMROSRCUXVWXJU-PMPSAXMXSA-N 371.478 0.535 0 1 FCAF C[C@@H](CO)[C@@H]1C[C@H]2[C@]3(C)C[C@]4(O)O[C@H]([C@@H]5[C@@H](C)[C@H](O)C[C@]53O)[C@@]2(O)[C@@]14C 104371286 HQUSKUTUDDZKOD-WOHBIJAOSA-N 368.470 0.247 0 1 FCAF in-man CC(C)N1CC[C@@H]2[C@@H]1C(=O)NC[C@@H](CCC(=O)N1CCC(O)CC1)N2C 2356832216 IAIAWCBQSJWOIQ-QGPMSJSTSA-N 366.506 0.031 0 1 FCAF COc1cc(C(=O)O[C@H](C)[C@H]2C(=O)N/C2=C\C(=O)O)cc(OC)c1OC 38267348 XYCZYJPUHOZGCG-PXEHPAMWSA-N 365.338 0.972 0 1 FCAF CC(C)C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 39796219 SUPVSFFZWVOEOI-UGFHNGPFSA-N 365.430 0.382 0 1 FCAF biogenic COCCNC(=S)NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCN(C)CC1 43527233 ULTRDELSKQZNGY-IXDOHACOSA-N 369.579 0.055 0 1 FCAF biogenic COc1ccc2c(N3CCC(CNS(N)(=O)=O)CC3)ncnc2c1 71295520 JLCCURAODUBLID-UHFFFAOYSA-N 351.432 0.648 0 1 FCAF O=C(C[C@@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NC1Cc2ccccc2C1 95887230 VINMFOKKSKWMTO-OKYOBFRVSA-N 360.454 0.557 0 1 FCAF Cc1cc2nc(C[C@@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c2cc1C 587220547 NKFADFIOHBQMAU-GHMZBOCLSA-N 362.386 0.484 0 1 FCAF O=C1[C@H]2C[C@H](O)CN2C2(CN(CC3CC3)C2)C(=O)N1Cc1ccccc1F 2356290869 DALWIKKLXQWUQJ-DOTOQJQBSA-N 373.428 0.594 0 1 FCAF O=C1C=C[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@H]2[C@@H](O)[C@@H](O)C3=O 14417447 YENSFTGZHXXZLK-LMCOJAPRSA-N 366.325 0.720 0 1 FCAF biogenic O=C1[C@@H]2O[C@@H]2C2(Oc3cccc4cccc(c34)O2)[C@]23O[C@]12[C@@H](O)C=CC3=O 14636329 HYDQYYPALJMCCU-MQPLHJKPSA-N 364.309 0.665 0 1 FCAF biogenic CC[C@H](N)C(=O)N[C@@H]1CC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O 28458969 GKPMRGORHINVPF-NXOAAHMSSA-N 372.469 0.678 0 1 FCAF CC(=O)N[C@H]1CCN(C(=O)c2cnc(COc3ccccc3)[nH]c2=O)C1 91635838 QGCRMAKMTLSKJR-ZDUSSCGKSA-N 356.382 0.700 0 1 FCAF COC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(OC)cc2)[C@H](CO)O1 95675497 PJOLWCYMJOXMFX-CFVMTHIKSA-N 373.427 0.445 0 1 FCAF CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2N)[nH]c1=O 113069192 ZSFHNGIJEZBWOM-SFGFDRCGSA-N 351.410 0.324 0 1 FCAF COC(=O)C1(c2ccc(-c3nc4c(=O)n(C)c(=O)nc-4n(C)n3)cc2)CC1 1911575334 TWFUMRWELGGOTI-UHFFFAOYSA-N 367.365 0.245 0 1 FCAF O=C(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 61905626 WLRYRMWMVDRYSD-GWOFURMSSA-N 361.276 0.002 0 3 FCAF CS[C@@]1(CO)C(=O)N2c3c(O)cccc3C[C@@]2(SC)C(=O)N1C 13377826 BUSZSWVUELPPBM-CABCVRRESA-N 354.453 0.864 0 1 FCAF biogenic O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@H](CO)S2)cc1C(F)=C(Cl)Cl 27887497 MHRRXVDFIDEAGA-DSYKOEDSSA-N 357.190 0.967 0 1 FCAF CCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CCOCC3)ccc2c1=O 28641886 XMOSXMKEBZFIKU-UHFFFAOYSA-N 374.441 0.552 0 1 FCAF Cc1cn2c(nc1=O)O[C@H]1C[C@H]2O[C@@H]1CN1C(=O)c2ccccc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c1nc2cc(Cl)cnc2[nH]1 587222816 ZZNXCQAZZIGFCA-JGVFFNPUSA-N 369.765 0.435 0 1 FCAF CN(C)Cc1cn(C[C@@H]2C[C@H](NC(=O)Nc3ccccc3)[C@@H](O)[C@H]2O)nn1 2356594657 FHZXCNHVWDCFAV-OSMBCOQSSA-N 374.445 0.272 0 1 FCAF C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)CN)c[nH]1 14962759 WIWPGJGLUKQUKV-SXGWCWSVSA-N 368.397 0.963 0 1 FCAF COC(=O)[C@H]1CN(C(=O)C2CCNCC2)CCN1C(=O)C1CCCCC1 25412570 WRGFVRGLKHKMNY-MRXNPFEDSA-N 365.474 0.779 0 1 FCAF biogenic CC(C)C[C@@]1(NC(=O)[C@@H]2CCCN2)CC[C@@]2(C(N)=O)CCCN2C1=O 28864280 DFLUKASCLTVCDH-DOPJRALCSA-N 350.463 0.280 0 1 FCAF CC(C)C[C@H](N)C(=O)N[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C 39798077 YQFZRHYZLARWDY-MELADBBJSA-N 358.483 0.199 0 1 FCAF biogenic COc1ccc(C(=O)NCC(=O)NCCCC[C@@H](N)CC(=O)O)cc1 40847474 JYEZGXDPMJQIRR-CYBMUJFWSA-N 351.403 0.514 0 1 FCAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=C(/F)CCCC(=O)O)[C@@H](O)[C@H]1O 40953478 FIDFOESWTLUCLN-WXDJRVBOSA-N 367.337 0.136 0 1 FCAF O=C(C[C@H]1C=C[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCC(F)(F)F 95678175 QQIOQVYYWJVUEN-IJLUTSLNSA-N 350.337 0.656 0 1 FCAF Cc1cnn([C@@H]2[C@H]3OC[C@@H](O3)[C@H](NCc3ccc4c(c3)OCO4)[C@H]2O)c1 2356295518 HXCQAWQEFYEQQY-ICUGJSFKSA-N 359.382 0.736 0 1 FCAF C[C@@H]1C[C@H](O)CC(C)(C)[C@@H]1CC[C@H](CO)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O 2356438430 FSMSNKQMSSKYBN-IKNPEOMTSA-N 362.463 0.016 0 1 FCAF CC(=O)OC[C@H]1O[C@@H](O[C@@H](C)CCc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O 2356572765 NMWVITCXHMJFOY-IZRGWKLXSA-N 370.398 0.101 0 1 FCAF COc1ccc(C=CC(=O)O[C@@H]2[C@H](C)O[C@H](O)[C@H](O)[C@H]2OC(C)=O)cc1 2356576301 VMSZXJQLNONAIB-NKEQUCRHSA-N 366.366 0.650 0 1 FCAF O=C(Cc1ccccn1)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO 95906343 ZBZATYGIRVPWKB-KURKYZTESA-N 373.453 0.827 0 1 FCAF CN1C(=O)NC(=O)[C@@H]2[C@@H]1N=C(N1CCNCC1)N2CCCc1ccccc1 211129820 NAGQSFHQAMVTCR-JKSUJKDBSA-N 370.457 0.072 0 1 FCAF Cc1cccc(OC[C@@H]2C[C@H](NC(=O)C3CCOCC3)[C@@H](O)[C@@H]2O)n1 2356290340 QCQFWPGBTRVLBZ-XJNFMUPTSA-N 350.415 0.422 0 1 FCAF CS(=O)(=O)N[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2n1cc(-c2ccccc2)nn1 2356873464 YGWQWBNCHXZDMD-KBXIAJHMSA-N 350.400 0.202 0 1 FCAF O=C(CNC(=O)Cn1ccc2ccccc2c1=O)NCCCN1CCCC1 3896419 MRHIAYLEJZJYPC-UHFFFAOYSA-N 370.453 0.720 0 1 FCAF Nc1cc(N2CC[C@H](N)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1 26248273 RTTYQIZNOOIDFN-QMMMGPOBSA-N 372.410 0.660 0 1 FCAF Cc1cn2c(nc1=O)O[C@H]1C[C@@H]2O[C@@H]1CN1C(=O)c2ccccc2C1=O 26489692 PUPFPVGEFJMWHO-MJBXVCDLSA-N 353.334 0.896 0 1 FCAF Cc1ccc(CNc2ncnc3c2ncn3[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 49021713 GSNRZPKLEWMHHM-DRRHNWJESA-N 371.397 0.358 0 1 FCAF N[C@H]1CS(=O)(=O)C[C@@H](Cc2ccc(O)c(Br)c2)[C@@H]1O 71317816 CSNNEONDATWXHU-QRTLGDNMSA-N 350.234 0.430 0 1 FCAF CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1 95887793 XUIBJKJBLJUMMA-WCXIOVBPSA-N 368.474 0.791 0 1 FCAF C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnc(N)nc4)nc3c21 118519996 HAAVOSWDSNVENC-SECBINFHSA-N 351.370 0.876 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc(F)cc2[nH]1)C(=O)O 587218224 FWPGHZJFSNJVJJ-WCBMZHEXSA-N 352.322 0.006 0 1 FCAF CC1(C)CN(S(C)(=O)=O)C[C@H]2CN(C(=O)Cc3ccccc3)CCN21 2356303526 XLXBZIOYURWJBR-MRXNPFEDSA-N 365.499 0.796 0 1 FCAF O=c1[nH]c(=O)n(C[C@H]2CCC[C@@H]2CO)cc1I 26153047 WXJHFEJWDNCTCM-HTQZYQBOSA-N 350.156 0.550 0 1 FCAF C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1)C(=O)O 26473540 NSKHJISEZNFHIJ-DZGCQCFKSA-N 353.463 0.842 0 1 FCAF CC(=O)Oc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@@H](O[N+](=O)[O-])CO[C@@H]21 45260708 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Nc1ncnc2c1ncn2[C@H]1O[C@@H](CSC(F)(F)F)[C@@H](O)[C@@H]1O 5594707 SVAPYGHZOUZUSS-HUEBKHCJSA-N 351.310 0.281 0 1 FCAF Cn1cc(NC(=O)c2cc(NC=O)cn2C)cc1C(=O)NCCC(=N)N 6072392 RLINKTRQUWUNPA-UHFFFAOYSA-N 359.390 0.240 0 1 FCAF Cc1c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C 12372090 YNNUVFDHJLOEGF-XGUBFFRZSA-N 351.362 0.927 0 1 FCAF O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(CN1CCOCC1)c1ccccc1 13887355 RYWIXIGDLHGWJD-AZUAARDMSA-N 360.454 0.844 0 1 FCAF CN(C(=O)C[C@@H](N)CCCCN)[C@@H]1CNC(Nc2ccccc2)=NC1=O 26577517 VOKBHZHJLWLGEJ-DZGCQCFKSA-N 360.462 0.258 0 1 FCAF CC1=CC(C(=O)NN2CCOCC2)=NS(=O)(=O)N1Cc1ccccc1 28876161 MOMSLSHRCUXFIG-UHFFFAOYSA-N 364.427 0.455 0 1 FCAF O=C(C[C@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NC1Cc2ccccc2C1 95887231 VINMFOKKSKWMTO-MANSERQUSA-N 360.454 0.557 0 1 FCAF Nc1ncnc2c(CN3C[C@H](CSc4cnccn4)[C@@H](O)C3)c[nH]c12 143833774 UMOBRIXOOIFSTP-NEPJUHHUSA-N 357.443 0.915 0 1 FCAF in-vitro Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@@H]4C[C@H]3CO4)n2)cn1 221359561 HSBNVNGKTAVJHS-XUXIUFHCSA-N 367.413 0.471 0 1 FCAF Cc1cc2nc(C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c2cc1C 587220551 NKFADFIOHBQMAU-WDEREUQCSA-N 362.386 0.484 0 1 FCAF CN(C)S(=O)(=O)c1cccc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c12 587969871 AWRJCVRBZUWDLL-ILWJIGKKSA-N 353.356 0.312 0 1 FCAF CCNc1c(C(=O)N(C)Cc2ccc(F)cc2)c(=O)n(O)c(=O)n1C 1857598032 MRKIDZKXZRAYCH-UHFFFAOYSA-N 350.350 0.627 0 1 FCAF CC[C@]12C(=O)N(C)C[C@H]([C@@H]3C(=O)N(C)C(=O)[C@@H]31)N2C(=O)c1ccc(F)cc1 61949159 VFHBJRWMCMEUTN-ZYKCCNLVSA-N 373.384 0.502 0 3 FCAF C/C=C1/C[C@@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 4964105 BCJMNZRQJAVDLD-JXTHVNFNSA-N 351.399 0.165 0 1 FCAF Cc1cc(=O)n2nc(N3CCC(C(=O)N4CCOCC4)CC3)sc2n1 5148870 VREVENICUCISSY-UHFFFAOYSA-N 363.443 0.535 0 1 FCAF CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)O 13545418 AZCVBVRUYHKWHU-YRGRVCCFSA-N 350.396 0.566 0 1 FCAF biogenic C[C@H](Oc1ccccc1)C(=O)N[C@@H](Cn1cncn1)CP(=O)(O)O 26172986 BBHUTOXJVLSIDF-RYUDHWBXSA-N 354.303 0.408 0 1 FCAF O=C1C(Cl)=C(N2CCN(CCO)CC2)C(=O)N1c1ccnc(Cl)c1 64622681 HLQAVLFRCOFBBS-UHFFFAOYSA-N 371.224 0.669 0 1 FCAF CN(C)CC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO 95907821 SFZNPDWWPXCWOM-ULQDDVLXSA-N 369.506 0.659 0 1 FCAF CC(=O)Oc1ccc(C[C@H](NC(=O)C(C)(C)N)C(=O)O)cc1OC(C)=O 96937357 LQBZZPCULBOWBC-LBPRGKRZSA-N 366.370 0.386 0 1 FCAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3Cc4ccccc4C3)[C@@H](O)[C@H]2O1 2356294269 OACUUEQXZMODSU-NRVIEEGESA-N 374.481 0.944 0 1 FCAF COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@H](n3ccnc3)[C@@H]2O)cc1 2356297793 YIFAHSWRIUKVAE-QCODTGAPSA-N 360.370 0.739 0 1 FCAF COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccccc3[C@@]23C[C@@H](CO)N=C3N1 15952324 KUOIELVUBBBEPR-PYFOHURJSA-N 371.393 0.109 0 3 FCAF Cc1cn([C@H]2C[C@H](O)[C@@H](CO)[C@@H]2OCCCc2ccccc2)c(=O)[nH]c1=O 27517970 HJPABCUCIYJNES-OWSLCNJRSA-N 374.437 0.777 0 1 FCAF C[C@]1(CO)[C@@H](O)CC[C@]2(C)[C@@H]1C[C@H](O)[C@@]1(O)C[C@](C)([C@@H](O)CO)CC[C@@H]21 28648791 WDRRSJQZCVZNOS-BEQFEISFSA-N 372.502 0.418 0 1 FCAF O=C(CO)Nc1cc2c(cc1OC(=O)CO)Oc1ccc(CO)cc1N2 95593545 CDACWMJJCUJWLL-UHFFFAOYSA-N 360.322 0.857 0 1 FCAF biogenic CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)C1CCC1 95881058 ACKHBCJWHKTZAX-WCZJQEMASA-N 373.453 0.665 0 1 FCAF Cn1c(Cl)cnc1[C@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963220008 UYHMAVNZALCJNS-OUJBWJOFSA-N 360.805 0.644 0 1 FCAF N[C@H]1[C@H](c2n[nH]c(-c3ccc4ccccc4c3)n2)O[C@H](CO)[C@@H](O)[C@@H]1O 1772609376 IMNCDLXOKIGZHY-OXGONZEZSA-N 356.382 0.106 0 1 FCAF O=C(O)CCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356570883 YVKZCBAGQKELGQ-GAUGTXIDSA-N 350.408 0.008 0 1 FCAF O=C(O)CSCC(=O)N1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 8295663 NANPVUPBQNNAEN-LBPRGKRZSA-N 363.395 0.484 0 1 FCAF biogenic O=C(O)CCC(=O)N[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2n1nnnc1-c1ccccc1 25219132 RBRQIMISOFIZLN-KNPMLCFXSA-N 373.369 0.028 0 1 FCAF biogenic OC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4C[C@H]5CC[C@@H]4C5)ncnc32)[C@H](O)[C@@H]1O 36272135 YKPCEENRZZBDMC-JIOBFHKNSA-N 361.402 0.038 0 1 FCAF COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)O)O[C@@H](CO)[C@@H]1O2 95794226 IBLCTBDNYJNFBT-YBGJWKAOSA-N 351.355 0.741 0 1 FCAF O=C(NC1CCCCC1)[C@@H]1CN2CC[C@H]1C[C@H]2Cn1cc(CCO)nn1 2356299389 BRVWAFDZANYSSS-JCGIZDLHSA-N 361.490 0.972 0 1 FCAF CNC(=O)[C@@H](c1ccccc1OC)N1CCC[C@@H]1C(=O)N1CCN(C)CC1 2356408346 CUOJFRNMGDYXDA-SJLPKXTDSA-N 374.485 0.721 0 1 FCAF CC1=C(C=C[C@H](C)O)C(C)(C)C[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1 2356541179 QCWVLOHTLDDUEL-ZSQRFRKWSA-N 372.458 0.245 0 1 FCAF COc1ccc(C=CC(=O)O[C@@H]2[C@H](O)O[C@H](C)[C@@H](O)[C@H]2OC(C)=O)cc1 2356643714 CGTSPIFRZLFPQQ-BMRIKIDUSA-N 366.366 0.650 0 1 FCAF COc1cc(CCCO)cc2c1O[C@H](C1=C[C@H](O)[C@@H](O)CC1)[C@@H]2CO 2356688185 RAROOKDBJRIINZ-MUQADHOPSA-N 350.411 0.899 0 1 FCAF CC(=O)NC[C@H]1CN(c2cc(F)c(N3CC(C)(O)C3)c(F)c2)C(=O)O1 28708284 ADMLBQNYCTZWRC-NSHDSACASA-N 355.341 0.997 0 1 FCAF CCOCCNc1cc(Cl)c(S(N)(=O)=O)cc1S(=O)(=O)O 40801872 JWTKFWZXIUGMSG-UHFFFAOYSA-N 358.825 0.683 0 1 FCAF CN(C)CCn1ncc2c1nc(N)n1c(=O)n(Cc3ccccc3)nc21 71317738 ZTCPCFPNHRIZTE-UHFFFAOYSA-N 352.402 0.433 0 1 FCAF CC(C)NC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCCN(C)C)O[C@@H]1CO 95676992 VFOAUUBLSWMNNG-RRFJBIMHSA-N 358.483 0.061 0 1 FCAF O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CC2)O1)NCC1CC1 95884805 SQIZVCZSVBGYDX-MLHJIOFPSA-N 352.475 0.922 0 1 FCAF CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1 95885278 LKURNHMJNKZKIW-HZMVEIRTSA-N 368.474 0.839 0 1 FCAF COCCNC(=O)C[C@@H]1CC[C@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 95903462 ZLYKEDBTDDZFNH-SOUVJXGZSA-N 357.451 0.289 0 1 FCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(N4CCCCC4)nc23)N1 205036983 KOMAAJVFZAVJTA-WQLSENKSSA-N 368.401 0.869 0 1 FCAF CC1(C)OC[C@@H]2O[C@]3([C@@H]4OC(C)(C)O[C@H]4CO)OC(C)(C)O[C@H]3[C@@H]2O1 254140615 AEXMLOVBBGJYHK-QQCJGXPLSA-N 360.403 0.897 0 1 FCAF O=C(NC[C@@]1(O)COCCN(Cc2ccc(O)cc2)C1)c1cnccn1 299850728 JXUBHBGFLXSCKE-SFHVURJKSA-N 358.398 0.176 0 1 FCAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(O)nc(S)nc2[nH]1 586957554 BDPSBFRWKRSDFZ-ZDUSSCGKSA-N 367.412 0.816 0 1 FCAF COCCOCC1(CNC(=O)c2nc3ccccc3[nH]2)C[C@@H](O)[C@H](O)C1 2356298745 YZYYTFTZCDKHJY-HUUCEWRRSA-N 363.414 0.458 0 1 FCAF CNC(=O)[C@H](c1ccccc1OC)N1CCC[C@@H]1C(=O)N1CCOCC1 2356387762 GXRGCFSVAJQEPL-WBVHZDCISA-N 361.442 0.806 0 1 FCAF CC=C1C[C@H](CO)[C@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23 2356531407 XVKRSUITGOSAJK-LLDVTBCESA-N 351.399 0.165 0 1 FCAF CN(CCc1ccccc1)[C@@H]1[C@H](CNCc2ccccn2)O[C@H](CO)[C@H]1O 2356827307 HPMSMOJYYOJUAS-DOIPELPJSA-N 371.481 0.835 0 1 FCAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc[n+]([O-])cc3nc2-1 13740824 TWOVMOZUPFPBOF-IBGZPJMESA-N 365.345 0.713 0 1 FCAF C[C@@H](CCc1ccccc1)NCCC(O)(P(=O)(O)O)P(=O)(O)O 27197092 IJTUQKRLPXHURD-NSHDSACASA-N 367.275 0.989 0 1 FCAF Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COC(=O)c2ccccc2)O1 28865086 WTAGHLQWXHCOEV-YNEHKIRRSA-N 355.354 0.914 0 1 FCAF CO[C@@]1(C)/C=N/CC(C)(C)NC(=O)[C@](C)(OC)/C=N/CC(C)(C)NC1=O 31851335 UHZFQYYITQQTCZ-NKHMANROSA-N 368.478 0.741 0 1 FCAF O=C(C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccncc1 95904126 UMZFBZHPBIGFIA-ZACQAIPSSA-N 361.442 0.913 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)ncc2[nH]1 587222500 YQOSIFPXDBCWEZ-NKWVEPMBSA-N 369.765 0.435 0 1 FCAF COc1cc2oc(C)cc(=O)c2c(O)c1CS(=O)(=O)CCNC(C)=O 13385308 OAZAJOMBGGJIBB-UHFFFAOYSA-N 369.395 0.867 0 1 FCAF biogenic,in-vitro O=C(O)CCNC(=O)CN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O 13436070 OVUGUCBXXXUOKB-AWEZNQCLSA-N 374.441 0.812 0 1 FCAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC[C@H](C(N)=O)C3)nc21 29328006 HWPAQHFHYMNHDV-VIFPVBQESA-N 362.361 0.955 0 1 FCAF CN(CC[C@@H]1CC[C@H](O)[C@@H](C(=O)N2CCOCC2)O1)Cc1cccnc1 30878813 AXUWKSHBSKAILD-BZSNNMDCSA-N 363.458 0.671 0 1 FCAF biogenic COc1cc2c(cn1)CN(C[C@]1(c3ccc(F)cc3)NC(=O)NC1=O)C2=O 49113227 IVWBDVJIUHIJFU-GOSISDBHSA-N 370.340 0.920 0 1 FCAF CN1C[C@H]2CN(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)CCN2C1=O 64436695 FEBXHGABQZCXAK-NEPJUHHUSA-N 370.375 0.942 0 1 FCAF COCCNC(=O)C[C@@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 95903453 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C[C@@H]1O[C@H](CNC(=O)c2csc(-c3ccccc3)n2)[C@@H](O)[C@H](O)[C@@H]1O 1857613077 OMYYTMYPDJRQEU-JZLHEVAFSA-N 364.423 0.410 0 1 FCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3ncccc3C)[C@H](O)[C@H]2O1 2356301452 IXYPZCDHHWNSDS-DRACIFKTSA-N 363.458 0.682 0 1 FCAF O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H]4OCCO[C@H]4[C@H]3O)cc2o1 2356709432 DRPNBPJOHDWMMN-FMPTWSOUSA-N 350.323 0.034 0 1 FCAF N=C(N)c1ccc(C(=O)NCC(=O)c2ccc(OCC(=O)O)cc2)nc1 13730652 DWGVEFOBPBTNLP-UHFFFAOYSA-N 356.338 0.442 0 1 FCAF CC(C)(C)C(=O)OCn1nc([C@@H]2O[C@H](CO)C[C@H]2O)c2ncnc(N)c21 27523159 GQMUOHQRXVEVLD-IGJMFERPSA-N 365.390 0.139 0 1 FCAF C[C@@H]1CCC[C@H](OCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)C1 95552468 JDOPVYMZRIDBHT-JWXAEQQXSA-N 359.507 0.901 0 1 FCAF CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1 95887796 XUIBJKJBLJUMMA-LUKYLMHMSA-N 368.474 0.791 0 1 FCAF CC(C)NC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)CN(C)C 95895038 NVPQDCKCIXYJGR-LZLYRXPVSA-N 362.474 0.611 0 1 FCAF CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@H](C(=O)NC2CCCCC2)[C@@H]3C1=O 100517079 QSEMSDJEVDJLHY-DEWZPKMOSA-N 362.426 0.780 0 1 FCAF Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H]3O[C@H](c4ccccc4)O[C@@H]32)c(=O)[nH]1 238743182 HEDMJUXVPMZAIO-HTJBVVOSSA-N 371.353 0.074 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cccc(F)c2[nH]1)C(=O)O 587222285 SIWDYNSRLVIGIG-WCBMZHEXSA-N 352.322 0.006 0 1 FCAF C[C@]1(O)c2n[nH]c3c(O)c4c(c(c23)[C@H](O)[C@@H]1O)C(=O)c1cccc(O)c1-4 2356325850 QVOSMRYNYHXRDM-SZMVWBNQSA-N 354.318 0.801 0 1 FCAF CO[C@H]([C@@H](OC)[C@@H](COC(C)=O)OC(C)=O)[C@@H](COC(C)=O)OC 2356531194 RUAAXNGDIMCTCD-KBXIAJHMSA-N 350.364 0.089 0 1 FCAF Cc1ccc(N2C(=O)N[C@@H]3CCN(C(=O)COCC(=O)O)[C@@H]3C2=O)cc1 4236392 KTLMVSPFQZJNBE-DOMZBBRYSA-N 361.354 0.122 0 1 FCAF biogenic O=C(O)c1cn2c3c([nH]c(=O)c2n1)-c1cccc(CP(=O)(O)O)c1C3 28760420 HUVYSPNFUQVXSP-UHFFFAOYSA-N 361.250 0.970 0 1 FCAF NCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(CC(N)=O)cc23)cc1 40937939 VJODYKRXQHPRCX-UHFFFAOYSA-N 373.438 0.495 0 1 FCAF O[C@@H]1[C@@H](CSc2ccc(I)cc2)O[C@@H](O)[C@@H]1O 49021697 CUCAMVFOUAOMBK-GWOFURMSSA-N 368.192 0.822 0 1 FCAF CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](C)CN2 82212503 RNJNNYXWHHLZPP-GFCCVEGCSA-N 373.413 0.805 0 1 FCAF Oc1ccc2c3c1O[C@H]1C4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@@]315)NN4 101230050 PPIOVCQBGJKBCK-UTRMSSBJSA-N 355.438 0.760 0 1 FCAF CC(C)(Oc1ccc(C#N)cn1)C(=O)NC1[C@H]2COC[C@H]1CC(C(N)=O)C2 138698685 QXFMPHMMODBPRL-MYMJJRTCSA-N 372.425 0.753 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc(F)cc2[nH]1)C(=O)O 587218218 FWPGHZJFSNJVJJ-PSASIEDQSA-N 352.322 0.006 0 1 FCAF CN(C)C(=O)Oc1cccc2c1cc(C(=O)NCCOCCO)c[n+]2C 1857537837 GIHIWGZRZAPVLN-UHFFFAOYSA-O 362.406 0.463 0 1 FCAF CN1CCC(N[C@@H]2[C@H]3CO[C@@H](O3)[C@H](n3cnc4ccccc43)[C@H]2O)CC1 2356297294 RIHLWYANEXBGSH-QQXKLLMISA-N 358.442 0.746 0 1 FCAF N[C@@]1(C(=O)O)[C@H](OCc2cccc(C(=O)O)c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O 13582159 TZPLLPRZYXZFFM-KUTPLIDGSA-N 353.302 0.495 0 1 FCAF CS[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](NC(=O)c2ccc3ccccc3c2)[C@@H]1O 28117171 HYWXGAWINOSGGV-VNIVASGNSA-N 363.435 0.740 0 1 FCAF C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@H](O)[C@@H](OC1=O)[C@@H]23 33913505 NPYPUYCITBTPSF-ODVZDGIRSA-N 351.399 0.164 0 1 FCAF O=C(C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CC1 95675156 LATIXEUUNJKTQG-PMPSAXMXSA-N 352.431 0.130 0 1 FCAF O=C(C[C@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)N1CCc2ccccc2C1 95887642 MNYFKSZVIZZWBR-AKHDSKFASA-N 360.454 0.858 0 1 FCAF CC(C)=CCc1cc(O)cc(C)c1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356428532 OMSWLPAQWYYSCB-RIUYPTKQSA-N 354.399 0.388 0 1 FCAF CN(CCc1ccccn1)[C@@H]1[C@H]2OC[C@@H](O2)[C@H](NCc2cccn2C)[C@@H]1O 2356849412 PWDOMGMXBCJEEM-DEPCRRQNSA-N 372.469 0.537 0 1 FCAF CCCCCOC(=O)Nc1nc(=O)n([C@H]2O[C@H](C)[C@@H](O)[C@@H]2O)cc1F 11616163 GAGWJHPBXLXJQN-GOONRYMUSA-N 359.354 0.760 0 1 FCAF O[C@@H](c1nc2ccccc2[nH]1)[C@@H](O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 13144609 UGRBLAMMQLLLQF-CAOSSQGBSA-N 354.366 0.928 0 1 FCAF CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@H]1c1nc(Cc2ccccc2)no1 26296791 GUXLJMOGJPRATK-NILFDRSVSA-N 358.354 0.532 0 1 FCAF COC[C@@]1(C)O[C@](C)(n2ccc(=O)[nH]c2=O)[C@](C)(CN=[N+]=[N-])[C@]1(C)O 96025045 LDFUPTMURACPGP-KBXIAJHMSA-N 353.379 0.712 0 1 FCAF Cc1ccc(CN2C(=O)[C@@H]3C[C@H](O)CN3C3(CN(C4CCCC4)C3)C2=O)o1 2356316739 LMWOBZJSGMHJFQ-RDJZCZTQSA-N 373.453 0.889 0 1 FCAF CO[C@H](C=C[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@@H](O)[C@@H]1CC=CC(=O)O1 2356739009 STNNWPKHRBGYMO-SDXJRTHESA-N 356.371 0.674 0 1 FCAF CCO[P@]1(=O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O1 3954454 TXRXEHHGCBJORG-LIALMNIGSA-N 357.263 0.227 0 3 FCAF COC(=O)NCc1ccc(O[C@@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1 14443995 RHLFBIFJRZNCRZ-LXPRAGIYSA-N 369.370 0.320 0 1 FCAF endogenous,in-man Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)NCCC(=O)NCc1ccccc1 29337592 FZJVCIMNXKRXGN-BQYQJAHWSA-N 356.382 0.208 0 1 FCAF Cc1cn(C/C=C/Cn2c(=O)n3c4c(cccc42)C[C@H](N)C3)c(=O)[nH]c1=O 66263261 RAQGAPLVLNFHCE-HSWBROFVSA-N 367.409 0.101 0 1 FCAF O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N1CCO[C@H]1C2 95596781 LMZUWHBQCCDIAF-ZDUSSCGKSA-N 373.340 0.435 0 1 FCAF C[C@H](CO)[C@@H]1C[C@H]2[C@@]3(O)[C@H]4O[C@](O)(C[C@]2(C)[C@@]2(O)CC[C@@](C)(O)[C@H]42)[C@@]13C 104364600 SHKTYUCWKCFSRV-UJSZAUJQSA-N 368.470 0.391 0 1 FCAF in-man CC=C1C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@](C)(O)[C@H](C)[C@@H]1O)[C@H]23 2356774860 FAFYHPIEFKLDSP-MIEGDJPQSA-N 353.415 0.244 0 1 FCAF CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2snnc2C)C1 61903756 SYKSDWPKWKZDKA-ZDUSSCGKSA-N 360.461 0.555 0 3 FCAF COC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 199225752 HSBAHKYRTQBOFH-BPLDGKMQSA-N 355.412 0.521 0 3 FCAF C[C@@H]1[C@@H](O)[C@H](O)[C@@]2(CO)C(CO)=CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1 85929429 YUFGJYIDPLWPAF-JKGCQIBESA-N 366.454 0.935 0 1 FCAF OC[C@H]1N[C@H]([C@H](O)CCC[C@@H]2CCC[C@@]3(CCCCO3)O2)[C@@H](O)[C@@H]1O 238783383 LIWCKHSHUMELES-DMUYQFPZSA-N 359.463 0.038 0 1 FCAF COc1cc2c3c(c1)O[C@H](c1nc4c(c(O)nc(=O)n4C)n1C)[C@@H](C2)C3=O 587432959 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FCAF O=C(C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CC1 95797216 PPIWCRMZBWEMRU-OAGGEKHMSA-N 354.447 0.354 0 1 FCAF CCN1[C@@H]2c3ccc(-c4cncnc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC 95879650 DWAVFAPHRXJSEG-TXCZRRACSA-N 370.409 0.462 0 1 FCAF COC[C@@]1(C)O[C@@](C)(n2cnc3c(=O)[nH]c(=N)[nH]c32)C(C)(C)[C@@]1(C)N 102181366 BALFITKOHCUPNH-BZUAXINKSA-N 350.423 0.384 0 1 FCAF CC1=C(c2ccc3nc([C@@H](N)CP(=O)(O)O)[nH]c3c2)NNC(=O)C1 586920457 RKZJYGZWVWNKCE-VIFPVBQESA-N 351.303 0.496 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(Cl)ccnc2[nH]1 587222805 ZZHCGIJQXYXZJX-JGVFFNPUSA-N 369.765 0.435 0 1 FCAF Cc1c(F)ccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 587223069 VJALCEGBTHHVCA-KOLCDFICSA-N 366.349 0.835 0 1 FCAF N=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]n1C(=O)Nc1cccnc1 1857555424 WHUSQZCEBJQRDR-UHFFFAOYSA-N 374.386 0.557 0 1 FCAF CC(=O)OC[C@H]1O[C@@H](OCCc2ccccc2)[C@@H](OC(C)=O)[C@H](O)[C@H]1O 2356523858 HSXZFKWYUYQDQF-MDMSPXHWSA-N 368.382 0.187 0 1 FCAF CO[C@@]1(C(=O)O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)C1 13760872 TXTXAIQLDFNNFM-YKTSSCPESA-N 352.339 0.303 0 1 FCAF CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1 14587815 UJRMJTIXXKZFGB-GQFVLOQASA-N 374.474 0.469 0 1 FCAF endogenous,in-man C#CCO[C@@H]1C[C@@H]2C(=O)N3CCN(C(=O)c4cccs4)C[C@@H]3C(=O)N2C1 36364817 GHSADVBFNAVZAR-MGPQQGTHSA-N 373.434 0.034 0 1 FCAF biogenic O=C(NCCc1ccccn1)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl 71334765 XFSHMKLYZXTECN-UHFFFAOYSA-N 371.784 0.942 0 1 FCAF C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](OC1=O)[C@@H](O)[C@@H]23 169402351 QBXXZMDYXQHARQ-TZCAYXSXSA-N 351.399 0.164 0 1 FCAF CCO[C@@H]1C=C[C@H](O)[C@@H](OC(C)=O)[C@]1(O)COC(=O)c1ccccc1 2356375130 RAQCBIPYAKMRKB-LHHMISFZSA-N 350.367 0.842 0 1 FCAF CC(=O)OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](OC(C)=O)[C@H](O)[C@H]1O 2356523859 HSXZFKWYUYQDQF-WKULXVSPSA-N 368.382 0.187 0 1 FCAF CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2c2nc(O)ncc2C[C@]3(O)[C@H]1C5 195279351 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COC(=O)[C@H](O)CS[C@@H]1C[C@H](O)[C@@H](O)CCCCC[C@H](C)OC1=O 2356734588 ZFDATSVNJAENKD-QSLWVIQJSA-N 364.460 0.630 0 1 FCAF CCOC(=O)N1CCN(c2cc(=O)n(-c3ccc(OC)cc3)c(=O)[nH]2)CC1 4003788 OFUKJESAMWCDRV-UHFFFAOYSA-N 374.397 0.813 0 3 FCAF COC(=O)[C@H]1C(=O)O[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)OC 5811041 HSGZNGIRVGXJAP-WOPDTQHZSA-N 368.338 0.889 0 1 FCAF COC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1 33755640 RASPLVISAYEZCJ-UEKVPHQBSA-N 363.395 0.029 0 1 FCAF CCC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO 95906907 DBGASRQPVRWBAG-ARFHVFGLSA-N 353.463 0.189 0 1 FCAF O=C1CC(=O)N(CCN2CCOCC2)C(=O)N1CCc1ccc(F)cc1 102827002 NOOQMHRATNYNHY-UHFFFAOYSA-N 363.389 0.881 0 1 FCAF COc1cc(C=c2nc(O)c(=Cc3ccccn3)nc2O)cc(OC)c1 253684884 GXBBKZVOYFFGOE-UHFFFAOYSA-N 351.362 0.958 0 1 FCAF CCOC(=O)[C@@H]1[C@@H](O)C(=O)N(C)C12CCN(C(=O)c1ccco1)CC2 299850609 CCNSUPHLCCAIDQ-QWHCGFSZSA-N 350.371 0.267 0 1 FCAF CN(C)c1ncnc2c1ncn2[C@H]1CN(Cc2ccncc2)C[C@@H](CO)O1 61896168 VVLMWMNIAWBNEL-LSDHHAIUSA-N 369.429 0.679 0 3 FCAF O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2C(=O)C2CCOCC2)O1)c1cccnc1 95797658 VOOZIXGGBCVCMC-BRWVUGGUSA-N 359.426 0.996 0 1 FCAF NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCOCC2)cc1Cl 169315745 RHBKOWDTSHSIAZ-UHFFFAOYSA-N 354.837 0.398 0 1 FCAF CC(=O)N1CCCN(c2cc(C(=O)N[C@@H]3CCN(C#N)C3)ccn2)CC1 1857535830 ZUYGZLCUQVYYHF-MRXNPFEDSA-N 356.430 0.425 0 1 FCAF COCCNC(=O)[C@@H]1CCC[C@H](NCc2nccn2C)CN(C)C(=O)C1 2356302216 OXEZCKWFHJWHEV-CABCVRRESA-N 365.478 0.290 0 1 FCAF CCC(=O)[C@@]12N[C@H]3C[C@]4(C(=O)N(OC)c5ccccc54)[C@@H](OC[C@H]31)[C@H]2O 2356474250 KCKQVEIIPULRFW-AOXQZJPRSA-N 358.394 0.302 0 1 FCAF O=C(NCc1ccccc1)[C@@H]1CN2CC[C@H]1C[C@H]2Cn1cc(CO)nn1 2356610508 NIWMRDRVLDRPEA-RYQLBKOJSA-N 355.442 0.797 0 1 FCAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@H](O)CO)nc2c1 586889129 LQOJJTRYUJZNHV-MWLCHTKSSA-N 359.176 0.889 0 1 FCAF CC(C)[C@H](NC(=O)[C@H](NC(=O)[C@H]1OC(=O)[C@H]1C(C)C)C(C)C)C(=O)O 2356624792 PDPYJYDVMZXUKQ-RNJOBUHISA-N 356.419 0.550 0 1 FCAF COC(=O)[C@]1(CCSC)N[C@@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 12495907 WDARWSXAQTXDTN-MEQWQQMJSA-N 352.412 0.820 0 1 FCAF O=C1N[C@@H]2CCN(C(=O)N3CCOCC3)[C@H]2C(=O)N1Cc1ccccc1 25411833 UPUCGWICDRUAGJ-HUUCEWRRSA-N 358.398 0.634 0 1 FCAF biogenic O=C(COc1ccc(Cl)cc1)N[C@@H](Cn1cncn1)CP(=O)(O)O 26171177 PFFFHJSPLQDPLU-NSHDSACASA-N 374.721 0.673 0 1 FCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@@H](O)[C@H](O)CO)N1 587830724 UJWHGAUUAGNGBG-UXCKDNFOSA-N 364.211 0.239 0 1 FCAF CC1=C2CC[C@@H]3[C@@H](O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1[C@@H](O)[C@H](O)C2(C)C)C[C@@]3(C)O 653687504 ZJWWLXHNYATLQZ-RNQVMNQXSA-N 368.470 0.088 0 1 FCAF COCCNC(=O)[C@H]1CCC[C@@H](NCc2nccn2C)CN(C)C(=O)C1 2356302218 OXEZCKWFHJWHEV-LSDHHAIUSA-N 365.478 0.290 0 1 FCAF CC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H]3CC=C(C)[C@H]2C3(C)C)O[C@H](CO)[C@H](O)[C@H]1O 2356691672 RVMGGXLVAQJVDV-ODGQQMINSA-N 356.415 0.365 0 1 FCAF CN(CC[C@@H]1CC[C@@H](O)[C@@H](C(=O)N2CCOCC2)O1)Cc1cccnc1 2356810259 AXUWKSHBSKAILD-KSZLIROESA-N 363.458 0.671 0 1 FCAF O=Cc1cccnc1N1CCN(CCCCN2C(=O)COCC2=O)CC1 27706753 VRWHAGFNMQIDTP-UHFFFAOYSA-N 360.414 0.182 0 1 FCAF CC[C@H](C)[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O 39796597 HNDWYLYAYNBWMP-XGUBFFRZSA-N 372.510 0.589 0 1 FCAF biogenic CC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1cnccn1)C2 95667979 YPFVGKZCPMTPIW-SJORKVTESA-N 352.394 0.678 0 1 FCAF O=C(C[C@@H]1CC[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCC(F)(F)F 95676562 KNGQQLYZZKCBQO-QJPTWQEYSA-N 352.353 0.880 0 1 FCAF O=C(c1ccccc1)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1 205260295 FZCXIQKUSIIMMV-YUAHOQAQSA-N 374.345 0.189 0 1 FCAF CCS(=O)(=O)NCCCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586943974 LNFSLXLHFTWBKP-UHFFFAOYSA-N 374.488 0.685 0 1 FCAF O=C(NC[C@@H]1O[C@H](CC(=O)N2CCCC2)[C@@H](O)[C@H]1O)Nc1ccccc1 2356858251 SXVNANSSGFCYQF-WTTBNOFXSA-N 363.414 0.310 0 1 FCAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@@H]1COc2ccccc2O1 13147464 HLMZWNBZCZZZRY-PKXXCRRUSA-N 368.389 0.750 0 1 FCAF C[C@@H]1NC(=O)[C@H]2C[C@H](NS(=O)(=O)c3ccc(Cl)cc3)CCN2C1=O 33760185 SEVQKVWRHHXCHP-UFGOTCBOSA-N 371.846 0.496 0 1 FCAF biogenic C[C@@H]1N[C@H](CNC(=O)[C@H](c2ccccc2)C2CCCC2)[C@@H](O)[C@H](O)[C@@H]1O 36417106 USPGDBVOHJFDBD-YFRSTRBHSA-N 362.470 0.520 0 1 FCAF in-vitro C[C@H]1CNc2c(NCc3ccoc3)c(=O)n(CCN3CCCC3=O)c(=O)n21 82210853 XFEJNGXIHVFYOR-LBPRGKRZSA-N 373.413 0.824 0 1 FCAF OC[C@@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5CC[C@@H]4C5)ncnc32)[C@@H](O)[C@@H]1O 100650256 YKPCEENRZZBDMC-WVOGVIQASA-N 361.402 0.038 0 1 FCAF Cc1ncc([C@@H](CNC(=O)[C@H]2COc3ncccc32)N2CCOCC2)cn1 213074663 VUNGWDMBWWWJRH-DLBZAZTESA-N 369.425 0.846 0 1 FCAF COC(=O)c1cn([C@@H]2CO[C@H]3[C@H]2OC[C@H]3NCC2CCCCC2)nn1 2356817460 DLCYSNHUGZVSFX-FPCVCCKLSA-N 350.419 0.942 0 1 FCAF CCCn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C 880917 IMOYKOBFLXQEDK-UHFFFAOYSA-N 365.459 0.558 0 3 FCAF NS(=O)(=O)Oc1ccc(C(=O)c2ccc(OS(N)(=O)=O)cc2)cc1 13444983 NKZRLSJYBCVOGN-UHFFFAOYSA-N 372.380 0.082 0 1 FCAF in-vivo Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Oc3ccccc3)O2)c(=O)[nH]c1=O 26000315 NDWHKZVNSPIXCQ-MJBXVCDLSA-N 361.354 0.282 0 1 FCAF C[C@H](CNC(=O)[C@H]1CCCN(C(=O)CCC2CCNCC2)C1)C(=O)O 26473564 NSKHJISEZNFHIJ-HIFRSBDPSA-N 353.463 0.842 0 1 FCAF COC(=O)Cn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)CCN2 82204486 NEAXQMOASYFBJV-UHFFFAOYSA-N 360.370 0.229 0 1 FCAF O=C(NC1CCCC1)N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO 95903467 XTCBEEUCKKSLMA-XHSDSOJGSA-N 367.446 0.162 0 1 FCAF O=S(=O)(c1ccc2nc(C[C@@H]3COCCO3)[nH]c2c1)N1CCOCC1 586911273 XFQLSSAIMUPCFN-GFCCVEGCSA-N 367.427 0.542 0 1 FCAF CNS(=O)(=O)N1CCC(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)CC1 586954863 AJFJMDVLNXXLRO-UHFFFAOYSA-N 372.472 0.610 0 1 FCAF CC(=O)N1C[C@H]2COCCN2C2(C1)CN(C(=O)CC(C)(C)CC(=O)O)C2 2356420575 GPNGXVVICGYJAP-AWEZNQCLSA-N 367.446 0.021 0 1 FCAF CO[C@@H]1C=C2[C@H]([C@@H]3OC(=O)[C@H](C)[C@@H]3[C@H](OC(C)=O)C[C@]2(C)O)[C@@]1(C)O 2356571623 WNYMTSMTYKPWJG-RVUHIOCPSA-N 354.399 0.573 0 1 FCAF O=C(C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@@H]1O)Nc1ccccc1 2356611342 SYNGCFPKQRJTNB-BURFUSLBSA-N 362.426 0.811 0 1 FCAF O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)C3CCCC3)C[C@@H]12 2356865267 WKGXSBZOKRYKMT-SJORKVTESA-N 371.437 0.663 0 1 FCAF Nc1ccn(C[C@@H](CO)C[C@H](c2ccccc2)P(=O)(O)O)c(=O)n1 1633690 OWAHBWHHUTWRNX-WCQYABFASA-N 353.315 0.743 0 1 FCAF Cc1nn(CC(=O)NCCN(C)C)c(=O)c2nn(-c3ccccc3)c(C)c12 20563006 TYGWSRWVLHSNID-UHFFFAOYSA-N 368.441 0.877 0 1 FCAF O=C(O)CC[C@H](N[P@](=O)(O)OCCNC(=O)c1ccccc1)C(=O)O 28876147 BBHOFRAKRKNSKD-NSHDSACASA-N 374.286 0.441 0 1 FCAF in-vitro COc1ccc(S(=O)(=O)NN2C(=O)C(=O)N=C2c2ccccn2)cc1 40379534 UAPYXTVXFHIQJI-UHFFFAOYSA-N 360.351 0.099 0 1 FCAF O=C(O)c1cn(C2CC2)c2nc(N3C[C@H](O)C[C@H]3CO)c(F)cc2c1=O 96903733 FJXNUOYLPBCKNU-VHSXEESVSA-N 363.345 0.501 0 1 FCAF C[C@H]1CC(=O)N(CCN2CCN(c3cccc4c3OCCO4)CC2)C1=O 100913854 FKNRPHHAFAKSAD-AWEZNQCLSA-N 359.426 0.975 0 1 FCAF CN1C(=O)NC(=O)[C@H]2[C@@H]1N=C(N1CCNCC1)N2CCCc1ccccc1 211129917 NAGQSFHQAMVTCR-HZPDHXFCSA-N 370.457 0.072 0 1 FCAF OC[C@H](O)[C@@H](O)c1nc2c(Br)cnc(Br)c2[nH]1 586888465 KJLPPGPMZYGUIK-MHTLYPKNSA-N 366.997 0.870 0 1 FCAF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 586937047 VPZKGZJYXOXDJH-UHFFFAOYSA-N 370.394 0.870 0 1 FCAF CC[C@H](C)C(=O)OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O 2356348949 NHVGUAJCULYBFP-AZQFOKQKSA-N 356.371 0.168 0 1 FCAF CC[C@H](C)[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@H](CCCCN)C(=O)O 2356706753 SDUBQHUJJWQTEU-DGAVXFQQSA-N 358.483 0.199 0 1 FCAF CC(C)CN[C@@H]1C[C@H](COc2ccc(S(C)(=O)=O)cc2)[C@H](O)[C@@H]1O 2356752262 HFYRCOSXQXJXGH-VDNDLQMASA-N 357.472 0.825 0 1 FCAF CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](NC(C)=O)[C@H]1OC(C)=O 255971669 FJEJQSQCOOUCJJ-LVZMMCSGSA-N 365.382 0.908 0 3 FCAF CN(C)Cc1cn([C@@H]2CO[C@@H]3[C@@H](NC(=O)C4CCCCC4)CO[C@H]32)nn1 25413562 QBFDDMSJZCUGQO-HZMVEIRTSA-N 363.462 0.744 0 1 FCAF biogenic O=C(O[C@@H]1CN2CCC1CC2)[C@@](O)(CN1CCNCC1)c1ccccc1 26837190 WOMHAQOLTVZVJK-UYAOXDASSA-N 359.470 0.417 0 1 FCAF O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1CCCN1CCN(CCO)CC1 28523839 AZOUFCCLNWXKJU-SFHVURJKSA-N 372.469 0.376 0 1 FCAF NC(=O)c1ccccc1OC[C@@H](O)CNCCNC(=O)c1cccs1 29219034 MLCSJUCHQPGNAK-LBPRGKRZSA-N 363.439 0.606 0 1 FCAF C[C@@H](O)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H]1COCC1=O 29571029 NKPSVGWTQPJOFL-OSQNNJELSA-N 362.407 0.465 0 1 FCAF Nc1nc(SC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 34282464 BKAKXUFKRFRPHG-IDTAVKCVSA-N 367.431 0.055 0 1 FCAF CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCCN2CCOCC2)cc1 82232691 ZIHAISPQNUIXCC-IBGZPJMESA-N 360.458 0.942 0 1 FCAF C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C 95850367 PFQPPSPXSKCUPO-IIAWOOMASA-N 353.467 0.364 0 1 FCAF Nc1ncccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 218920482 PCIUJRRRPLGHOX-MRXNPFEDSA-N 356.426 0.578 0 1 FCAF CNC(=O)[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)C[C@@H]2N1C 299843647 VSHNICWGVAZUGB-GLQYFDAESA-N 353.444 0.134 0 1 FCAF CC1(C)S[C@H]([C@H](NC(=O)[C@H](O)c2ccccc2)C(=O)O)N[C@H]1C(=O)O 299851236 BWTFYDWYANZTFC-SRRSOLGSSA-N 368.411 0.184 0 1 FCAF CCCCc1cc2c(O)nc(O)nc2nc1CC(=O)N[C@H]1CCOC1=O 587553288 GHGCVMMPGDRTTL-NSHDSACASA-N 360.370 0.753 0 1 FCAF COC1CCN(C(=O)c2cnn(-c3nc(=O)c4cccn4[nH]3)c2C)CC1 1857577117 ALFRIZNFLZQBHO-UHFFFAOYSA-N 356.386 0.768 0 1 FCAF O=C(O)c1ccc(CN[C@@H]2CO[C@@H](CNC(=O)c3ccncc3)[C@H]2O)cc1 2356605793 RPMUFUKSGALZGZ-IKGGRYGDSA-N 371.393 0.428 0 1 FCAF CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccncc2)O1 95887208 MKIQWJGRPCGZSV-FJIDUMEYSA-N 363.458 0.717 0 1 FCAF CCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccc(OC)cc2)O[C@@H]1CO 95908174 XXVQYUMJVNBNLA-BRWVUGGUSA-N 362.426 0.912 0 1 FCAF OCc1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1 96903713 RDUAOWPPYDZOPB-GFEQUFNTSA-N 362.378 0.025 0 1 FCAF O=C(O)COCC(=O)N1C[C@@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356575250 GJVGPQMJAPLTKB-ZWNOBZJWSA-N 369.324 0.869 0 1 FCAF CO[C@@H]1[C@H](O)C2=CCN3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@H]1OC(C)=O)OCO5 2356783928 MOWAHCOFZKJVJP-UURKPOQGSA-N 359.378 0.944 0 1 FCAF CC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 20533059 LFGGJUZKMJECQN-MRXNPFEDSA-N 372.535 0.449 0 1 FCAF CN1C(=O)[C@H]2[C@@H](N=C(N3CC[C@@H](N)C3)N2Cc2ccccc2)N(C)C1=O 169362279 PATUVNYIKBJGHW-KFWWJZLASA-N 356.430 0.110 0 1 FCAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2CCN(C)CC2)nc1 199935119 BZQFZTHARADDSF-UHFFFAOYSA-N 364.475 0.985 0 1 FCAF CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](n2cc(CO)nn2)[C@H]1NC(C)=O 1857567449 IPVDZUUVRPUAMB-ARFHVFGLSA-N 366.418 0.805 0 1 FCAF Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(CC2CC2)c1=O 1857769257 AXMXMMJXTSJFHK-UHFFFAOYSA-N 363.439 0.941 0 1 FCAF COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](N3CCCC3)[C@@H]2O)cc1 2356867437 WRVDWZMEVXAYOZ-UUAJXVIYSA-N 363.414 0.766 0 1 FCAF COCCN1CCC[C@@](O)(CN2CCN(Cc3ccncc3)CC2)C1=O 67787447 PBCMPIXCYZJPEH-LJQANCHMSA-N 362.474 0.199 0 1 FCAF COC[C@@]1(C)O[C@](C)(n2cnc3c(N)nc(N)nc32)[C@](C)(OC)[C@@]1(C)O 95535518 MMQHHAFEMBHXRO-QXSJWSMHSA-N 366.422 0.255 0 1 FCAF CCCNC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1 95879223 UCDQZUSFXVPIHC-GUDXXQAFSA-N 359.426 0.275 0 1 FCAF COc1cc(OC)nc(NC(=O)NS(=O)(=O)[C@@H]2CCCCC2=O)n1 103215801 NTQQDAYOMPNEKE-SECBINFHSA-N 358.376 0.457 0 1 FCAF CCCC(=O)OC[C@]1(C)[C@@](C)(O)[C@H]2C[C@]3([C@H](C)CC[C@@]31O)[C@@H](O)C(=O)O2 238765128 RTKVHTYJGUYRQP-NFSHNGHUSA-N 370.442 0.924 0 1 FCAF COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@H](n3cccn3)[C@H]2O)cc1 2356294494 CCEYELZFSJYGEE-SUJAAXHWSA-N 360.370 0.739 0 1 FCAF CC(=O)CC[C@@H]1[C@H](C)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356559660 HQWAINIJVJHGRG-OKZCHTIRSA-N 374.474 0.613 0 1 FCAF Cc1ccccc1Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 12405306 KGMAOEUVEQWARN-LSCFUAHRSA-N 357.370 0.490 0 1 FCAF CCN1CCN(C2(C(=O)NCCC(=O)OC)Cc3ccccc3C2)CC1 19745940 VQLNVWPPGHCCSP-UHFFFAOYSA-N 359.470 0.841 0 1 FCAF O=C(Nc1nnc(S)s1)NS(=O)(=O)Nc1nnc(S)s1 28520751 BVRWIRQIPSEJPM-UHFFFAOYSA-N 371.476 0.445 0 1 FCAF Cc1ccc(O[C@@H]2C=C(C(=O)N[C@@H]3CCCNC3=O)C[C@H](O)[C@@H]2O)cc1C 33918548 AFZGDKBKTWVBCN-XDNAFOTISA-N 374.437 0.498 0 1 FCAF biogenic COC(=O)c1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@H](C)CN3)cc1 82211880 BZYHHFRKGYFVCO-LLVKDONJSA-N 373.413 0.354 0 1 FCAF Cc1c(C(=O)N2CCN3CCC[C@H]3C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857601076 KDXJRPTYKJFHPJ-ZDUSSCGKSA-N 367.413 0.437 0 1 FCAF Cc1cccc(OCC2(CNC(=O)c3cc(C)on3)C[C@H](O)[C@@H](O)C2)n1 2356301584 NDJNJMSAXNYNMD-GJZGRUSLSA-N 361.398 0.997 0 1 FCAF Cc1ccc(CN2C(=O)[C@H]3C[C@@H](O)CN3C3(CN(C4CCCC4)C3)C2=O)o1 2356316738 LMWOBZJSGMHJFQ-NVXWUHKLSA-N 373.453 0.889 0 1 FCAF O=C(NC[C@@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O)N1CCOCC1 2356321962 JFXHQOUYBPUBNM-RDBSUJKOSA-N 363.405 0.324 0 1 FCAF OC[C@@H]1O[C@@H](n2cnc3c(N[C@@H]4C[C@@H]5CC[C@H]4C5)ncnc32)[C@@H](O)[C@H]1O 36386947 YKPCEENRZZBDMC-KIACHCDBSA-N 361.402 0.038 0 1 FCAF CC1(C)C(=O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H]3[C@](O)(C[C@@H](O)[C@@]21O)C[C@@]4(C)O 39054340 YXUJMWMLIBHOHJ-YDCYHJRDSA-N 368.470 0.377 0 1 FCAF CC(C)(C)OC(=O)NC[C@H](OC(=O)[C@H](O)CO)c1ccc2c(c1)OCO2 84668430 PZHCJPZJNGXFPY-RISCZKNCSA-N 369.370 0.878 0 1 FCAF O=c1c2ncn([C@H]3CO[C@@H](CO)O3)c2nc2[nH]c(-c3ccccc3)cn12 101916410 ZFUCSQJYXCPOIJ-CHWSQXEVSA-N 353.338 0.903 0 1 FCAF CN(C(=O)CNC(=O)/C=C/c1ccccc1F)[C@H]1CCS(=O)(=O)C1 198017345 IJRDTRSZUVFLIN-YBJDMEARSA-N 354.403 0.601 0 1 FCAF Nc1ncnc2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc12 586942162 HNRJCRGNQDUXHI-UHFFFAOYSA-N 353.795 0.505 0 1 FCAF CN(Cc1nc2c(O)nc(N)nc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169368 CBSPREPVOPAQKA-UHFFFAOYSA-N 352.351 0.601 0 1 FCAF C[C@@H]1COCCN1c1nc(-c2cnc(=N)[nH]c2)nc2c1C[C@@H]1COCCN21 1857535398 QDNFQHRZXWGYKH-DGCLKSJQSA-N 369.429 0.333 0 1 FCAF N=c1ccc(-c2nc(N3CCOCC3)c3c(n2)N2CCOC[C@@H]2C3)c[nH]1 1857583454 QABQGNKUVHFGFL-ZDUSSCGKSA-N 354.414 0.549 0 1 FCAF COC(=O)[C@]1(O)C[C@H]2O[C@@H](COC(=O)C=Cc3ccccc3)[C@@H](O1)[C@@H]2O 2356459555 RBBBFXCGIKRNMO-YNDDDKNDSA-N 364.350 0.022 0 1 FCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(-n4ccnc4)nc23)N1 117835136 DHSVQYPPQPCZGC-YHYXMXQVSA-N 351.330 0.065 0 1 FCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@@H](O)[C@H](O)CO)N1 587829801 RDYGSNMRYVVLSB-YCRCJWDZSA-N 364.211 0.239 0 1 FCAF CCC(CC)O[C@@H]1C=C(S(C)(=O)=O)C[C@H](NC(=N)N)[C@H]1NC(C)=O 1857568843 QVLHKCMHJQQIEI-BFHYXJOUSA-N 360.480 0.249 0 1 FCAF OC[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@@H](N2CCOCC2)[C@H]1O 2356599132 OJZZOFBTOMSNDT-TWMKSMIVSA-N 356.850 0.251 0 1 FCAF COC(=O)[C@@H]1CN(C(=O)c2cccs2)CCN1C(=O)C1CCNCC1 4270701 CNNQBWYFLLXGFD-ZDUSSCGKSA-N 365.455 0.574 0 1 FCAF biogenic NCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccc(F)cc2)nn1 8298670 UXIIUROJLKAMMG-OLMNPRSZSA-N 372.448 0.903 0 1 FCAF biogenic Nc1cc(N2CCN3C[C@@H](CO)CC[C@H]3C2)nc2nc(-c3ccco3)nn12 13585773 NQHNXCOAFMEGDZ-STQMWFEESA-N 369.429 0.859 0 1 FCAF COc1cc2[nH]c(=O)n(CCN3CCOCC3)c(=O)c2cc1-c1cnco1 28340543 RDUJKVHWMHMDGI-UHFFFAOYSA-N 372.381 0.686 0 1 FCAF C[C@@H](CO)c1oc(=O)cc2c1[C@@H](O)[C@@H]1OC(=O)[C@@]3(C)CC[C@@H](O)[C@@]2(C)[C@H]13 85509001 AAQSIKNBTFWDTF-LTQMEMEPSA-N 364.394 0.743 0 1 FCAF biogenic,in-vitro CCS(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1 95903496 IXJDFDNJRKUFSR-KFWWJZLASA-N 362.492 0.531 0 1 FCAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cncnc3[nH]2)[C@H](C)O)cc1 586935053 JGVINGDTEJJCRS-ZANVPECISA-N 363.399 0.762 0 1 FCAF Cc1c(Oc2cnc(C(=O)N[C@H]3CCC[C@@H]3O)cn2)ccc2c1B(O)OC2 1772581302 YSTKHOAKVUUXNN-JSGCOSHPSA-N 369.186 0.438 0 1 FCAF CN1CCOC[C@@H]1c1nc(C(=O)NCCc2ccccc2)c(O)c(=O)n1C 14979350 GMLDZTNBPDTBBL-CQSZACIVSA-N 372.425 0.462 0 1 FCAF O=c1nc(OC(F)F)c(Br)cn1[C@H]1C[C@H](O)[C@@H](CO)O1 27313782 JOFAAXMXCKNKEL-RRKCRQDMSA-N 357.107 0.248 0 1 FCAF CCOP(=O)(OCC)[C@@H]1C[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@H]1CO 32068309 WXAYOHUTNOMJOM-TUAOUCFPSA-N 362.319 0.760 0 1 FCAF CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O 39829670 SDUBQHUJJWQTEU-XUXIUFHCSA-N 358.483 0.199 0 1 FCAF biogenic O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@H](CO)O2)cc1-c1ccc(Br)o1 40498297 SDIRBUIWZUCLRP-POZPLHJXSA-N 373.159 0.200 0 1 FCAF CNc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 103253257 SAFCDKMKHSHSHI-SCFUHWHPSA-N 356.382 0.752 0 1 FCAF N[C@@H](CC[P@](=O)(O)[C@H](O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O 147687529 DQSCBDQEXPEZEO-ONGXEEELSA-N 363.219 0.566 0 1 FCAF CCOC(=O)C(=O)Nc1ccccc(N(C)C(=O)C(=O)OCC)c1=O 169316487 REAMQDVOUKPBMG-UHFFFAOYSA-N 350.327 0.074 0 1 FCAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586939940 UVMHLXUKAKFJRW-RXMQYKEDSA-N 356.799 0.143 0 1 FCAF N[C@H](Cc1nc2cccc(Cl)c2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587217874 DYDUOMWUDWBYFX-SCZZXKLOSA-N 368.777 0.520 0 1 FCAF Cn1c(=O)c2c(nc3n2CCN(CCc2cccc(F)c2)C3)n(C)c1=O 1857564777 HVBUYIGVXXNFEK-UHFFFAOYSA-N 357.389 0.631 0 1 FCAF Cc1noc(C)c1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cc(Cl)cn2)[C@@H]1O 2356295396 HHNLGFUPCOAVLW-RYPNDVFKSA-N 354.794 0.957 0 1 FCAF COc1ccc(CN2C(=O)[C@@H]3C[C@H](O)CN3C3(CN(C(C)C)C3)C2=O)cc1 2356322010 NZBYJINSDZQPPF-RDJZCZTQSA-N 373.453 0.462 0 1 FCAF COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(C(=O)COC)CC[C@@]1(C)O 2356439169 GSEYVMBSPIWOFN-RCCFBDPRSA-N 350.415 0.489 0 1 FCAF C[C@@]1(CO)[C@H]2[C@H](O)C=C3[C@H]4OC[C@@]5(O)CC[C@]3(C[C@@H]45)[C@]2(C)CC[C@H]1O 2356688874 PLSJWYGUXJQOHV-VOZPVISRSA-N 350.455 0.993 0 1 FCAF C[C@H]1C[C@@H](C)C(=O)[C@@H]2[C@H](O)[C@H]3[C@@H](O)[C@@H]4O[C@]25C(=C1O)C(=O)O[C@]35C[C@@H]4C 2356715907 VUYKDEHGBXWVQB-OPJMJZDYSA-N 364.394 0.484 0 1 FCAF O=C(N[C@@H]1CNCCC[C@H]1O)c1ccc(OCCN2CCOCC2)cc1 15671982 UCGPOSQZUQVVDI-QZTJIDSGSA-N 363.458 0.240 0 1 FCAF biogenic NCC[C@@H](NC(=O)c1ccc(-c2ccccc2)o1)C(=O)N1CCNCC1 28384418 SLGNIZFLSOYIEL-OAHLLOKOSA-N 356.426 0.826 0 1 FCAF CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](C)CN2 82212505 RNJNNYXWHHLZPP-LBPRGKRZSA-N 373.413 0.805 0 1 FCAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2c2nc(N)ncc2C[C@]3(O)[C@H]1C5 169372071 KTEOARIYVZXCNX-QUSXHRHCSA-N 352.394 0.683 0 1 FCAF N=c1[nH]cc2nc(-c3nc(O)nc(O)c3I)nc-2[nH]1 587181887 GWSKTISOOMJGMK-UHFFFAOYSA-N 371.098 0.190 0 1 FCAF O[C@@H]1[C@@H](NCc2cncnc2)[C@H]2CO[C@@H](O2)[C@@H]1n1cnc2ccccc21 2356343879 WJVAQTFNEQUFDP-ILOCAZANSA-N 353.382 0.642 0 1 FCAF CC(C)(C)[C@@]1(O)NC(=O)[C@@H](CCC(N)=O)n2c1nc1ccccc1c2=O 2356784867 QLECHXLRCYDOPS-KZULUSFZSA-N 358.398 0.524 0 1 FCAF NCc1cn(C[C@@H]2C[C@H]3CCN2C[C@@H]3C(=O)Nc2cccc(O)c2)nn1 2356804119 AAYYIAQBQKUHEH-PVUWLOKVSA-N 356.430 0.792 0 1 FCAF O=C1CC[C@H](O)[C@@H]2C[C@H](O)[C@@H](O)C3(Oc4cccc5cccc(c45)O3)[C@@]12O 13398531 UIPPSUKFSIRQEH-KZQROQTASA-N 372.373 0.504 0 1 FCAF biogenic N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(F)c(F)cc2[nH]1)C(=O)O 587222757 UCVRCRHXGPSAPP-RKDXNWHRSA-N 370.312 0.145 0 1 FCAF C[C@H]1[C@H](O)[C@]23[C@@H](O)[C@@H]1C[C@H](O)[C@@H]2[C@@]12CCCC(C)(C)[C@@H]1[C@H](O)[C@@]3(O)OC2 2356443440 MCWLKBKDDXXISS-OKDPAVGVSA-N 368.470 0.247 0 1 FCAF O=C(O)[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O 49113051 GEASOSNSHDZQIK-OZTPJHRESA-N 363.374 0.275 0 1 FCAF c1ccc2c(c1)ncn2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1 73140968 LSOBSIWBWIZWFH-UHFFFAOYSA-N 367.413 0.884 0 1 FCAF CC(=O)O[C@H]1C=C[C@@H](OC(C)=O)[C@@H](O)[C@@]1(O)COC(=O)c1ccccc1 85881094 MMESXCQWMJEGBH-KYHPRHEASA-N 364.350 0.369 0 1 FCAF biogenic NCc1ccc(CC(=O)N[C@H]2Cc3cccc(C(=O)O)c3OB2O)cc1 198295022 UQSZAKABUXSMCF-HNNXBMFYSA-N 354.171 0.526 0 1 FCAF C[C@@H]1CC(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)=NO1 1857639395 FWVVVHCVMWBLSM-SECBINFHSA-N 355.372 0.891 0 1 FCAF O=C(NC[C@@H]1OC[C@@H](NCc2ccc(F)cc2)[C@H]1O)N1CCOCC1 2356454624 RDBGWJMZLAGRHA-OWCLPIDISA-N 353.394 0.085 0 1 FCAF CNS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2c[nH]nc2CC3)cc1 14945778 MTIKFQKFTRIHCE-UHFFFAOYSA-N 372.410 0.368 0 1 FCAF O=C(OCn1ccc(=O)[nH]c1=O)c1ccc(I)cc1 29566266 RDNHPCCWPUQVGM-UHFFFAOYSA-N 372.118 0.956 0 1 FCAF COCC(=O)N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(C4CCCC4)n3)CO[C@H]12 36368792 ULSGVMQTSCFLFT-YALNPMBYSA-N 362.430 0.844 0 1 FCAF biogenic Cc1c(N2CC[C@H]([C@@H](C)N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 40937115 SMONLCFJGCJROJ-MNOVXSKESA-N 361.421 0.833 0 1 FCAF C[C@@H]1C[C@H]1COc1nc(N)c2ncn([C@@H]3O[C@H](CF)[C@@H](O)[C@H]3O)c2n1 73223041 YCQVVJDIRKJRDL-RZBSXSLJSA-N 353.354 0.032 0 1 FCAF CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1C(=O)C1CC1 95794320 OIDVIMIQSLWKMB-UTJXIGIESA-N 359.426 0.275 0 1 FCAF O=C(Cc1ccncc1)NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1 95904385 DKJDFTZDOJIVOW-BBWFWOEESA-N 361.442 0.565 0 1 FCAF OCCn1cc(-c2cnc3nnn(Cc4n[nH]c5ncccc45)c3n2)cn1 149784923 CJPJJYCEWORKFB-UHFFFAOYSA-N 362.357 0.397 0 1 FCAF Cc1cc2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2cc1C 587218972 JHAPURNHHCLRCE-WDEREUQCSA-N 362.386 0.484 0 1 FCAF COC1=C[C@H](O)[C@@H]2C(=O)O[C@@H](C)C[C@H]3CC(=O)[C@@H](O)[C@H](CC=CC2=C1)O3 1857743409 KIBJDJJXGWIFNI-VAAJLJKBSA-N 364.394 0.803 0 1 FCAF CN1C(=O)[C@H]2C[C@H](O)CN2C2(CN(Cc3c[nH]c4ccccc34)C2)C1=O 2356290119 JVBFVSDOQUWSHB-XJKSGUPXSA-N 354.410 0.156 0 1 FCAF C[C@H]1C[C@@]23OC(=O)[C@H]4C(=O)CC[C@@H](C)C(=O)C[C@H]4[C@@H]2[C@@H](O)[C@]1(C)OC3=O 2356378014 SSTZMQDHQKBAOO-VZUUJXLCSA-N 364.394 0.805 0 1 FCAF CC(=O)c1ccc(NC(=O)N[C@@H]2CCN3C(=O)[C@H]4CCCN4C(=O)[C@@H]23)cc1 25169915 ZCRHAEOTAHSKIE-BZUAXINKSA-N 370.409 0.985 0 1 FCAF biogenic C=CCN1C(=O)[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN2C1=O 25433751 WYCRVVVFBSQRDV-CYBMUJFWSA-N 353.375 0.649 0 1 FCAF biogenic CCSC[S@@](=O)C[C@H](C)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O 26156691 CIOPNRONTBCAKE-SBVIXBPFSA-N 359.473 0.349 0 1 FCAF C[C@@](O)(/C=C/[C@H]1CC=CC(=O)O1)[C@H](O)C[C@@H](O)/C=C\C=C/C=C/CO 33955282 KTHVJFIZRQNFEZ-DSWNLJKISA-N 350.411 0.938 0 1 FCAF O=C1c2cc3c(cc2OCN1CCn1ccnn1)C(=O)N1CCC[C@H]1O3 72175215 QBEIZPBKIUOKAQ-OAHLLOKOSA-N 355.354 0.725 0 1 FCAF C[C@@H]1CCCC[C@@H]1NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO 95605620 IQSMQTRKLQJGGS-JWXAEQQXSA-N 358.523 0.474 0 1 FCAF CCOC(=O)[C@H](c1ccc2c(O)nc(O)nc2n1)[C@@H]1CCS(=O)(=O)C1 587562908 MSCKYWRMYUUJSV-KCJUWKMLSA-N 367.383 0.517 0 1 FCAF CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@H](c1cscn1)N2CCOC 618013167 LBVDJODHPCGCHT-AVGNSLFASA-N 353.448 0.740 0 1 FCAF COC(=O)c1ccc(-n2cc(-c3c(O)nc(O)nc3C(=O)O)nn2)cc1 1772651941 DXTSDJQIDHIQHG-UHFFFAOYSA-N 357.282 0.620 0 1 FCAF Cc1c(C(=O)N2C[C@@H]3CC(=O)C[C@H]3C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857597550 ASASLSRWHUJQOQ-RYUDHWBXSA-N 366.381 0.568 0 1 FCAF CC(C)NC(=O)NC[C@@H]1O[C@@H](Cc2cc(CN(C)C)on2)CC[C@H]1O 2356319257 RCLLALKLADYINK-BMFZPTHFSA-N 354.451 0.895 0 1 FCAF C[C@@H]1CC[C@]2(O)[C@@H]1C[C@H]([C@@](C)(O)COS(=O)(=O)O)CC[C@]2(C)O 2356678189 WGZJGSMZQTWTSO-JNWWKETESA-N 352.449 0.885 0 1 FCAF C[C@H](N)C(=O)N[C@@H]1CC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O 28388465 HRYYDNAJRUXAJE-HNKHHVNMSA-N 358.442 0.288 0 1 FCAF C[C@H](NS(C)(=O)=O)C(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1 82127133 VNJMYTWWXCQPJD-NSHDSACASA-N 354.407 0.908 0 1 FCAF COC(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2F)[C@@H](CO)O1 95677664 OBZPPVVKYJWSJI-KGYLQXTDSA-N 361.391 0.576 0 1 FCAF CNC(=O)[C@H](c1ccccc1F)N1CCC[C@@H]1C(=O)NCCN(C)C 2356307036 WJWCFWKQRMKVRO-CVEARBPZSA-N 350.438 0.755 0 1 FCAF C[C@]1([C@H](O)CO)CC[C@@H]2[C@]3(C)CC[C@H](O)[C@](C)(CO)[C@@H]3C[C@@H](O)[C@@]2(O)C1 2356635308 WDRRSJQZCVZNOS-FADZQZOTSA-N 372.502 0.418 0 1 FCAF CS(=O)(=O)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2Nc1nccc(-c2ccco2)n1 2356831862 JSKGJBRYQQIGJQ-OXHZDVMGSA-N 366.399 0.233 0 1 FCAF O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@@H](NCc3ccccc3)CN21)NC1CC1 2356876455 ZKSCWYJOJQFWTH-KURKYZTESA-N 356.470 0.776 0 1 FCAF CS(=O)(=O)N[C@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@@H]2C1 15709379 PVJJEVNNZRLRAO-CABZTGNLSA-N 357.819 0.815 0 1 FCAF biogenic O=C(OCn1ncc2c(=O)[nH]cnc21)c1cccc(CN2CCOCC2)c1 26499826 NPBZYWHKNPFNOQ-UHFFFAOYSA-N 369.381 0.766 0 1 FCAF Cc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1N1C(N)=NC(N)=NC1(C)C 29464677 ZNHNOZSJEWWRCU-UHFFFAOYSA-N 370.465 0.366 0 1 FCAF NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cn1 98209165 IQSPZQMMEJIGTG-UHFFFAOYSA-N 374.375 0.379 0 1 FCAF in-vitro Cc1nccn1[C@@H]1[C@H]2OC[C@@H](O2)[C@H](NC(=O)NCc2ccccc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n2c(=O)n(-c3ccccc3)c(=O)n2C1 1859955 IGGRILKUTIKDAR-HNNXBMFYSA-N 356.382 0.327 0 1 FCAF Nc1ncnc2c1ncn2CCCCO[P@@](=O)(O)OP(=O)(O)O 43068586 GQSANSQYSLCCTA-UHFFFAOYSA-N 367.195 0.415 0 1 FCAF CN(C)CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO 95903480 LVRYKZWFXWGZBN-BZUAXINKSA-N 355.479 0.269 0 1 FCAF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCO[C@H]1C[C@@H]2CC[C@@H]1C2 102824575 FOTVFAVEZDZRSD-NPAXRPIGSA-N 357.491 0.511 0 1 FCAF C[C@H](Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)N(C)C 587191840 OAEAFWDQCCZNCX-CQSZACIVSA-N 359.474 0.806 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(O)cc2[nH]1 587220044 MJHAXJFMWXGMFA-SCZZXKLOSA-N 350.331 0.093 0 1 FCAF COc1c(O)cc2c(c1OC)C(=O)O[C@@]21[C@H](O)[C@@H](O)C=C2CCN(C)[C@H]21 2356419987 LDKRJBWKYCDFHG-PLDPNSPWSA-N 363.366 0.141 0 1 FCAF C[C@@H]1[C@H]2C[C@H](O)[C@@H]3[C@@]45CCCC(C)(C)[C@@H]4[C@H](O)[C@@](O)(OC5)[C@@]3([C@@H]1O)[C@@H]2O 2356443441 MCWLKBKDDXXISS-QJSIWEFHSA-N 368.470 0.247 0 1 FCAF CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NC[C@@H](N)C(=O)c1ccccc1 38142992 SVFXGCVMKPPMGU-QZTJIDSGSA-N 369.421 0.766 0 1 FCAF C[C@@]12CC[C@@]3(O)OC(=O)C=C3[C@H]1CC[C@@]13C[C@H](CC[C@@H]21)[C@@](O)(CO)[C@@H]3O 473125602 RJURQSBIWVKVRJ-AMSVYXALSA-N 364.438 0.869 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(O)cc2[nH]1 587220048 MJHAXJFMWXGMFA-WPRPVWTQSA-N 350.331 0.093 0 1 FCAF COC(=O)[C@H]1[C@H]2CC3=c4[nH]c5ccccc5c4=CCN3C[C@@H]2CC[C@H]1O 2356875182 HFJRBVGHYJNYRT-SRRFXAJZSA-N 352.434 0.952 0 1 FCAF CC1(C)O[C@@H]2CO[C@@]3([C@@H]4OC(C)(C)O[C@@H]4CO)OC(C)(C)O[C@@H]3[C@@H]2O1 5963795 TYRFSVLXABMDCR-LUGFEECPSA-N 360.403 0.897 0 1 FCAF C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)CCO)CC(=O)O1 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0.014 0 1 FCAF COC(=O)[C@@H]1C[C@@H](OC(=O)/C=C/c2ccccc2)CN1S(C)(=O)=O 40956544 OJGRQQLKVKUHGN-VRZZLATASA-N 353.396 0.819 0 1 FCAF OC[C@H]1O[C@@H](n2cc(F)c3c(-c4ccsc4)ncnc32)[C@H](O)[C@@H]1O 45288068 SETNXZWHVIMWGW-QGMIFYJMSA-N 351.359 0.910 0 1 FCAF O=C(C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCCc1cscn1 95869242 XQILYZOFHTVQAS-ILXRZTDVSA-N 365.455 0.403 0 1 FCAF O=C(O)c1cn(C[C@H](O)Cn2cncn2)c2c(F)cc(F)cc2c1=O 96909047 OZKIWTNYZQKZTI-VIFPVBQESA-N 350.281 0.631 0 1 FCAF O=C(NCc1ccncc1)c1cccn2c(=O)cc(N3CCOCC3)nc12 473130773 LNCZXHBOZLMQEQ-UHFFFAOYSA-N 365.393 0.856 0 1 FCAF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cccc(C(=O)O)c3[nH]2)c1 586935998 LTPNZSXTZCYCJO-UHFFFAOYSA-N 374.378 0.692 0 1 FCAF Cc1cc(F)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c1 587218644 HTUYSEZKRRLUHZ-NXEZZACHSA-N 366.349 0.835 0 1 FCAF NS(=O)(=O)C[C@@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2cccc(F)c21 962922038 OJTZIRSVHFLXEV-GZMMTYOYSA-N 356.297 0.471 0 1 FCAF CNCc1cn(C[C@H]2C[C@H]3CCN2C[C@H]3C(=O)Nc2nccs2)nn1 2356374187 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362.319 0.760 0 1 FCAF Nc1nc2c(ncn2CCN2CCOCC2)c2nc(-c3ccco3)nn12 28877469 IUKNUYWUAJOQQH-UHFFFAOYSA-N 354.374 0.648 0 1 FCAF CCS(=O)(=O)c1nnn2c1nc(N1CCOCC1)c1sccc12 95594052 ZZIUKOMHSYXQPF-UHFFFAOYSA-N 353.429 0.969 0 1 FCAF COCCNC(=O)C[C@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 95678213 LJTZBZLXVQJQJX-OWCLPIDISA-N 371.478 0.680 0 1 FCAF CCNC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1 95907610 XGMRPRNXRMHJTE-YUELXQCFSA-N 374.434 0.539 0 1 FCAF C[C@H]1CC(=O)[C@@H](O)[C@]2(C)[C@@H]3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C[C@H]12 238741490 PMCVJBCXJPEXCO-BXQLOKOFSA-N 350.411 0.726 0 1 FCAF CN(c1ncnc2[nH]ccc12)[C@@H]1CCN(S(=O)(=O)c2cn(C)cn2)C1 1857643223 QSPLTVKTHBHENB-LLVKDONJSA-N 361.431 0.591 0 1 FCAF COCc1cn(C[C@@H]2C[C@H](NC(=O)Nc3ccccc3)[C@@H](O)[C@@H]2O)nn1 2356395290 OETWATMIGSJMCC-DANNLKNASA-N 361.402 0.357 0 1 FCAF O=C(O)CCC(=O)N[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2n1nnnc1-c1ccccc1 2356855294 RBRQIMISOFIZLN-MPTQWLOMSA-N 373.369 0.028 0 1 FCAF CC(C)n1c(=O)n(N)c(=O)c2cc(F)c(N3CC[C@@H](N)C3)c(Cl)c21 28884332 GKVGMICZIRZYHZ-MRVPVSSYSA-N 355.801 0.788 0 1 FCAF COCCNC(=O)C[C@H]1CC[C@@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 95903464 ZLYKEDBTDDZFNH-RBSFLKMASA-N 357.451 0.289 0 1 FCAF O=C(O)C[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C\c2ccc(O)cc2)C1 95910216 GJZFYEMLDRKGMP-VTLVEOOWSA-N 352.339 0.039 0 1 FCAF biogenic,in-vitro CN(C)S(=O)(=O)c1ccc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)o1 586931380 SCJAWVZCOVGECQ-UHFFFAOYSA-N 370.412 0.721 0 1 FCAF CN(C)S(=O)(=O)c1cccc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c12 587255603 RRFLWDLVEMQZTA-UHFFFAOYSA-N 350.400 0.818 0 1 FCAF CC[C@]1(O)CN[C@H]2C[C@]3(C(=O)N(OC)c4ccccc43)[C@H]3OC[C@H]2[C@H]1[C@@H]3O 2356333812 WPBBGAHDYHELMX-DMHFKVSNSA-N 374.437 0.341 0 1 FCAF O=C(NCc1cccc(F)c1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2 95880336 JWMFZIXOKYLXBU-KNCCTNLNSA-N 357.385 0.555 0 1 FCAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1C(=O)CC 100142245 VUEPDZSWVCRMPE-SIVAMPAJSA-N 360.410 0.955 0 1 FCAF C[C@@H]1CN(c2cncnc2)CCN1c1nc(-c2ccncn2)cc(=O)n1C 114416432 SEBIUVSOPMKTJR-CYBMUJFWSA-N 364.413 0.742 0 1 FCAF COc1cc2c3c(c1)O[C@@H]([C@H](O)[C@H]1OC(C)(C)O[C@H]1CO)[C@@H](C2)C3=O 587448116 HTFJPCBWIDVLAE-SDLYDOBQSA-N 350.367 0.685 0 1 FCAF CN(C)CC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO 95907820 SFZNPDWWPXCWOM-YESZJQIVSA-N 369.506 0.659 0 1 FCAF C/C=C1/C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@@](C)(O)[C@H](C)[C@@H]1O)[C@H]23 238789244 FAFYHPIEFKLDSP-OTZUPMDKSA-N 353.415 0.244 0 1 FCAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3ncc[nH]c-3n2)[C@H](C)O)cc1 586938307 WIEPTEUNMVXYHL-JOYOIKCWSA-N 363.399 0.714 0 1 FCAF Cn1nc(-c2cnc(N)c(-n3nnc4ccccc43)n2)nc1C1(CO)CC1 1772583339 HDTQKIHKZOCWNY-UHFFFAOYSA-N 363.385 0.612 0 1 FCAF CN(C)S(=O)(=O)c1ccc(Cc2cn(C/C(F)=C/CN)nn2)cc1 1857602286 VHKFTSMXDWZTEO-QPEQYQDCSA-N 353.423 0.931 0 1 FCAF CC[C@@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)[C@@H]1O)[C@@H]23 2356558185 OCAOOBJUECMHHK-RGQLZVPWSA-N 353.415 0.244 0 1 FCAF CC1(C)CCC[C@]2(C)[C@H](C=C[C@](C)(O)[C@H](O)CO)[C@](C)(O)[C@H](O)[C@H](O)[C@H]12 2356732204 FWILCTKPZALIAU-XZWYZKRPSA-N 372.502 0.582 0 1 FCAF Cc1csc2nc(=O)c(C(=O)NCCCN3CCCC3=O)c(O)n12 103728865 QGIVPCPSCAUUGE-UHFFFAOYSA-N 350.400 0.512 0 3 FCAF O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)S2)cc1C(F)=C(Cl)Cl 27887504 MHRRXVDFIDEAGA-FSDSQADBSA-N 357.190 0.967 0 1 FCAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSC(F)(F)F)[C@H]2SC1 28090858 UNHRCAJQMBWKCH-HZGVNTEJSA-N 356.347 0.998 0 1 FCAF CC[C@H](OS(N)(=O)=O)[C@@]12OC[C@H]3OC(C)(C)O[C@H]3[C@@H]1OC(C)(C)O2 28763655 IQOAHRIVRZCJRD-TUYISWAISA-N 367.420 0.383 0 1 FCAF O=C(Cc1ccccc1)N[C@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO 95676254 IQQRIWPPTLHHIL-FGTMMUONSA-N 374.437 0.279 0 1 FCAF CC[C@@H]1CC[C@@H](CC)N1C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O 102153198 JYEFPZPGDOKWJK-GGUBGCTKSA-N 353.419 0.365 0 1 FCAF CS(=O)(=O)c1ccc([C@@H](O)[P@](=O)(O)CC[C@H](N)C(=O)O)cc1 143768313 OEKGPRKVGMSCTI-JQWIXIFHSA-N 351.317 0.153 0 1 FCAF CCCNC(=O)N[C@H]1CCC[C@H](C(=O)NCCOC)CC(=O)N(C)C1 2356733867 BYFDYBJQBJAECE-KBPBESRZSA-N 356.467 0.475 0 1 FCAF CSCC[C@@H](NC(=O)C1CCC(CNC(=O)[C@H](C)N)CC1)C(=O)O 8488567 AQQWHPZAHBODPW-YWPUVAFDSA-N 359.492 0.579 0 1 FCAF biogenic O[C@H]1O[C@H](CSc2ccc(I)cc2)[C@@H](O)[C@H]1O 49021700 CUCAMVFOUAOMBK-DBIOUOCHSA-N 368.192 0.822 0 1 FCAF O=C(O)c1ccc2cc(C(=O)N3CCN[C@H](C(=O)O)[C@@H]3C(=O)O)ccc2c1 73199905 GOFFUPQTVAPLMS-UONOGXRCSA-N 372.333 0.490 0 1 FCAF CCNC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 95906409 BFCNITPYXPLZBL-IMJJTQAJSA-N 370.471 0.708 0 1 FCAF O=S(=O)(NCc1nc2c(O)ncnc2[nH]1)c1ccc2c(c1)OCCO2 586941773 OARSDGUQVHZKKR-UHFFFAOYSA-N 363.355 0.308 0 1 FCAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587204263 ODVUROCFMZJEHA-LBPRGKRZSA-N 368.415 0.888 0 1 FCAF N=c1nn[nH]n1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660446 FAIWGVDPSLQCHM-UHFFFAOYSA-N 365.328 0.942 0 1 FCAF C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1c2cccc(Br)c2CCN1C 963270460 PGHCJKZWNCLDRL-FYIZZCSQSA-N 360.248 0.442 0 1 FCAF COCCOCC1(CNC(=O)c2ccc(OC)cc2)C[C@@H](O)[C@H](O)C1 2356301604 NWTKMODEYSXCJD-HZPDHXFCSA-N 353.415 0.590 0 1 FCAF O=C(N[C@@H]1CCN2C(=O)[C@@H]3[C@@H](OCC4CC4)CCN3C(=O)[C@@H]12)C1CCC1 2356317791 SPDPRZYXOLSLKZ-QXSJWSMHSA-N 361.442 0.282 0 1 FCAF CNC(=O)[C@H](c1ccccc1OC)N1CCC[C@H]1C(=O)N1CCN(C)CC1 2356408347 CUOJFRNMGDYXDA-WMZOPIPTSA-N 374.485 0.721 0 1 FCAF CN1CNC[C@]1(C)CC[C@H](NC(=O)c1cc(Br)c[nH]1)C(=O)O 2356816092 CXOQHFHYUNXFBI-HZMBPMFUSA-N 373.251 0.992 0 1 FCAF CCOC(=O)C1CCN(C(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)CC1 4564609 TZFKMLCBTWURFJ-MDBPOYHNSA-N 374.437 0.985 0 1 FCAF CCCC(CCC)Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 29398360 LWXHQIDTUVWZQE-SYEQVDHESA-N 365.434 0.819 0 1 FCAF C[C@H]1[C@H]2[C@H]3O[C@@]4(O)C[C@](C)([C@@H]5C[C@H]([C@@H](C)CO)[C@@]4(C)[C@@]53O)[C@@]2(O)C[C@H]1O 100781250 HQUSKUTUDDZKOD-RYLBPKMESA-N 368.470 0.247 0 1 FCAF endogenous,in-man O=C(O)CN(CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)Cc1ccccc1 146325080 ZCJIWRBKBPEIFF-AWEZNQCLSA-N 360.370 0.108 0 1 FCAF in-vitro N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(Cl)nc2[nH]1 587218327 HVYDFOWKRWJVTM-SVRRBLITSA-N 369.765 0.435 0 1 FCAF Cc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1F 587224085 YJHSKTOZJHGKHV-VHSXEESVSA-N 366.349 0.835 0 1 FCAF Cn1c(C(=O)O)ccc1[C@@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963224273 RVSMXBZVSKKGBV-CORIIIEPSA-N 369.381 0.294 0 1 FCAF Cc1c(Oc2cnc(C(=O)N[C@H](C)C(C)(C)O)cn2)ccc2c1B(O)OC2 1772570959 RFVNYCMAFLTDDY-LLVKDONJSA-N 371.202 0.684 0 1 FCAF Cn1ccnc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cnc3ccccc32)[C@@H]1O 2356315444 ZWYPEUPFEUDGDJ-LHKMKVQPSA-N 355.398 0.585 0 1 FCAF COc1ccc(C=CC(=O)O[C@@H]2[C@H](C)O[C@H](O)[C@H](O)[C@@H]2OC(C)=O)cc1 2356576302 VMSZXJQLNONAIB-RSRHVSAYSA-N 366.366 0.650 0 1 FCAF CN1CCN([C@@H]2[C@H](CNCc3cccc(Cl)c3)O[C@H](CO)[C@@H]2O)CC1 2356842271 MMKZGWQQYXUHEC-MLHJIOFPSA-N 369.893 0.166 0 1 FCAF CC(C)NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1cccs1 95602712 XCWPBUYYDAAHTB-OAHLLOKOSA-N 373.500 0.635 0 3 FCAF CCOC(=O)C1CCN(C(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)CC1 4564610 TZFKMLCBTWURFJ-FSDCSDTHSA-N 374.437 0.985 0 1 FCAF CCCS(=O)(=O)N[C@H]1C[C@@H](c2nc(-c3cncnc3)no2)N(C)C1 12530123 NMUYHLMVFQQEAG-RYUDHWBXSA-N 352.420 0.601 0 1 FCAF biogenic COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 45285019 RREXKDDYCRDSPM-HOCLYGCPSA-N 355.398 0.661 0 1 FCAF CO[C@@]12C[C@@H]3[C@@H](NC(=O)c4ccc(Br)n43)[C@@H]1NC(=O)N2C 49784460 UWPJTBJKXNLTOH-PZWLIILKSA-N 355.192 0.674 0 1 FCAF COC(=O)C1CC2(C(=O)OC)CC(C(=O)OC)CC(C(=O)OC)(C1)C2 68586317 FZACMYKAVBLRDR-UHFFFAOYSA-N 356.371 0.861 0 1 FCAF biogenic NS(=O)(=O)CCCC(=O)N1CCC2(CC1)c1ccccc1C[C@H]2O 72153605 WZIJKNGQTQMXQY-OAHLLOKOSA-N 352.456 0.533 0 1 FCAF CC(=O)OCC(COC(C)=O)OCn1cnc2c(=S)[nH]c(N)nc21 95547531 DRNOLAFSZXSWOW-UHFFFAOYSA-N 355.376 0.540 0 1 FCAF CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1 95885280 LKURNHMJNKZKIW-NXOAAHMSSA-N 368.474 0.839 0 1 FCAF COc1ccc([C@H](c2c(O)n[nH]c2C)C2C(=O)NC(=O)NC2=O)cc1OC 1857749597 VJHTYWZFXRSFDA-GFCCVEGCSA-N 374.353 0.555 0 1 FCAF CCCCCCNCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 2178319872 FOPQNMAFHAWCCY-ICBNADEASA-N 369.458 0.535 0 1 FCAF COCCNC(=S)NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCN(C)CC1 2356298335 ULTRDELSKQZNGY-ZACQAIPSSA-N 369.579 0.055 0 1 FCAF NC(=O)COc1ccc(C(=O)N[C@H]2CN(CC3CC3)CCC[C@@H]2O)cc1 2356852454 QPPKSVAIBUNRDR-IRXDYDNUSA-N 361.442 0.516 0 1 FCAF COc1cc2nc(C[C@H](N)C(=O)O)c(CP(=O)(O)O)nc2cc1OC 1533941 OEVYBHFBHAXOOH-ZETCQYMHSA-N 371.286 0.279 0 1 FCAF O=C1CC[C@H](O)[C@@H]2C[C@H](O)[C@H](O)C3(Oc4cccc5cccc(c45)O3)[C@@]12O 13398534 UIPPSUKFSIRQEH-JDNLJYLZSA-N 372.373 0.504 0 1 FCAF biogenic CCNS(=O)(=O)OC[C@@]12OC[C@H]3OC(C)(C)O[C@H]3[C@@H]1OC(C)(C)O2 28765002 LVTZZGBETXORNH-PUHVVEEASA-N 367.420 0.255 0 1 FCAF COC(=O)C1=CO[C@@H](OC(C)=O)[C@@H]2C(COC(C)=O)=C[C@@H](OC(C)=O)[C@H]12 238730916 CNYKDWSMWFETDQ-AIANPOQGSA-N 368.338 0.630 0 1 FCAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@@H](O)[C@H](O)CO)N1 587830725 UJWHGAUUAGNGBG-VASMBCPYSA-N 364.211 0.239 0 1 FCAF CCCC[C@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1)C(=O)C(N)=O 1857557626 LFXDTERONWZVMW-LSDHHAIUSA-N 359.426 0.907 0 1 FCAF OC[C@H]1O[C@@H](n2cnc3c(NCCc4ccccc4)ncnc32)[C@H](O)[C@H]1O 4475331 LGZYEDZSPHLISU-MJXUCMMTSA-N 371.397 0.092 0 1 FCAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@@H](NCc4cccc(C#N)c4)CO[C@@H]32)nn1 36369268 ATOIBUNZWPNKJJ-YLFCFFPRSA-N 369.381 0.433 0 1 FCAF biogenic O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1OCCN1CCN(c2ncccn2)CC1 101023852 BKUHRNRFWGGTNN-YHUYYLMFSA-N 369.425 0.337 0 1 FCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNCc3ccncc3F)[C@@H](O)[C@@H]2O1)NC1CC1 2356621006 LGPJBBJIJHIQHO-KATVLWTNSA-N 365.405 0.265 0 1 FCAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H](CO)O[C@H](O)CO 27106137 WTCTUIPTUFBMRK-YUELXQCFSA-N 373.413 0.688 0 1 FCAF CC[C@H](C)[C@H](NC(=O)[C@@H]1O[C@H]1NCC(C)C)C(=O)N1CCC[C@@H]1C(=O)O 70719355 OCZXKCAOQZRBLU-HCZIRCDUSA-N 369.462 0.563 0 1 FCAF C[C@@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(CCN)c(=O)n21 82211866 YDWIAFBIHANABB-SNVBAGLBSA-N 359.386 0.266 0 1 FCAF CCNC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 95906550 SRPGMYIGJWTTHA-NUEKZKHPSA-N 368.455 0.484 0 1 FCAF O=C(Nc1ccccc1)[C@H](Cc1cscn1)NC(=O)[C@H]1O[C@@H]1C(=O)O 96917580 SLAUAVANSQIASN-AVGNSLFASA-N 361.379 0.661 0 1 FCAF CC[C@H](C)[C@@H](C(=O)OC)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1 103188770 IPFLGPAKNSFGLL-QWRGUYRKSA-N 360.436 0.949 0 1 FCAF O=C(N[C@@H]1CCN2C(=O)[C@@H]3[C@H](OCC4CC4)CCN3C(=O)[C@H]12)C1CCC1 2356317793 SPDPRZYXOLSLKZ-WCVJEAGWSA-N 361.442 0.282 0 1 FCAF C[C@H](OCc1ccccc1)C(=O)N1CCS(=O)(=O)N2CCC[C@H]2C1=O 1629634 ZCYWSHFVUILJAE-ZFWWWQNUSA-N 366.439 0.755 0 1 FCAF CCOC(=S)NCc1ccc(O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 14444121 JOSHUAQJVMGTGS-NSAPBPOKSA-N 357.428 0.304 0 1 FCAF endogenous,in-man N=C(N)NCCC[C@@H](NC(=O)c1ccc(-c2cccc(CO)c2)o1)C(=O)O 28707122 PSZBFXBOTCEAMC-CYBMUJFWSA-N 374.397 0.885 0 1 FCAF COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O)[C@@H]2OC(C)=O)cc1 38621137 IYUGFXZFXCANKO-JPTGQVTKSA-N 366.366 0.650 0 1 FCAF C[C@@H](C(=O)O)c1cs/c(=N/C(=O)CS(=O)(=O)c2ccccc2)n1O 40980279 HYOCAVUKZVJHHL-ASLCJXLESA-N 370.408 0.876 0 1 FCAF COC(=O)Cn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@H](C)CN2 82211277 LZLRJZILQVJMRK-SNVBAGLBSA-N 362.361 0.921 0 1 FCAF COC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2F)[C@H](CO)O1 95677665 OBZPPVVKYJWSJI-RTXFEEFZSA-N 361.391 0.576 0 1 FCAF CC(C)C[C@H](CO)NC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@H]1O2 101974165 YLFMGINTBAGZCH-VQHPVUNQSA-N 362.426 0.662 0 1 FCAF CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)N1CCOCC1 103228763 PAKTZDPTWXBKQB-FICVDOATSA-N 354.451 0.485 0 1 FCAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2c1 586931805 FIHOKJIBOBOMCB-UHFFFAOYSA-N 369.428 0.456 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cccc(F)c2[nH]1)C(=O)O 587222282 SIWDYNSRLVIGIG-PSASIEDQSA-N 352.322 0.006 0 1 FCAF NS(=O)(=O)c1ccc(C(=O)n2nc(O)c3cc(F)ccc3c2=O)cc1 1857546070 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COc1cccc(C(=O)NCC2(COc3cnccn3)C[C@H](O)[C@@H](O)C2)c1 2356615826 MYRNPUICOFMKKE-HOTGVXAUSA-N 373.409 0.796 0 1 FCAF O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@@H](NC(=O)c3ccco3)CN21)NC1CC1 2356834316 KATWGLHKZZWCRG-MCIONIFRSA-N 360.414 0.010 0 1 FCAF C[C@@H]1COc2cc(NCCCN3CCOCC3)ccc2S(=O)(=O)N1 96021135 YUGJCLMPKFQGFX-CYBMUJFWSA-N 355.460 0.880 0 3 FCAF COCCCNC(=O)c1nc2n(Cc3cc(C)ccc3C)[nH]nc-2c(=O)n1 104210983 PCPVNFZADFLIMF-UHFFFAOYSA-N 370.413 0.898 0 3 FCAF OC[C@@H]1O[C@@H](n2cnc3c(NC(C4CC4)C4CC4)ncnc32)[C@@H](O)[C@@H]1O 29395291 RAVOWCMWQXNPDU-FSLVRNTJSA-N 361.402 0.038 0 1 FCAF O=C(O)/C=C(/C(=O)O)[C@]12CCN3CC4=CCO[C@@H]5CC(=O)N[C@@H]1[C@@H]5[C@@H]4C[C@@H]32 31946870 LBAWZETUMGOMOM-NTIVCMQDSA-N 374.393 0.006 0 1 FCAF O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1 35825708 JSIXTKHHAJBPQT-HZPDHXFCSA-N 360.435 0.671 0 1 FCAF CCOC(=O)Cn1sc(=O)n(-c2ccc(C(=O)OCC)cc2)c1=O 40392686 RYEDSDSDPDDTAL-UHFFFAOYSA-N 352.368 0.801 0 1 FCAF CCC(=O)N[C@H]1C=C[C@@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO 95906904 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CC(=O)N[C@H]1[C@@H](N)CC(C(=O)O)=C[C@H]1N[C@H](C)CCc1ccc(O)cc1 96902504 ZSJOXKCADXABSR-KJGCIYADSA-N 361.442 0.918 0 1 FCAF CN(C)c1ncnc2c1c(-c1ccco1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 103249522 KXFMCZKTBMVMOX-LSCFUAHRSA-N 360.370 0.369 0 1 FCAF O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@@H]1COc2ccccc2O1 104200928 HLMZWNBZCZZZRY-KIHUKQFUSA-N 368.389 0.750 0 1 FCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(NC(=O)C4CC4)nc23)N1 117821224 UBYVOQDIVWWYHS-WZUFQYTHSA-N 367.369 0.832 0 1 FCAF CN(C)c1nc2ccc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)cn2n1 205056393 RSUMDCKUCPVHLT-UHFFFAOYSA-N 368.401 0.627 0 1 FCAF CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc3ccccc3c2)[C@@H]1O 253917179 HYWXGAWINOSGGV-IMPIEMTGSA-N 363.435 0.740 0 1 FCAF Nc1nc2c(ncn2[C@H]2CC[C@H](CO)O2)c(=O)n1C(=O)c1ccccc1 8582214 YOXFWAONAZHRBJ-VXGBXAGGSA-N 355.354 0.534 0 1 FCAF in-vitro CCNC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2CCN(C(C)=O)CC2)C1 12481431 NZBYMNNHWPMACR-HOTGVXAUSA-N 368.478 0.683 0 1 FCAF biogenic 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CO[C@@H]1C=C2[C@@H]([C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](OC(C)=O)C[C@]2(C)O)[C@]1(C)O 238775277 WNYMTSMTYKPWJG-QWAVHFOZSA-N 354.399 0.573 0 1 FCAF CNC(=O)CN1C(=O)CN(C(=O)COC)CC[C@@H](OC)c2ccccc21 299852835 YDSBXQYFCTZVSA-OAHLLOKOSA-N 363.414 0.332 0 1 FCAF N[C@@H](Cc1nc2ccc(F)c(F)c2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587218830 IPKUNEBTFXODTG-IONNQARKSA-N 370.312 0.145 0 1 FCAF CCCNC(=O)N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@@H]1O 2356357211 QGKVHYGOALTJQK-RRCSTGOVSA-N 360.418 0.160 0 1 FCAF O=C1C=C[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@H]2[C@H](O)[C@@H](O)C3=O 14417446 YENSFTGZHXXZLK-GTAWCEEGSA-N 366.325 0.720 0 1 FCAF biogenic CC(C)NC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccco3)CN21 15707382 YPYWTKWPBNJLJV-MJBXVCDLSA-N 362.430 0.256 0 1 FCAF biogenic CN1CCN(CC(=O)NN2C(=O)c3cccc4cccc(c34)C2=O)CC1 31847730 ZMFRDLXFYYZBRG-UHFFFAOYSA-N 352.394 0.714 0 1 FCAF CC[C@@H](C)[C@@H](NC(=O)CN)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO 60038149 YIGMHPNVFMXYNW-QIIPPGSGSA-N 363.458 0.155 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(Cl)ccnc2[nH]1 587222802 ZZHCGIJQXYXZJX-HTQZYQBOSA-N 369.765 0.435 0 1 FCAF CN1CCC(N[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](n3cnc4ccccc43)[C@@H]2O)CC1 2356297291 RIHLWYANEXBGSH-FQBWVUSXSA-N 358.442 0.746 0 1 FCAF C[C@H](CC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)O 28769839 NIMLXPSSVMNDFV-VNQPRFMTSA-N 363.458 0.850 0 1 FCAF CC(C)O[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H]1OC(C)C 96904384 ZILVDJSDJUEGCF-SDBHATRESA-N 367.406 0.179 0 1 FCAF O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NC[C@H]1COc2ccccc2O1 100506921 QKAFBWKBUZXWJY-IHRRRGAJSA-N 356.378 0.894 0 1 FCAF CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)N1CCOCC1 101505707 PAKTZDPTWXBKQB-KBPBESRZSA-N 354.451 0.485 0 1 FCAF CNC(=O)[C@H](c1ccccc1OC)N1CCC[C@@H]1C(=O)NCCN(C)C 299843863 YSCHBPATGWGKCS-WBVHZDCISA-N 362.474 0.625 0 1 FCAF O=C(O)CNCCNCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587229338 VOZSKJXSKNCQOQ-UHFFFAOYSA-N 352.704 0.741 0 1 FCAF O=C(O)/C=C/C=C/c1nc2cc(C(=O)N3CCN(CCO)CC3)ccc2[nH]1 587967457 HUNBFDTUHTWANB-ZPUQHVIOSA-N 370.409 0.967 0 1 FCAF COCCc1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccn2)n1 2356317618 GUPBJMZAHPVHQO-WJFTUGDTSA-N 372.469 0.751 0 1 FCAF CC=C1C[C@H](CO)[C@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23 2356531406 XVKRSUITGOSAJK-FSZRXZPDSA-N 351.399 0.165 0 1 FCAF O=C1c2cc(O)cc(O)c2C(=O)c2c1cc(O)c([C@@H](CCO)C(=O)O)c2O 3813696 NSSMDOWGNWOYJY-SSDOTTSWSA-N 374.301 0.835 0 1 FCAF biogenic O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(C(=O)C3CCCC3)C[C@@H]12 4260024 NRZFVCDJMORVCV-SJORKVTESA-N 355.438 0.957 0 1 FCAF biogenic OC[C@H]1O[C@@H](n2cnc3c(-c4ccc(F)c(F)c4)ncnc32)[C@H](O)[C@@H]1O 34033826 OCNXOJSWAWGNJR-DSPGLSBSSA-N 364.308 0.383 0 1 FCAF COc1ccccc1CNC(=O)C[C@H]1CC[C@@H](NC(C)=O)[C@@H](CO)O1 95906647 AEKMALSEBJWOQY-BFYDXBDKSA-N 350.415 0.746 0 1 FCAF COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1C[C@H](C)CC(C)(C)C1 299844978 AUXRAHMZLFZBSE-NOHGZBONSA-N 372.418 0.204 0 1 FCAF CCN1C(=O)C2=C3CO[C@@](OC)([C@@H](O)CCCCC[C@]21[C@@H](C)O)[C@H]3O 1857742454 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C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@H](O)[C@@H](O)CO)N1 587834271 RDYGSNMRYVVLSB-QCDYRGJXSA-N 364.211 0.239 0 1 FCAF CC(=O)OC[C@H]1O[C@@H](OCC=C(C)[C@H](O)CC=C(C)C)[C@@H](O)[C@H](O)[C@H]1O 2356497357 LJCGTVANQJWUDP-LVZMMCSGSA-N 374.430 0.037 0 1 FCAF C[C@H](NC(=O)c1ccc(C(=N)N)cc1)C(=O)N1CCC(CC(=O)O)CC1 26185514 SEGRZSYSYDRTKB-NSHDSACASA-N 360.414 0.802 0 1 FCAF CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C 39798073 YQFZRHYZLARWDY-IHRRRGAJSA-N 358.483 0.199 0 1 FCAF biogenic CS[C@]12CC3=CC=C[C@H](O)[C@H]3N1C(=O)[C@@](CO)(SC)N(C)C2=O 42920748 OVBAGMZLGLXSBN-LWWSYDQCSA-N 356.469 0.027 0 1 FCAF biogenic,in-vitro COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@H]3[C@]41CO 101998588 KRVBAKCHGBGKIW-MPODNDFUSA-N 361.394 0.892 0 1 FCAF CN[C@@H]1C(=O)O[C@@](CCc2ccccc2)(C(=O)NC[C@@H]2CCCO2)C1=O 169718178 MENMBSIHWQIRQN-YZVOILCLSA-N 360.410 0.367 0 1 FCAF CN1C(=O)NC(=O)[C@@H]2[C@H]1N=C(N1CCNCC1)N2CCCc1ccccc1 211129870 NAGQSFHQAMVTCR-HOTGVXAUSA-N 370.457 0.072 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CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCCN3C(=O)CO)C(=O)O1 27421887 UDUUAYWYXAXYAN-HNNXBMFYSA-N 361.398 0.810 0 1 FCAF OC[C@@H](O)[C@@H](O)[C@H](O)c1[nH]c2ccc(F)c(Cl)c2c1N1CCOCC1 587632184 RTCDOIBWFFHBGE-UHNFBRDESA-N 374.796 0.545 0 1 FCAF CCOc1cc2c(c(OC)c1OCC)C(=O)N[C@@H]1[C@@H]2C[C@H](O)[C@@H](O)[C@@H]1O 1857602927 ALYAMWFSIYBVMS-QFWNWRTJSA-N 367.398 0.175 0 1 FCAF CC1=C[C@H]2O[C@@H]([C@@H]3[C@H](C(C)C)[C@H](O)[C@H](O)[C@](C)(O)[C@H]23)[C@@](C)(O)CC[C@@H]1O 2356317022 KPHNYICDDSOROS-YHHCQCAISA-N 370.486 0.597 0 1 FCAF O=S(=O)(NC[C@@H]1OC[C@@H](NCc2cccnc2)[C@H]1O)c1ccccc1 2356430143 HPYDFXNEYAGDMH-IXDOHACOSA-N 363.439 0.278 0 1 FCAF COC(=O)[C@H](CC(C)C)NS(=O)(=O)N[C@@H](CC(C)C)C(=O)OC 5481772 RXHNXSVRVODATI-RYUDHWBXSA-N 352.453 0.586 0 3 FCAF O=P(O)(O)C(O)(CCNCCCOc1ccccc1)P(=O)(O)O 13529702 KZFMRKCPGOONMR-UHFFFAOYSA-N 369.247 0.437 0 1 FCAF Cc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 13783300 OOEMZCZWZXHBKW-LJGDNWOOSA-N 371.397 0.358 0 1 FCAF biogenic 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CCOc1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@@H](C)CN3)cc1 82211863 ROCWJZPTNMMLAD-LBPRGKRZSA-N 359.430 0.966 0 1 FCAF COc1cc(/C=C/C(=O)O[C@@H]2C[C@]3(O)C[C@@H](OC3=O)[C@@H]2O)ccc1O 95617911 KFVJGWDDYWUTHM-AWOKGZDASA-N 350.323 0.137 0 1 FCAF endogenous,in-man CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1C(=O)C1CCC1 95884495 BHHDRXNUGFHOLE-UTJXIGIESA-N 359.426 0.227 0 1 FCAF O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2ccccc2C1 115072793 PRBZOPIWUPEVHS-UHFFFAOYSA-N 354.410 0.734 0 1 FCAF O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(CO)cccc21 140657184 VZOGIVAROUTZMP-UHFFFAOYSA-N 370.409 0.231 0 1 FCAF CN(C)S(=O)(=O)c1cccc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c12 587969877 AWRJCVRBZUWDLL-UWVGGRQHSA-N 353.356 0.312 0 1 FCAF Cn1ccc2c3c(-c4ccoc4)ncnc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c21 1857592965 RXRGGAVXQMWDRB-XKLVTHTNSA-N 370.365 0.795 0 1 FCAF OC[C@H]1O[C@@H](Oc2cc(O)cc(C=Cc3ccccc3)c2)[C@@H](O)[C@H](O)[C@H]1O 2356504906 JTFNQPOMLDMAEW-UJMXGEILSA-N 374.389 0.741 0 1 FCAF CC(=O)OCC1=C(C(=O)O)N2C(=O)/C(=C/C(C)(C)C)[C@H]2S(=O)(=O)C1 13740800 GGHHCDXUXTXKBM-OMPYUXFZSA-N 357.384 0.457 0 1 FCAF CC1=C(C(=O)OC(C)C)[C@H](C2=CC=C[C@H]3OC=NN23)N(C(N)=O)C(=O)N1 27891765 ZUYZSDKPUUBZIS-YPMHNXCESA-N 361.358 0.740 0 1 FCAF CC(C)N(c1nnc(S(N)(=O)=O)s1)S(=O)(=O)c1ccccc1 71295643 XVUCBYNTMYCSFS-UHFFFAOYSA-N 362.458 0.789 0 1 FCAF O=C1N=c2ccc(S(=O)(=O)O)cc2=C1NNc1ccccc1Cl 200776726 SKMRKWUFIUODPY-UHFFFAOYSA-N 351.771 0.471 0 1 FCAF Cc1cc(N)c2c(c1)C(=O)CC1(CN(S(=O)(=O)c3cn(C)cn3)C1)O2 587410411 SPUARTCFRBCVHY-UHFFFAOYSA-N 362.411 0.719 0 1 FCAF Cn1cc(CN[C@@H]2[C@H]3CO[C@@H](O3)[C@H](n3cnc4ccccc43)[C@H]2O)cn1 2356296822 OIORURCXBPPWFQ-DZVNLGKHSA-N 355.398 0.585 0 1 FCAF CCO[P@]1(=O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O1 8034764 TXRXEHHGCBJORG-VUHIUBOISA-N 357.263 0.227 0 3 FCAF Cc1cnc(CNC(=O)c2csc([C@H]3C[C@H](O)[C@@H](CO)O3)n2)cn1 61896816 XVMKGTPWNXAOGK-YNEHKIRRSA-N 350.400 0.355 0 3 FCAF CC1(C)N=C(N)NC(Nc2ccc(NC3=NC(C)(C)NC(=N)N3)cc2)=N1 29466702 WOICVUZUIYXWLH-UHFFFAOYSA-N 356.438 0.740 0 1 FCAF CC1(C)C=C(C(=O)NC[C@H](O)CNC(=O)Cc2cccs2)C(C)(C)N1 40828671 UJOHFYCECDKXGR-GFCCVEGCSA-N 365.499 0.971 0 1 FCAF OC[C@H]1O[C@H](n2cnc3nc4cc(Cl)c(Cl)cc4nc32)[C@H](O)[C@@H]1O 49031290 WCDLKFDMGMUZSG-BIAAXOCRSA-N 371.180 0.898 0 1 FCAF Cc1cn([C@H]2C[C@H](n3nncc3-c3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O 49070270 ZGLKLXLPRAAAMO-NUEKZKHPSA-N 369.381 0.625 0 1 FCAF O=S(=O)(NCc1nc2cnnc(O)c2[nH]1)c1ccc(F)c(F)c1F 587134918 WLNSWJVKSNCYMC-UHFFFAOYSA-N 359.289 0.954 0 1 FCAF COC(=O)[C@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)C1CCNCC1 25419304 BWLKWKLGMOSRSD-MRXNPFEDSA-N 374.441 0.904 0 1 FCAF biogenic CN1CCOC[C@H]1c1nc(C(=O)NCCc2ccccc2)c(O)c(=O)n1C 14979353 GMLDZTNBPDTBBL-AWEZNQCLSA-N 372.425 0.462 0 1 FCAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H](CO)O[C@H](O)CO 27106139 WTCTUIPTUFBMRK-SNPRPXQTSA-N 373.413 0.688 0 1 FCAF CC(C)(C)CCNc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49055090 WKBZSOXLEIPCDP-CGEWXTDFSA-N 351.407 0.286 0 1 FCAF COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)O)O[C@H](CO)[C@H]1O2 95794314 IBLCTBDNYJNFBT-YSHSQUNDSA-N 351.355 0.741 0 1 FCAF CCCCN[C@@H]1N[C@H]2[C@@H](C(=O)NC(=O)N2C)N1CC(=O)c1ccc(C)cc1 618016450 DNNXVTWYCOBNJF-LZLYRXPVSA-N 373.457 0.633 0 1 FCAF Cc1c(C(=O)N2CCN(C3CC3)CC2)cnn1-c1nc(=O)c2cccn2[nH]1 1857533596 GKTOOOYSXOEKAI-UHFFFAOYSA-N 367.413 0.437 0 1 FCAF COc1ccc([C@]23O[C@@H]4[C@H]2O[C@](OC)([C@H]3O)[C@]4(O)c2ccc(O)cc2)cc1 1857646926 KLNCHNDOLGSXFV-XVMXLUHGSA-N 372.373 0.999 0 1 FCAF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC(=O)N[C@H]1CCS(=O)(=O)C1 16236130 WCUTYBBURAZSAM-UXONFWTHSA-N 367.383 0.028 0 1 FCAF CO[C@@H]1N([C@H]2C[C@@H](F)[C@@H](CO)O2)C(=O)NC(=O)[C@@]1(C)Br 17215591 DUICDJHBRPQIQD-NHJAHIAPSA-N 355.160 0.110 0 1 FCAF N=C(N)c1ccc(C(=O)NCCC(=O)N2CCC(CC(=O)O)CC2)cc1 26182600 OIXCBHBSJGHCPN-UHFFFAOYSA-N 360.414 0.804 0 1 FCAF O=c1ccn([C@H]2CC[C@@H](CO[P@](=O)(O)Oc3ccncc3)O2)c(=O)[nH]1 43078235 ASFCORMANYOCGU-WCQYABFASA-N 369.270 0.805 0 1 FCAF C[C@@H]1CCCC[C@@H]1OCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO 66099554 WZFVMZSWZPZXLM-RCFCFVIZSA-N 359.507 0.901 0 1 FCAF C[C@H](/C=C/[C@H]1[C@H](C)CC(=O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 85878802 NLPBBNGDXNHAJP-HJJAQXSDSA-N 372.458 0.389 0 1 FCAF in-man O=C(NCCN1CCOCC1)Nc1cnc2ccc(Cl)cn2c1=O 95572655 YOJXQDUWBKNNMN-UHFFFAOYSA-N 351.794 0.802 0 1 FCAF CCC(=O)N1[C@@H]2c3cccc(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N1CCCCC1 95881590 DUBNWEBJLMWVKU-TUFGIGEDSA-N 373.453 0.761 0 1 FCAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2c2nc(O)ncc2C[C@@]3(O)[C@H]1C5 253636429 LCNCABZWEXDLGV-YDISMWLMSA-N 353.378 0.807 0 1 FCAF CCN1CCN(CCCn2cnc3c(N4CCNCC4)ncnc32)CC1 1857539077 VSUZXSNUTNZFNS-UHFFFAOYSA-N 358.494 0.264 0 1 FCAF COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@H](N3CCCC3)[C@H]2O)cc1 2356867435 WRVDWZMEVXAYOZ-MTSZKFMLSA-N 363.414 0.766 0 1 FCAF O=c1[nH]c2cc(Br)cc(CNCP(=O)(O)O)c2[nH]c1=O 26571941 NVQLTEKPZZTDBI-UHFFFAOYSA-N 364.092 0.204 0 1 FCAF O=C(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)C[C@@H]1O)c1ccccc1 28865079 HQIBFZUBABXQNN-YNEHKIRRSA-N 356.338 0.625 0 1 FCAF O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CC2)O1)NCC1CC1 95884808 SQIZVCZSVBGYDX-VSZNYVQBSA-N 352.475 0.922 0 1 FCAF O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccncc1 95905162 IROYBOQXOSSVQK-YESZJQIVSA-N 359.426 0.689 0 1 FCAF Cc1c(C(=O)N2CCn3cncc3C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857621412 NCWYXMONGKYRJJ-UHFFFAOYSA-N 364.369 0.369 0 1 FCAF Nc1nc(N)c2ncn(CCO[C@@H](c3ccccc3)P(=O)(O)O)c2n1 1633695 BMKRRDOLNYLTAX-CYBMUJFWSA-N 364.302 0.884 0 1 FCAF COC(=O)C1=C(C)N(NC(=O)c2ccccc2)[C@](C)(O)[C@@]12CCOC2=O 5757525 VZSAHIHZJOKJCJ-MSOLQXFVSA-N 360.366 0.736 0 1 FCAF CC1=C(CC[C@H](C)O)C(C)(C)C[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1 14587817 UJRMJTIXXKZFGB-WMSUDXNFSA-N 374.474 0.469 0 1 FCAF endogenous,in-man CN1CCC(CCC(=O)N2CCC[C@@H](C(=O)NCCC(=O)O)C2)CC1 26402663 FESCEKWSTPKQHV-OAHLLOKOSA-N 353.463 0.938 0 1 FCAF O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2C[C@H]3C[C@@H]2CN3)cc1 1857591872 ZMSYVVFHRVDYEF-RBSFLKMASA-N 365.455 0.330 0 1 FCAF CC(=O)OC[C@@]12CC[C@](C)(O)[C@H]3C[C@@]4(O)[C@@H](C[C@@H](OC(C)=O)[C@]41C)O[C@H]32 2356489299 RKUXEPMLCLYEAX-BCCKGHQJSA-N 368.426 0.941 0 1 FCAF NC(=O)COc1ccc(C(=O)N[C@@H]2CN(CC3CC3)CCC[C@@H]2O)cc1 2356852455 QPPKSVAIBUNRDR-SJORKVTESA-N 361.442 0.516 0 1 FCAF O=C(NC[C@H]1CCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CC1 4569118 VTLKDPZPNLDPFZ-CYBMUJFWSA-N 351.428 0.235 0 3 FCAF CC(C)C[C@@H](N)c1cn([C@@H](CCC(=O)O)C(=O)N2CCNCC2)nn1 13478085 HSMZIBZNUXZXPI-OCCSQVGLSA-N 352.439 0.162 0 3 FCAF CN1C(=O)N[C@H](CCCNC(=O)c2cc(Br)cn2C)C1=O 14594148 CIKVVARLHZDNRU-SECBINFHSA-N 357.208 0.848 0 1 FCAF biogenic COc1cccc(CNC(=O)C[C@H]2C=C[C@@H](NC(=O)C3CC3)[C@@H](CO)O2)c1 95903605 VFXNSGNFMQFRLQ-KZNAEPCWSA-N 374.437 0.912 0 1 FCAF O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1 95904012 DKJDFTZDOJIVOW-YESZJQIVSA-N 361.442 0.565 0 1 FCAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@]2(O)CCC(=O)C[C@@H]12 2356664619 CHXZCHQYWMFUIG-MZTNWIODSA-N 350.367 0.930 0 1 FCAF CCC/C=C1/OC(=O)c2c(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cccc21 13380519 LNWJAAMNXBMBCE-UKNLEMSYSA-N 366.366 0.177 0 1 FCAF endogenous,in-man C[C@H](Oc1ccccc1)C(=O)N[C@H](Cn1cncn1)CP(=O)(O)O 26172995 BBHUTOXJVLSIDF-NWDGAFQWSA-N 354.303 0.408 0 1 FCAF CN1C[C@@H]2CN(c3cc4c(cc3F)c(=O)n(O)c(=O)n4C3CC3)C[C@H]2C1 28373662 AOKSNIQQQYVKAV-GHMZBOCLSA-N 360.389 0.872 0 1 FCAF CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O 40843390 SSKYNOZWORXMQC-KKUMJFAQSA-N 366.462 0.005 0 1 FCAF OC[C@@H]1O[C@H](n2cnc3c(/C=C(\O)c4ccccc4)ncnc32)[C@@H](O)[C@H]1O 254012134 MHMCIRXDRBTNOZ-TYTPUVTCSA-N 370.365 0.494 0 1 FCAF COC[C@@H]1CCCN1[C@@H]1[C@H](CNC(=O)c2cccs2)O[C@@H](CO)[C@H]1O 2356845063 OAZKDTUMXGALOT-UNPMEBSKSA-N 370.471 0.078 0 1 FCAF NC(=O)C(=O)N1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)[C@H]2C1 12604956 FPYXHUAIWBIOAX-CYBMUJFWSA-N 368.349 0.037 0 1 FCAF biogenic 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O=C(O)[C@H]1O[C@@H](Oc2ccc3c(c2)Cc2ccccc2-3)[C@H](O)[C@@H](O)[C@@H]1O 238759801 ZLFOGQYAGDVXGP-YUAHOQAQSA-N 358.346 0.529 0 1 FCAF O=C(c1ccccc1)N1C[C@H]2COCCN2C2(CN(Cc3cnc[nH]3)C2)C1 2356288897 MNMMDIISAHSIJC-SFHVURJKSA-N 367.453 0.821 0 1 FCAF O=C1[C@@H]2C[C@H](NS(=O)(=O)c3cccs3)CCN2C(=O)[C@@H]2CCCN12 2356312183 GQWLMLXHIQFTMV-WOPDTQHZSA-N 369.468 0.391 0 1 FCAF C[C@@H]1CC[C@]2(O)[C@@H]1C[C@H]([C@](C)(O)COS(=O)(=O)O)CC[C@@]2(C)O 2356678192 WGZJGSMZQTWTSO-OJVARPOJSA-N 352.449 0.885 0 1 FCAF Cc1cc(-n2ncc(=O)[nH]c2=O)ccc1S(=O)(=O)N(C)C1CCCC1 26021281 RAMYQGZXOJLMFG-UHFFFAOYSA-N 364.427 0.792 0 1 FCAF C[C@](O)(C[C@H]1C=C(CO)C(=O)O1)[C@H]1COc2ccc3ccc(=O)oc3c2O1 58547176 GDPHCYVELMTBIG-TVZGQMOCSA-N 374.345 0.918 0 1 FCAF biogenic C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)[C@@H]2N1C(C)=O 100140760 ROGJRWSKYKYROL-DDAGJSHWSA-N 359.426 0.528 0 1 FCAF COc1cc([C@H](N)[P@](=O)(O)CC[C@H](N)C(=O)O)cc([N+](=O)[O-])c1O 113630363 ADINGBRUPHABQB-WRWORJQWSA-N 363.263 0.339 0 1 FCAF 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COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H]1OC(C)(C)O[C@H]1CO)[C@@H](C2)C3=O 587448109 HTFJPCBWIDVLAE-CWKGXVCISA-N 350.367 0.685 0 1 FCAF CC(=O)N1CCC(N[C@@H]2C[C@H](O)[C@@H](CO)[C@H]2Cc2ccnc(C)n2)CC1 2356289409 VHNZBIBWORJBHU-HCXYKTFWSA-N 362.474 0.286 0 1 FCAF C[C@@H]1[C@@H]2[C@H](O)[C@H](O)C(C)(C)[C@@]23O[C@@]12CC[C@H]1[C@H](O)[C@@]2(C[C@H]3O)C[C@]1(C)O 2356607451 VRUPRUIGNCVNKR-XSFMMAOFSA-N 368.470 0.185 0 1 FCAF CC[C@@H](C)[C@H](NC(=O)c1ccccc1N)C(=O)N[C@@H]1CCC(=O)NC1=O 45374920 SFNLQFSZDHFXBC-YVLXSGLVSA-N 360.414 0.335 0 1 FCAF O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1CN1CCN(CCO)CC1 64251984 GCNYORMJDCRZFH-IBGZPJMESA-N 358.442 0.033 0 1 FCAF CCN(c1nnc(S(N)(=O)=O)s1)S(=O)(=O)c1ccc(C)cc1 71294717 MAOWENWILJGFQA-UHFFFAOYSA-N 362.458 0.709 0 1 FCAF NNc1nc(NC(C2CC2)C2CC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1 95554871 KDIWIKZCXLRHOH-HLXQIYJLSA-N 371.445 0.625 0 1 FCAF CCNC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1 95907998 UOWXRGDLFUDMAF-QEJZJMRPSA-N 372.418 0.315 0 1 FCAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(S)nc(S)nc2[nH]1 586938113 IVQSLWIIZQXCMJ-RXMQYKEDSA-N 371.473 0.703 0 1 FCAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(=O)NC(=O)NC2=O 587799023 VTHIETZHROMLIO-RXMQYKEDSA-N 356.151 0.684 0 1 FCAF O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnn2c(CCO)ccnc12 653779526 MUWLIKNEXGSVST-BRDZXLPHSA-N 356.426 0.934 0 1 FCAF COC(=O)C[C@@H]1C[C@]2(C(=O)O)c3cccc(O)c3C(=O)[C@]2(O)[C@@H](C)O1 2356802873 WMPAAULYGKVKLY-ZTMRPBCXSA-N 350.323 0.383 0 1 FCAF O=C(NCCN1CCNC1=O)[C@H]1CCC(=O)N(CCc2ccccc2)C1 12579930 CCJABYZPAXQILY-INIZCTEOSA-N 358.442 0.609 0 3 FCAF Cc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O 7997211 OOEMZCZWZXHBKW-ADOMEBDSSA-N 371.397 0.358 0 1 FCAF CC(C)C[C@H](NC(=O)[C@@H]1CNC[C@H]1Cc1ccccc1)C(=O)NCC(N)=O 26733298 LKIKVUCBEUCKNC-ZACQAIPSSA-N 374.485 0.197 0 1 FCAF CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2O)[nH]c1=O 102976563 NAIDWMQNEMKDCT-QKPPEBSVSA-N 352.394 0.447 0 1 FCAF N[C@@H](CCOc1ccc(O)n1-c1c[nH]cc(Br)c1=O)C(=O)O 587942392 XNHIYJUCFDESNA-QMMMGPOBSA-N 372.175 0.815 0 1 FCAF N[C@@H](CN1C=C[C@]2(C(=O)C1)c1c(F)cccc1C[C@H]1CCCN12)C(=O)O 963097782 HKLPRKJNXYYMQM-WTANOLMUSA-N 359.401 0.852 0 1 FCAF C[C@@]1(CO)[C@H]2C[C@H](O)C3=C[C@H]4C[C@]3(CC[C@@]4(O)CO)[C@]2(C)CC[C@H]1O 2356323345 BAOAFTJGHZETGJ-RGSNSGFMSA-N 352.471 0.977 0 1 FCAF COCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)CCN2 82204602 DMBOGNMIQLCRFG-UHFFFAOYSA-N 360.370 0.392 0 1 FCAF CCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO 95906902 DBGASRQPVRWBAG-OAGGEKHMSA-N 353.463 0.189 0 1 FCAF CN(C)CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO 95907822 SFZNPDWWPXCWOM-BRWVUGGUSA-N 369.506 0.659 0 1 FCAF O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NC[C@H]1COc2ccccc2O1 100506336 HLMZWNBZCZZZRY-DHMYTKHGSA-N 368.389 0.750 0 1 FCAF Cc1nc(N)c2c(-c3ccccc3)cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 103249506 UNDFAHTZOMIPJF-SCFUHWHPSA-N 356.382 0.600 0 1 FCAF COC1=C[C@H](O)[C@@H]2C(=O)O[C@@H](C)C[C@H]3CC(=O)[C@@H](O)[C@H](C/C=C/C2=C1)O3 473149733 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354.403 0.601 0 1 FCAF O=C(O)CCCCCNC(=O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2C[S@@]1=O 223775476 WVGTVVXHODUEJR-XNCOPMLMSA-N 373.475 0.489 0 1 FCAF in-vitro CC(=O)N1CCN(c2c(NC[C@@H]3CCCN4CCCC[C@@H]34)c(=O)c2=O)CC1 504719094 IDODUMPUWJOSFB-HOTGVXAUSA-N 374.485 0.628 0 1 FCAF biogenic CC=C1C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](OC1=O)[C@H](O)[C@@H]23 2356559953 QBXXZMDYXQHARQ-ZSKNKVCCSA-N 351.399 0.164 0 1 FCAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=C(/F)Br)[C@@H](O)[C@H]1O 34095431 FQGCLFWAACZLII-PXHNCCBQSA-N 360.143 0.234 0 1 FCAF O=C1C[C@]2(CCc3ccccc3C2)C(=O)N1CN1CCN(CCO)CC1 64413849 PVCZVCXBRFGZEI-HXUWFJFHSA-N 357.454 0.488 0 1 FCAF O=C(N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccccn1 95676176 CJRAIIYLTSRGNA-HLLBOEOZSA-N 359.426 0.899 0 1 FCAF C[C@H](CO)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13C2=O 95912264 SJRJGAPYISMVCG-AVIUFBMWSA-N 374.389 0.284 0 1 FCAF biogenic,in-vitro COc1nc(N)nc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 103249427 MJZFMVAQGPAOSH-LSCFUAHRSA-N 372.381 0.301 0 1 FCAF Cc1cc2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2cc1F 587223917 XFUQSRLNENUZIV-ZJUUUORDSA-N 366.349 0.314 0 1 FCAF COc1cc(O)c2c(c1C)[C@H](C)[C@@](O)(CSC[C@@H](O)C(=O)O)OC2=O 2356377784 LRFLSZUUMSTQQS-GXEAXYKVSA-N 372.395 0.850 0 1 FCAF O=C1[C@@H]2O[C@@H]2C2(Oc3cccc4cccc(c34)O2)[C@]23O[C@]12[C@@H](O)CC[C@H]3O 14636352 JBMAWELOWLUVHE-OWISNOPSSA-N 368.341 0.681 0 1 FCAF biogenic OC[C@H]1O[C@@H](n2cc(Br)c3c(Cl)ncnc32)[C@H](O)[C@@H]1O 33493470 CUKHVEVYOJENQF-IOSLPCCCSA-N 364.583 0.459 0 1 FCAF O=c1ccn([C@H]2CC[C@@H](CO[P@](=O)(O)Oc3cccnc3)O2)c(=O)[nH]1 43075040 XVMWKAJEQAOPAE-WCQYABFASA-N 369.270 0.805 0 1 FCAF C[C@@H](NS(C)(=O)=O)C(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1 82127137 VNJMYTWWXCQPJD-LLVKDONJSA-N 354.407 0.908 0 1 FCAF CC(=O)c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(CC=C(C)C)c1 85880768 GVWZZKUSNVNWGC-UURKPOQGSA-N 366.410 0.577 0 1 FCAF in-man CC(=O)N1CCC(N[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](n3cc(Cl)cn3)[C@H]2O)CC1 2356297257 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371.397 0.922 0 1 FCAF O=C(C[C@H]1C/C=C/CCCC(=O)OC[C@H]2CCCN2C1=O)NCCO 169354854 XEJFTJLUIZAUMF-QQMCDMLBSA-N 352.431 0.766 0 1 FCAF Cc1ccc(CN2C(=O)[C@H]3C[C@H](O)CN3C3(CN(C4CCCC4)C3)C2=O)o1 2356316737 LMWOBZJSGMHJFQ-DOTOQJQBSA-N 373.453 0.889 0 1 FCAF CC(C)(C)c1ccnc(N[C@@H]2CO[C@@H]3[C@H](NS(C)(=O)=O)CO[C@H]23)n1 2356859361 STQSXJJAIMOUGU-FPQZTECRSA-N 356.448 0.270 0 1 FCAF COCC(=O)N[C@H]1CCN2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]2C1 25189178 LRBDKNSUMJFFFI-DZGCQCFKSA-N 359.382 0.951 0 1 FCAF biogenic CC(=O)O[C@@H]1C=C[C@H](O)[C@](O)(COC(=O)c2ccccc2)[C@@H]1OC(C)=O 85881006 MAIHNXWUKKJTIY-KYHPRHEASA-N 364.350 0.369 0 1 FCAF biogenic CC(C)(O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)C(Cl)(Cl)Cl 2356604548 ZFABYNFXUCIMOI-WIKBCIAESA-N 353.582 0.044 0 1 FCAF O=C(C[C@@H]1O[C@H](CNCc2ccccn2)[C@H](O)[C@H]1O)Nc1ccccc1 2356813198 CEDCBXXLMBNBFJ-NBMJBFSESA-N 357.410 0.689 0 1 FCAF CN[C@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2Cl)C1 28884671 GQBMGQLGBYZOLI-QMMMGPOBSA-N 367.812 0.803 0 1 FCAF 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C[C@@]12CC[C@H]3[C@]45C[C@@H](O)[C@@H](O)[C@](C)(C(=O)O4)[C@@H]5[C@@H](C(=O)O)[C@]3(CC1=O)C2 238763290 FIKFLMKZBYWNSX-RJMJAYKHSA-N 364.394 0.510 0 1 FCAF OC[C@H]1O[C@@H](OCCCCCCc2ccc(O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O 1857556249 VQRMLIMQHYHMKT-UYTYNIKBSA-N 372.414 0.017 0 1 FCAF O=S(=O)(N[C@@H]1[C@H](c2cncnc2)C[C@@H](O)[C@@H]1O)c1ccc(Cl)cc1 2356286659 KLDONYYBUPBXDU-YJNKXOJESA-N 369.830 0.686 0 1 FCAF C[C@H](O)[C@]1(O)CC[C@]2(O)[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3[C@@H](O)[C@@]2(O)C1 2356435767 OLHRMWGUPWKSSC-RBMRDLTNSA-N 368.470 0.233 0 1 FCAF C/C=C1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23 899345 BCJMNZRQJAVDLD-OQIMHWJESA-N 351.399 0.165 0 1 FCAF CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NS(=O)(=O)c3cccs3)CO[C@H]12 4235785 YWAGXODSCKNDOZ-LUTQBAROSA-N 362.429 0.307 0 1 FCAF biogenic CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2nc(=O)[nH]cc2C[C@]3(O)[C@H]1C5 27075222 LCNCABZWEXDLGV-YXUXOOTASA-N 353.378 0.394 0 1 FCAF CC(C)(C)OC(=O)NC[C@@H](OC(=O)[C@H](O)CO)c1ccc2c(c1)OCO2 84668431 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CCNC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NC(=O)c1ccc2c(c1)OCO2 2356817813 DNPHHSBRSXGNQB-JUDXGUMMSA-N 364.354 0.426 0 1 FCAF O=C1N[C@H]2CCN(C(=O)N3CCOCC3)[C@@H]2C(=O)N1Cc1ccccc1 25411830 UPUCGWICDRUAGJ-GJZGRUSLSA-N 358.398 0.634 0 1 FCAF biogenic CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H]2O[C@@H]2[C@@H]2O[C@@]21COC(=O)c1ccccc1 38260950 ASAWUXMEXFAFMU-SRFBJZQXSA-N 362.334 0.625 0 1 FCAF biogenic C[C@H](/C=C/[C@H]1[C@H](C)C[C@H](O)CC1(C)C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 70455047 ZORDFDALTAWLGH-DTRIMVIXSA-N 374.474 0.181 0 1 FCAF biogenic,in-vitro CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccncc2)O1 95887206 MKIQWJGRPCGZSV-XWTMOSNGSA-N 363.458 0.717 0 1 FCAF O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccncc1 95904124 UMZFBZHPBIGFIA-BBWFWOEESA-N 361.442 0.913 0 1 FCAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)CC)[C@@H](C(=O)N(C)C)[C@@H]1CO 100100065 WNIFUETVRIDYMU-RVYXWRJFSA-N 373.453 0.870 0 1 FCAF O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(C(=O)O)c1 115060692 YYYCGQMVETUNDT-UHFFFAOYSA-N 358.354 0.486 0 1 FCAF CCS(=O)(=O)NC[C@@]12COC[C@@H]1CN(Cc1cccnc1OC)C2 299843639 VLQASSUMKKJTSV-GOEBONIOSA-N 355.460 0.478 0 1 FCAF CNC(=O)[C@H](c1ccccc1OC)N1CCC[C@H]1C(=O)N1CC[C@H](O)C1 2356759730 RTPJVNUAKWUMDO-QRTARXTBSA-N 361.442 0.540 0 1 FCAF O=C(CNS(=O)(=O)c1cccc2nonc12)NCc1ccc(F)cc1 3665227 QRONELHZISLMQN-UHFFFAOYSA-N 364.358 0.957 0 3 FCAF CONc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](c2ccon2)[C@@H](O)[C@H]1O 3985909 DSEWACBLYMCGGM-FNOROQBZSA-N 368.737 0.433 0 1 FCAF CC1(C)[C@@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O 33913425 BWMFRQKICHXLSH-ZZZNUFMVSA-N 370.486 0.168 0 1 FCAF c1ccc(-c2nc(=NC3[C@@H]4COC[C@@H]34)[nH]c(=N[C@@H]3[C@H]4COC[C@H]43)[nH]2)cc1 1857770767 XVBMLXWZQQEHCO-FAHYXWLWSA-N 351.410 0.496 0 1 FCAF CC[C@H](C)c1cc(OC)cc(OC)c1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356516289 RPODJXKGLJIZDW-MPOFLDAASA-N 372.414 0.396 0 1 FCAF CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 13527352 ZSNOBCQCTZOWGP-UHFFFAOYSA-N 373.475 0.678 0 1 FCAF O=C(O)CN(C(=O)CF)C(=O)[C@H]1CCN1C(=O)OCc1ccccc1 28825329 WRWYSNQKOSTWQC-GFCCVEGCSA-N 352.318 0.807 0 1 FCAF OC[C@H]1C[C@@H](Oc2ccccc2Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 35966480 UEAZXOKIWVKQGJ-SBUWESJJSA-N 360.406 0.825 0 1 FCAF CN1C(=O)[C@H]2[C@H](N=C(N3CCCNCC3)N2Cc2ccccc2)N(C)C1=O 36350336 BLGUSSSWRVVDJB-HZPDHXFCSA-N 370.457 0.372 0 1 FCAF OC[C@H]1O[C@H](n2cnc3c(NCc4cccs4)ncnc32)[C@H](O)[C@@H]1O 49792864 NXSATUYYWOSHKH-CGEWXTDFSA-N 363.399 0.111 0 1 FCAF CC(=O)NCCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1 82133885 BSDGWCLCEULWIG-UHFFFAOYSA-N 369.425 0.846 0 1 FCAF CCOc1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@H](C)CN3)cc1 82211860 ROCWJZPTNMMLAD-GFCCVEGCSA-N 359.430 0.966 0 1 FCAF CC1=C(CC[C@@H](C)O)C(C)(C)C[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1 86031255 UJRMJTIXXKZFGB-KUIMDADLSA-N 374.474 0.469 0 1 FCAF in-man C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@@]2(O)C[C@@H](O)[C@@H](C)[C@@H]42)[C@]13C 257438146 HQUSKUTUDDZKOD-LWQHLRELSA-N 368.470 0.247 0 1 FCAF endogenous,in-man N=C(CF)NCCC[C@H](NC(=O)c1ccccc1C(=O)O)c1nn[nH]n1 299859225 FNDDZIHWZPPHKF-NSHDSACASA-N 363.353 0.686 0 1 FCAF Cc1cnn([C@@H]2[C@H]3OC[C@@H](O3)[C@@H](NC(=O)NC3CCCCC3)[C@@H]2O)c1 2356295345 GUXAGFLRFONLOT-OWYFMNJBSA-N 350.419 0.849 0 1 FCAF C[C@H](C=C[C@@H]1[C@H](C)C[C@@H](O)CC1(C)C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356484573 ZORDFDALTAWLGH-ILAIXQBPSA-N 374.474 0.181 0 1 FCAF O=C(O)CCC[C@@H](COCCOCCOCCOCCO)CC(=O)O 2356837414 LJXNKEMBFQZHEM-CQSZACIVSA-N 366.407 0.391 0 1 FCAF CC(=O)OC[C@]1(O)[C@@H](OC(=O)c2ccccc2)C=C[C@H](OC(C)=O)[C@H]1O 14489497 MMCPYZQGIAIGLY-CUSZFKRNSA-N 364.350 0.369 0 1 FCAF biogenic,in-vitro COCCOC[C@H](C[C@@H](Cc1ccccc1)C(=O)NCC(=O)O)C(=O)O 27749841 QMUQKJRQOCWGQF-CABCVRRESA-N 367.398 0.800 0 1 FCAF OC[C@H]1O[C@@H](n2cc(-c3ccc4ccccc4c3)nn2)[C@H](O)[C@@H](O)[C@@H]1O 45368160 BQMXQDYTYFMQSE-UYTYNIKBSA-N 357.366 0.071 0 1 FCAF in-vitro O=C(O)CNCCNCc1nc2cccc(I)c2[nH]1 587228415 CJCHPWUKWIPYIY-UHFFFAOYSA-N 374.182 0.931 0 1 FCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCC3)[C@@H](O)[C@H]2O1)NCc1cccnc1 2356289374 UVODMOVBFFXOQF-APWQULEDSA-N 361.442 0.516 0 1 FCAF CN1C(=O)[C@@H]2C[C@H](O)CN2C2(CN(Cc3c[nH]c4ccccc34)C2)C1=O 2356290117 JVBFVSDOQUWSHB-BBRMVZONSA-N 354.410 0.156 0 1 FCAF CC=C1C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@](C)(O)[C@H](C)[C@@H]1O)[C@@H]23 2356774858 FAFYHPIEFKLDSP-ILWONRGDSA-N 353.415 0.244 0 1 FCAF CCOC(=S)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)c(O)c1 2356860196 UCRLHRLMYSVFGS-VZSMQBMCSA-N 373.427 0.010 0 1 FCAF COCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@](C)(O)C[C@@H]2OC(C)=O)OC1=O 67902530 OPAWQGXUUDQIPB-GDXOXYCMSA-N 368.382 0.714 0 1 FCAF CCNC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1 95907995 UOWXRGDLFUDMAF-VHDGCEQUSA-N 372.418 0.315 0 1 FCAF CO[C@@]12CC[C@H](NCC(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@H]2C5 100578862 YHKUQEWICWSOTO-RSRVEKDDSA-N 374.437 0.873 0 1 FCAF Cn1c(=O)c2c(nc3n2CCN(C2Cc4ccccc4C2)C3)n(C)c1=O 1857551515 KVNZJVQHZJHQBC-UHFFFAOYSA-N 351.410 0.417 0 1 FCAF OC[C@H]1O[C@H](n2cnc3c(Nc4ccccc4F)ncnc32)[C@H](O)[C@@H]1O 49016334 SJRKIIOEQHWQLV-VSBTWAGUSA-N 361.333 0.321 0 1 FCAF OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccc(OCc2ccccc2)cc1 49066910 CWHWIEJOOOHEJA-FUMNGEBKSA-N 358.438 0.582 0 1 FCAF COCCn1c(=O)c(-c2cccs2)nc2cnc(N3CCNCC3)nc21 4238600 GUZSONRLTJXHCJ-UHFFFAOYSA-N 372.454 0.971 0 1 FCAF C[C@H](N[C@H](CCc1ccc(O)cc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O 13590063 GXMFOLDKCVCVLH-GLQYFDAESA-N 364.398 0.832 0 1 FCAF CCOP(=O)(OCC)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O 13673321 IHNMQYODZISEAH-HOSYDEDBSA-N 364.291 0.383 0 1 FCAF COC(=O)[C@@H](CC(C)C)N1C[C@@H]2O[C@@H](C(=O)N3CCCCC3)[C@@H](O2)C1=O 95563794 MNTZQPYJSPFTGX-KBUPBQIOSA-N 368.430 0.539 0 1 FCAF C[C@H](O)[C@H]1O[C@@H](n2cc(-c3ccn[nH]3)c3c(N)ncnc32)[C@](C)(F)[C@@H]1O 205831406 BGXDVDZFHLYKQJ-AEVDGTTNSA-N 362.365 0.771 0 1 FCAF CC1(C)CNC(=O)c2c(nc(N3CCOCC3)nc2-c2ccc(N)nc2)O1 225300371 MEMJWQIRKUWMBU-UHFFFAOYSA-N 370.413 0.858 0 1 FCAF C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@H](OC1=O)[C@H]23 238770102 NPYPUYCITBTPSF-IDEOEOOQSA-N 351.399 0.164 0 1 FCAF C[C@@]12CC(=O)[C@@]3(O)[C@@](O)(CC[C@H]4C(=O)c5c(O)cccc5[C@@H](O)[C@]43O1)C2 2356479694 ZXJRSMKDYMUFOX-KWGYVIGOSA-N 360.362 0.385 0 1 FCAF O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)C1 6920306 DHHXNORQKQXLLN-VIFPVBQESA-N 369.424 0.984 0 3 FCAF COCCn1c(=O)c(-c2ccccc2)nc2cnc(N3CCNCC3)nc21 4238435 QRUOGGZKQQXSJV-UHFFFAOYSA-N 366.425 0.910 0 1 FCAF CCC/C=C1/OC(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cccc21 14917032 LNWJAAMNXBMBCE-AIYHKXFJSA-N 366.366 0.177 0 1 FCAF endogenous,in-man O=C1NC(Nc2cc(Cl)cc(Cl)c2)=N[C@H]2[C@@H]1N=CN2COCCO 29488579 WETBFVKWNHDVAK-NWDGAFQWSA-N 372.212 0.896 0 1 FCAF COc1ccccc1Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49124695 MZZZNHQEMKZNJS-GDLHICMESA-N 373.369 0.190 0 1 FCAF CN(CC(=O)NC(C)(C)C)C[C@@H]1NC(=O)[C@H]2[C@@H]3CCC[C@@H]3S[C@H]2N1 618013273 QUDAHWOLZVKYGG-WGPBJTTCSA-N 354.520 0.736 0 1 FCAF O=C(NCCO)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 2492788 UQFWZTLXWGIHGZ-RDJZCZTQSA-N 370.409 0.385 0 1 FCAF O=C(C1CCNCC1)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 5433716 PERHQVRLELBMGI-MRXNPFEDSA-N 356.426 0.661 0 1 FCAF biogenic O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1OCCCc1ccccc1 5955952 PKAUUFQQSOSZIW-BPUTZDHNSA-N 362.382 0.189 0 1 FCAF COc1cc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(OC)c1O 13826972 BBJZNOAPOPJECG-VOTSOKGWSA-N 372.381 0.864 0 1 FCAF COC(=O)[C@@H](C)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O 34799858 SSCZNHPGVYPRQJ-SSDOTTSWSA-N 355.821 0.631 0 1 FCAF Nc1nc(NCCc2ccccc2)nc2c1ncn2[C@@H]1C[C@@H](O)[C@H](O)[C@@H]1O 36272172 OZCCPYHYSIPRDM-GBOPCIDUSA-N 370.413 0.091 0 1 FCAF Cc1c(N2CC[C@H](C3(N)CC3)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 40423857 XBIVXXYLQONGDK-NSHDSACASA-N 373.432 0.977 0 1 FCAF Nc1nccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 586941311 JOYQKCKMGWRDTG-UHFFFAOYSA-N 361.383 0.790 0 1 FCAF CC(=O)N1CCC(N[C@@H]2C[C@H](O)[C@H](CO)[C@H]2Cc2ccnc(C)n2)CC1 2356289411 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O=C(O)[C@H](O)[C@@H](O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586890099 NIVMLYVVTKZLIY-HTQZYQBOSA-N 354.262 0.335 0 1 FCAF OC[C@@H](O)[C@@H](O)c1nc2c(I)cnc(Cl)c2[nH]1 586893223 WUUKFTVBQLVDFB-CLZZGJSISA-N 369.546 0.603 0 1 FCAF CO[C@H]([C@H](O)[C@H](O)CO)[C@H]1c2ccsc2CCN1Cc1cccn1C 962378695 ZHALBBYOKXXSTR-DDBAPUKQSA-N 366.483 0.915 0 1 FCAF CC(=O)OC[C@@H]1CC(=O)O[C@H]1[C@@]1(CO)CC(=O)c2c(O)cccc2O1 2356816709 DEDISAPWHIUADD-HKJPBSJPSA-N 350.323 0.583 0 1 FCAF CCn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(CC)c1=O 26016888 RUHZTCYHUORQGT-UHFFFAOYSA-N 364.383 0.840 0 1 FCAF COc1ccc(C[C@@H](CO)NC(=O)/C=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1 29341018 RMIGPANRXXCTMF-GWJCSSMESA-N 359.382 0.113 0 1 FCAF C[C@]12C(=O)O[C@@H]3C[C@H]4c5occc5C(=O)C[C@H]4[C@@]4(CO[C@@]1(O)C[C@@H]4O)[C@@H]32 1772614907 POJPBRCLRBSNJB-WPESMDIYSA-N 360.362 0.987 0 1 FCAF N=C(N)NOCCCOc1cc(Cl)cc(C(=O)N2CCOCC2)c1 27206703 UYIHVHCOHHJMEV-UHFFFAOYSA-N 356.810 0.996 0 1 FCAF CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O 39816768 NLZVTPYXYXMCIP-FQUUOJAGSA-N 356.467 0.049 0 1 FCAF biogenic COCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)CCN2 82204782 ORZGRPBQESTAGD-UHFFFAOYSA-N 359.386 0.048 0 1 FCAF OC[C@@H]1O[C@H](n2cnc3c(/C=C(/O)c4ccccc4)ncnc32)[C@@H](O)[C@@H]1O 102945217 MHMCIRXDRBTNOZ-ABPDIMPRSA-N 370.365 0.494 0 1 FCAF OC[C@@H]1O[C@H](n2cnc3c(/C=C(\O)c4ccccc4)ncnc32)[C@H](O)[C@H]1O 254012129 MHMCIRXDRBTNOZ-SJALXHCRSA-N 370.365 0.494 0 1 FCAF NS(=O)(=O)c1ccc(C(=O)n2nc(O)c3c(F)cccc3c2=O)cc1 1857614572 MMBIDJYHISXNSU-UHFFFAOYSA-N 363.326 0.577 0 1 FCAF CC(=O)OC[C@H]1O[C@@H](O[C@@H]2C=C(C)[C@H]3C[C@H]2C3(C)C)[C@@H](O)[C@H](O)[C@H]1O 2356646976 WEQMVVUOMLDWQU-FXFGGXOGSA-N 356.415 0.365 0 1 FCAF CO[C@@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(COC(C)=O)=C31)O2 2356734928 JQPHXJKBQIJDAY-QRVDHSFSSA-N 368.382 0.714 0 1 FCAF C[C@H](OCc1ccccc1)C(=O)N1CCS(=O)(=O)N2CCC[C@@H]2C1=O 1629630 ZCYWSHFVUILJAE-DZGCQCFKSA-N 366.439 0.755 0 1 FCAF C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc21 13610731 AACDCSBTWQKCLH-MCPWVCTESA-N 363.418 0.573 0 1 FCAF CC[C@@H](COC(C)=O)O[C@@H](COC(C)=O)n1cnc2c(N)ncnc21 28107088 RJHBOSJYGMXAFN-RYUDHWBXSA-N 351.363 0.829 0 1 FCAF CC[C@@H](C)CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 28522347 JKPIENNMIYUJJP-NENBDWHOSA-N 353.448 0.807 0 1 FCAF CCOP(=O)(OCC)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1O 40763978 IHNMQYODZISEAH-JFGNBEQYSA-N 364.291 0.383 0 1 FCAF CN(C)CC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO 95903477 LVRYKZWFXWGZBN-XHSDSOJGSA-N 355.479 0.269 0 1 FCAF CC1=C[C@@H](O)[C@H](O)[C@@]2(C)[C@@H]3[C@H](O)[C@H]4OC(=O)[C@H]([C@@H]4C)[C@@]3(C)C(=O)C[C@H]12 238756736 PFEUJUXMHXWDQS-KVTLCBEYSA-N 350.411 0.438 0 1 FCAF Nc1nc(O)c2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2n1 587193679 OESPUKBLKXFODL-UHFFFAOYSA-N 356.386 1.160 0 1 FCAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)N1 587834264 RDYGSNMRYVVLSB-MBTPXLPCSA-N 364.211 0.239 0 1 FCAF CC(=O)CCC1=C(C)C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356466341 BJFKUIUNGGPCAB-UVWFUSSVSA-N 372.458 0.677 0 1 FCAF CN1CC[C@@H]2[C@H]1C(=O)NC[C@@H](CCC(=O)NCc1ccc(F)cc1)N2C 2356831507 JPSJTZUVVKFABK-NUJGCVRESA-N 362.449 0.725 0 1 FCAF NC(=O)CO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Nc1nccc(-c2cccs2)n1 2356833713 KIZUFPBNAGVHSQ-YIKOMLBNSA-N 362.411 0.654 0 1 FCAF CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccc(NC(=N)N)cc1 26252303 WIFMLRCXHDOVFP-UHFFFAOYSA-N 361.402 0.387 0 1 FCAF N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)O 27317459 ZJPGOXWRFNKIQL-HRCADAONSA-N 359.426 0.623 0 1 FCAF CC(C)C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(C)C 48998493 OQSBAHSTKWJVRR-IWCJZZDYSA-N 365.434 0.530 0 1 FCAF COc1cc2c(c(OC)c1OC)[C@@H]1O[C@H](CO)[C@H](OC)[C@@H](O)[C@H]1OC2=O 2356671423 YMKVGAMALRPMHT-DBXOSMHCSA-N 370.354 0.060 0 1 FCAF COC(=O)CC[C@@H]1CNC(=O)[C@@H]2[C@H](CCN2Cc2ccc(O)cc2)N1C 2356816167 CYKQONKOUNCLMN-HFTRVMKXSA-N 361.442 0.719 0 1 FCAF Cc1cn([C@H]2C[C@H](n3cc(-c4ccccc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O 9339858 YIIUPUWFCBAYMU-ARFHVFGLSA-N 369.381 0.625 0 1 FCAF CCCCS(=O)(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 95921227 ILRSJTONHWLJFH-UHFFFAOYSA-N 366.443 0.733 0 1 FCAF in-vitro C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)N1 587830722 UJWHGAUUAGNGBG-OLQOJVLJSA-N 364.211 0.239 0 1 FCAF O=C(O)COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)cc1 26577017 PQSYHRBOKAMQRL-APGQMXJTSA-N 364.357 0.184 0 1 FCAF C[C@H](Oc1ccc([C@H](O)[P@](=O)(O)CC[C@@H](N)C(=O)O)cc1)C(=O)O 148986232 APKUZALKBDSBHZ-OLXJLDBKSA-N 361.287 0.602 0 1 FCAF C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCc1ccccn1 618014703 FLGJCAIBUIKGJK-DHSIGJKJSA-N 353.426 0.948 0 1 FCAF CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)CCN1C(C)=O 1772575341 SIZXQYQYIMYYCQ-AWEZNQCLSA-N 358.391 0.610 0 1 FCAF CN(CCc1ccccc1)[C@@H]1[C@H](CNC(=O)c2ccco2)O[C@@H](CO)[C@@H]1O 2356805820 ADUUNWPNYMLANB-OKYOBFRVSA-N 374.437 0.673 0 1 FCAF CNc1nc(Cl)nc2c1ncn2C[C@@H](CO)COP(=O)(O)O 13864017 NKUNQWPGLRJHPN-LURJTMIESA-N 351.687 0.239 0 1 FCAF CCCCCOC(=O)C[C@H](CO)CCn1cnc2c(=O)[nH]c(N)nc21 29390964 RXFNVCMTUOTJBN-LLVKDONJSA-N 351.407 0.824 0 1 FCAF COCCNC(=O)C[C@@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 95678218 LJTZBZLXVQJQJX-HRCADAONSA-N 371.478 0.680 0 1 FCAF COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CC(=O)O)O[C@@H]2CO)cc1 95906552 JTWZAMNSSOCUJO-KWCYVHTRSA-N 359.400 0.357 0 1 FCAF COc1cccc(CNC(=O)CC/N=c2/c(N3CCCC3)c(O)c2=O)c1 103535206 WIMSELQNDFZNGD-SILNSSARSA-N 357.410 0.844 0 1 FCAF Cc1n[nH]c(N)c1-c1nc2ccc(S(=O)(=O)NCCO)cc2s1 114398106 XWHGEQWOGJBXQD-UHFFFAOYSA-N 353.429 0.848 0 1 FCAF CC1=C2CC[C@]3(O)C[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1[C@@H](O)[C@H](O)C2(C)C)C[C@@]3(C)O 1857590891 AARGXWPCPPCOEJ-JRLNVQFESA-N 368.470 0.233 0 1 FCAF CC1=C(CC[C@@H](C)O)C(C)(C)C[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1 2356463249 UJRMJTIXXKZFGB-ZLAVIKKFSA-N 374.474 0.469 0 1 FCAF CC(=O)OC[C@H]1O[C@@H](OCC2=CC[C@H]3C[C@H]2C3(C)C)[C@@H](O)[C@H](O)[C@H]1O 2356626087 KVGFKZMNWAQIFI-GWJXYOPSSA-N 356.415 0.366 0 1 FCAF COc1ccc2c(c1OC)=CN1C[C@@H](O)c3cc4c(cc3[C]1C=2)OCO4 2356809462 FXZRVHKNPAOITM-MRXNPFEDSA-N 352.366 0.894 0 1 FCAF O=C(O)c1ccc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)cc1 36380749 MIENEUCYIXGSHE-UHFFFAOYSA-N 357.395 0.926 0 3 FCAF Nc1ccn(CCN2C(=O)CS[C@@H]2COC(=O)c2ccccc2)c(=O)n1 1487331 YWUKYDLOYNLHKT-OAHLLOKOSA-N 374.422 0.584 0 1 FCAF NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 1575540 QJVFWNHLKIAQAW-INIZCTEOSA-N 371.393 0.831 0 1 FCAF CO[C@@]1(C)/C=N/CC(C)(C)NC(=O)[C@@](C)(OC)/C=N/CC(C)(C)NC1=O 17218292 UHZFQYYITQQTCZ-OTXVQYHJSA-N 368.478 0.741 0 1 FCAF C[C@@H](CO)[C@@H]1C[C@H]2[C@@]3(O)[C@H]4O[C@](O)(C[C@]2(C)[C@@]2(O)CC[C@@](C)(O)[C@H]42)[C@@]13C 104364596 SHKTYUCWKCFSRV-IKSUIRGFSA-N 368.470 0.391 0 1 FCAF in-man C/C=C1/CN2CC[C@]3(O)c4ccccc4N4[C@H](C(=O)OC)[C@H]1C[C@H]2[C@]43O 238777088 LDIJTOICDZARKZ-IWACUQDTSA-N 356.422 0.979 0 1 FCAF CC(C)=CCn1c(N2C[C@@H]3CCCN[C@H]3C2)nc2c1c(=O)n(C)c(=O)n2C 299845219 SLBWXZAWJOCQEL-KBPBESRZSA-N 372.473 0.588 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cncc(Cl)c2[nH]1 587216950 AAELIOFPJGQWDM-JGVFFNPUSA-N 369.765 0.435 0 1 FCAF N[C@@]1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CCOC1 587248264 KNSBOVMGMDNKHE-HNNXBMFYSA-N 352.416 0.158 0 1 FCAF COC1=N[C@](OC)(C(C)C)C(=O)N[C@]1(OC)[C@H](O)c1ccc(O)cc1 2356322937 DQRHVFZNTZMXLH-COXVUDFISA-N 352.387 0.942 0 1 FCAF COCCNC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccno2)CN(C)C(=O)C1 2356436923 ACUZWZXCNOUEPA-OLZOCXBDSA-N 366.418 0.184 0 1 FCAF COc1ccc(O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(C(C)(C)C)c1 2356658170 IOOLYFLBZFWTHU-NJURLYQPSA-N 356.371 0.264 0 1 FCAF CC(=O)N1CCN([C@@H]2[C@H]3OC[C@@H](O3)[C@@H](NCC3CCCCC3)[C@H]2O)CC1 2356816417 DAZQVXSIUDQKIY-FQBWVUSXSA-N 367.490 0.174 0 1 FCAF O=C1C[C@H](O)[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@H]2[C@H]1O[C@H]1C3=O 14715391 CWLFJXQTLUVHKQ-KFTVDVTESA-N 366.325 0.961 0 1 FCAF biogenic COC(=O)[C@](C)(O)[C@@H]1C[C@@H]2C(C)=CC(=O)[C@@H](OC(C)=O)[C@@]2(C)CC1=O 15053387 FHQDMQFKSWZDRD-FGYYNUPOSA-N 352.383 0.973 0 1 FCAF biogenic COCC(=O)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)Nc3ccc(OC)cc3)CO[C@H]21 25227860 IKJKBWYVCWMPFD-BFJAYTPKSA-N 366.370 0.541 0 1 FCAF biogenic C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNc3cc[n+](C)cc3)C[C@H]12 27524438 FHGKXWGLFGNGNG-MPKXVKKWSA-O 364.447 0.564 0 1 FCAF CCNC(=O)NS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2C)cc1 169336397 CYODIMIRFUKOII-UHFFFAOYSA-N 352.372 0.887 0 1 FCAF O=C(NCCN1CCNC1=O)c1ccc(NC2Cc3ccccc3C2)nn1 207423057 YADYSZAPWNDRJE-UHFFFAOYSA-N 366.425 0.811 0 1 FCAF O=C(c1ccc2nc(C[C@@H]3COCCO3)[nH]c2c1)N1CCN(CCO)CC1 586910941 UDDCUMHNDRIVJZ-OAHLLOKOSA-N 374.441 0.271 0 1 FCAF CNS(=O)(=O)N1CCC(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CC1 586954465 IKKOGEWSYMHRTO-UHFFFAOYSA-N 364.353 0.967 0 1 FCAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(O)ncnc4[nH]3)c2N)C1 586954728 GDFWHHVXYNNVEP-UHFFFAOYSA-N 360.399 0.625 0 1 FCAF NCCOc1nc(Cl)nc(Nc2ccc(N3CCOCC3=O)cc2)n1 1857759140 HNSCPASQWPYZMV-UHFFFAOYSA-N 364.793 0.969 0 1 FCAF CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(CC(C)=O)CS(=O)(=O)[C@H]12 27207322 WPNDUQHFNYURGH-WCQYABFASA-N 359.400 0.173 0 1 FCAF C[C@]1(CO)[C@@H](O)CC[C@]2(C)[C@@H]1C[C@H](O)[C@]1(O)C[C@](C)([C@H](O)CO)CC[C@H]12 28648788 WDRRSJQZCVZNOS-JJEYXXEYSA-N 372.502 0.418 0 1 FCAF OC[C@H]1O[C@@H](n2cnc3c(/C=C/c4ccccc4)ncnc32)[C@H](O)[C@@H]1O 34461908 JYUHDFJDZHGBJJ-SSNWKTBSSA-N 354.366 0.608 0 1 FCAF CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(C)=O 96930000 WRLLQSWZWKPIIO-HOTGVXAUSA-N 371.526 0.150 0 1 FCAF CCNC(=O)N1CC[C@H]2CC(=O)N(CCN3CCOCC3)CC[C@@H]2C1 2356313193 UNSFLKZPSKVBAS-JKSUJKDBSA-N 352.479 0.609 0 1 FCAF CC(=O)CCC1=C(C)C[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356466343 BJFKUIUNGGPCAB-ZIVXASGVSA-N 372.458 0.677 0 1 FCAF CC[C@H](C)[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O 2356696313 TVYWVSJGSHQWMT-XQLPTFJDSA-N 372.510 0.589 0 1 FCAF O=C(c1ccccc1F)N1C[C@H]2COCCN2C2(C1)CN(C(=O)C1CC1)C2 2356698209 MQBIAYNXWWFFBO-HNNXBMFYSA-N 373.428 0.973 0 1 FCAF O=C(CCC(=O)c1ccccc1)N[C@H](Cn1cncn1)CP(=O)(O)O 26166284 KLRFXYQGSQHIAJ-CYBMUJFWSA-N 366.314 0.604 0 1 FCAF Nc1nc(NC2CC2)c2ncn(C[C@@H](CF)OCCP(=O)(O)O)c2n1 96913316 PLZLFZJBEMUBHX-SECBINFHSA-N 374.313 0.515 0 1 FCAF CCOC(=O)O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34 169344455 VGVRMQIJEPJUKU-XFHWEBQZSA-N 352.431 0.994 0 1 FCAF CO[C@H](/C=C/[C@@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](O)[C@H]1CC=CC(=O)O1 238766101 STNNWPKHRBGYMO-SDKACVFOSA-N 356.371 0.674 0 1 FCAF C[C@@H]1S[C@H](O[P@](=O)(O)OCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O 253633687 LMVMTILZHMGOKP-FXAPSIEYSA-N 350.329 0.864 0 1 FCAF C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@]2(O)CC[C@](C)(O)[C@@H]42)[C@]13C 257541089 SHKTYUCWKCFSRV-DGSTYTOHSA-N 368.470 0.391 0 1 FCAF endogenous,in-man CN1C[C@@H](NC(=O)C2CC2)CCC[C@H](C(=O)NC2CCOCC2)CC1=O 2356323069 HIIVQVXWNYAUSD-HOCLYGCPSA-N 365.474 0.825 0 1 FCAF CC1(C)CCC[C@@]23C(=O)O[C@@]4([C@H](O)C(=O)[C@H]12)[C@@H]1[C@H](CO)[C@]1(C)CC[C@]34O 2356415282 GKARPIJLSMMCSR-PXMRBCTESA-N 364.438 0.808 0 1 FCAF O=C(NCCS(=O)(=O)N1CCC2(CC1)OCCO2)c1ccc(F)cc1 4941001 ZHLJBMIHECVEFS-UHFFFAOYSA-N 372.418 0.724 0 3 FCAF CC(C)CNCC[C@@H]1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O 13733636 HQKIQECHTDDZLM-SECBINFHSA-N 367.518 0.599 0 1 FCAF COC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2F)[C@H](CO)O1 95676613 CZGVFFSNBHAYON-UHTWSYAYSA-N 359.375 0.352 0 1 FCAF COC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccccc2F)[C@H](CO)O1 95676621 CZGVFFSNBHAYON-WXHSDQCUSA-N 359.375 0.352 0 1 FCAF O=C(N[C@H]1C[C@@H](NC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O)c1ccccc1 238765088 KEZSGISSKIEUBC-ILOCAZANSA-N 370.405 0.070 0 1 FCAF O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1OCCN1CCN(c2ncccn2)CC1 261079169 BKUHRNRFWGGTNN-CAOSSQGBSA-N 369.425 0.337 0 1 FCAF CS(=O)(=O)N1CCO[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1 587654940 PZMXIOTVRSWYEJ-LBPRGKRZSA-N 371.802 0.351 0 1 FCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@@H](O)[C@@H](O)CO)N1 587829793 RDYGSNMRYVVLSB-SLRIJNBGSA-N 364.211 0.239 0 1 FCAF C[C@@H]1O[C@@H]2NCNC(=O)[C@@H]2[C@@H]1C(=O)N(C)Cc1nc2ccccc2s1 618014894 ABOMBRYNQBURDU-JAXMGHNFSA-N 360.439 0.909 0 1 FCAF COCC(=O)N[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1cc(COc2ccccc2)nn1 2356843749 NOZYPAKZVAWDRB-AHCXZYCDSA-N 374.397 0.327 0 1 FCAF C/C(=N/CCN1CCOCC1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O 5624584 LMDVITSATVECDR-ZHZULCJRSA-N 372.425 0.432 0 1 FCAF C[C@@H]1COc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)nc3n21 26145965 BQTIRSVLDSAHIO-SECBINFHSA-N 362.361 0.939 0 1 FCAF Nc1nc(N2CCCCC2)c2ncn([C@H]3C[C@@H](O)[C@@H](CO)S3)c2n1 27622706 VJEYMYWPZPTKNZ-GMTAPVOTSA-N 350.448 0.756 0 1 FCAF N=C(N)c1ccc(C2=NO[C@H](CC(=O)N3CCC(=O)[C@H](C(=O)O)C3)C2)cc1 38159090 CVZFQMQJGGMPII-QWHCGFSZSA-N 372.381 0.356 0 1 FCAF COCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@H](C)CN2 82211963 BJKWSCZCWWRSHN-LLVKDONJSA-N 374.397 0.953 0 1 FCAF CNC[C@H]1Oc2ccc(NS(C)(=O)=O)cc2CC(=O)N(C)C[C@H]1C 95662774 KDIKRPBRIQIWMR-IAQYHMDHSA-N 355.460 0.676 0 1 FCAF C[C@H]1CN([C@H](C)CO)C(=O)c2cccnc2O[C@H]1CN(C)S(C)(=O)=O 95854511 JFMKVGHXFJZXDP-SCRDCRAPSA-N 371.459 0.193 0 1 FCAF CC(C)NC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCN2CCCC2)O[C@H]1CO 95907486 FTIYXGGJAAWHHL-XHSDSOJGSA-N 370.494 0.205 0 1 FCAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(O)nc(S)nc2[nH]1 586945591 JBYHBWUTLCAJBC-UHFFFAOYSA-N 355.401 0.965 0 1 FCAF CC(C)N1C[C@H](C)[C@@]2(C1)c1[nH]cnc1C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12 963224739 TWDPYRZVQSTIFL-XPVILTJLSA-N 357.458 0.723 0 1 FCAF Cc1c(C(=O)N2CC[C@]3(CCOC3)C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857610978 ZXONQFNBOSSCFR-SFHVURJKSA-N 368.397 0.769 0 1 FCAF CC1(C)CCC[C@@]23C(=O)O[C@@]4([C@H](O)C(=O)[C@H]12)[C@@H]1[C@H](CO)[C@]1(C)CC[C@@]34O 2356415283 GKARPIJLSMMCSR-RVJQZANNSA-N 364.438 0.808 0 1 FCAF C[C@H]1C[C@@]23OC(=O)C4=C(O)CC[C@@H](C)C(=O)[C@@H]5[C@@H](O)[C@H]2[C@H](O)[C@]1(C)O[C@]453 2356803306 WXMZHRVVOZXDJP-SDHXWJACSA-N 364.394 0.628 0 1 FCAF CCc1ccc(Nc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1 36113851 FXHOLBKPEQYDBA-AZAGILFBSA-N 371.397 0.744 0 1 FCAF OC[C@H]1O[C@H](n2ncc3c(SC4CCCC4)ncnc32)[C@H](O)[C@@H]1O 49793132 AMOBMTCLNADFRE-BLTAXRJOSA-N 352.416 0.473 0 1 FCAF CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCOCC2)O1 95885833 OGJYBLVGGJZQKN-XDNAFOTISA-N 370.490 0.501 0 1 FCAF CN(C)C(=O)c1ccc2c(N3CCOCC3)nc(-c3cnc(=N)[nH]c3)nn12 473108503 MLMIYEUFMJHPTB-UHFFFAOYSA-N 368.401 0.137 0 1 FCAF CC=C(C)C(=O)OC[C@H]1O[C@@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@H](O)[C@H]1O 2356603538 KPNARKFYPKZCHK-RBUCKAEESA-N 374.386 0.073 0 1 FCAF O=S1(=O)CCOC[C@@H](CO)N1Cc1cccc(Br)c1 96019065 RSPOPRJTJGQUGZ-GFCCVEGCSA-N 350.234 0.972 0 3 FCAF CC(=O)c1nnn(-c2ccc(F)cc2)c1N[C@@H]1CS(=O)(=O)C[C@H]1O 20444144 CJJRONHUWCLPJG-VXGBXAGGSA-N 354.363 0.179 0 1 FCAF Cc1ccc(S(=O)(=O)NCCCn2nnc(C(=O)O)c2C(=O)O)cc1 95597015 PHDJVVDRDKJMCZ-UHFFFAOYSA-N 368.371 0.352 0 1 FCAF COc1cccc(CNC(=O)CCCNC(=O)[C@H](O)C(C)(C)CO)c1 96916963 YVITUXFZIXEPDM-INIZCTEOSA-N 352.431 0.587 0 1 FCAF O=C(CC1=N[C@H]2CCCC[C@H]2NC1=O)NN1C(=O)c2ccccc2C1=O 103272625 FCYFZSMVWMVLKJ-QWHCGFSZSA-N 354.366 0.586 0 1 FCAF Cc1n[nH]c(N)c1-c1nc2cc(F)c(S(=O)(=O)NCCO)cc2s1 114398173 FPJDFJGMHIJACK-UHFFFAOYSA-N 371.419 0.987 0 1 FCAF 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Nc1ncnc2c1nc(Br)n2CCOCP(=O)(O)O 26181961 OQEILKBTUXZPBJ-UHFFFAOYSA-N 352.085 0.323 0 1 FCAF CS(=O)(=O)N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(C4CCCC4)n3)CO[C@H]12 36368818 WMMHTLLCNKBCQY-GBJTYRQASA-N 368.459 0.630 0 1 FCAF biogenic COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1C[C@@H](C)CC(C)(C)C1 169296939 AUXRAHMZLFZBSE-DCQANWLSSA-N 372.418 0.204 0 1 FCAF Nc1ncnc2c1cc(Cl)n2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O 196697283 OXPRCSNQDJNURK-IOSLPCCCSA-N 362.666 0.441 0 1 FCAF in-vitro O=C(O)COCC(=O)N1C[C@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356575249 GJVGPQMJAPLTKB-GXFFZTMASA-N 369.324 0.869 0 1 FCAF COC(=O)[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)OC)C(=O)C[C@]1(C)O 12384320 AKIVAEMHBBAVNN-FSZRXZPDSA-N 364.350 0.801 0 1 FCAF Cc1cn([C@@H]2C[C@H](O)[C@H](CNC(=O)Oc3ccccc3)O2)c(=O)[nH]c1=O 40632104 NDWHKZVNSPIXCQ-IHRRRGAJSA-N 361.354 0.282 0 1 FCAF COc1cncc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c12 586936549 RVGBFGBJMHHILE-UHFFFAOYSA-N 361.383 0.397 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3cn[nH]c3cc2[nH]1 587217886 DBMSURABFJANFE-RKDXNWHRSA-N 374.357 0.263 0 1 FCAF Nc1cnc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]2)nc1 587252963 VNKFVFZUACBBKY-UHFFFAOYSA-N 360.399 0.623 0 1 FCAF CCCCN1C(=O)[C@@H]2C[C@H](O)CN2C2(CN(Cc3ccccc3)C2)C1=O 2356290171 KZDWDQVTUASWTO-IRXDYDNUSA-N 357.454 0.845 0 1 FCAF CC(C)(O)c1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)N2CCOCC2)nn1 2356301389 VSUUBFYYBPZOGC-QLFBSQMISA-N 363.462 0.075 0 1 FCAF COc1cc2c(=O)n(-c3ccc(C)cc3)c(=O)n(CC(N)=O)c2cc1OC 4176384 LDHUOUKAHSTGMV-UHFFFAOYSA-N 369.377 0.963 0 1 FCAF O=C(CSc1ccccc1)N[C@@H](Cn1cncn1)CP(=O)(O)O 26173616 YOWWEXFTZMWERT-NSHDSACASA-N 356.344 0.733 0 1 FCAF CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)c1nc3nc(O)nc(O)c3cc12 587564021 YAWGYNBIANBFFO-RFAUZJTJSA-N 350.400 0.880 0 1 FCAF CC[C@]1(CO)N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3OC[C@H]2[C@H]1[C@@H]3O 2356567986 CWCJRENCBBKDHD-KBAIVRILSA-N 374.437 0.341 0 1 FCAF C[C@]12NC(=O)N[C@]1(O)C[C@H](CNC(=O)c1cc(Br)c[nH]1)O2 2356792359 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365.390 0.007 0 1 FCAF CC(=O)OCC1=C2/C(=C\[C@]3(C)CC[C@](O)(O3)[C@](C)(O)C[C@H]2O)OC1=O 238785286 VXLRPFBAXXIUFB-PWDTVYMASA-N 354.355 0.060 0 1 FCAF Nc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cn1 586942139 HHGZCGUAWIPWJB-UHFFFAOYSA-N 352.807 1.110 0 1 FCAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NC3CCC3)[C@H](O)[C@H]2O1 2356293532 IHMIJZVJBCLYQU-IGNRKKQASA-N 355.435 0.039 0 1 FCAF O=C1[C@@H]2O[C@@H]2C2(Oc3cccc4cccc(c34)O2)[C@]23O[C@]12[C@H](O)CC[C@@H]3O 14636354 JBMAWELOWLUVHE-FNGDTDCNSA-N 368.341 0.681 0 1 FCAF biogenic CCCCCCNc1nc2c(ncn2[C@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]1 40440486 YRFCNNWEMPTGEQ-GRYCIOLGSA-N 351.407 0.753 0 1 FCAF C[C@]12CC[C@]3(O)C[C@@]1(CC[C@H]1[C@@]24C[C@@H](O)C[C@@]1(C)C(=O)O4)C(=O)[C@@H]3CO 95918989 CFSLAOAQWVRUBI-XOSHQQNLSA-N 364.438 0.952 0 1 FCAF biogenic,in-vitro CC(C)=CCn1c(N2C[C@H]3NCCC[C@@H]3C2)nc2c1c(=O)n(C)c(=O)n2C 96916913 SLBWXZAWJOCQEL-ZIAGYGMSSA-N 372.473 0.588 0 1 FCAF CC1=C(CC[C@H](C)O)C(C)(C)C[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1 257554265 UJRMJTIXXKZFGB-CCBGNKAZSA-N 374.474 0.469 0 1 FCAF endogenous,in-man N[C@@H](Cc1nc2ccc(F)cc2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587218731 IDMGQZNJPZSKMX-WPRPVWTQSA-N 352.322 0.006 0 1 FCAF O=C(c1cnn(-c2nc(=O)c3cccn3[nH]2)c1)N1CCN2CCC[C@@H]2C1 1857616489 LNDLCVWOBHWRLU-CYBMUJFWSA-N 353.386 0.129 0 1 FCAF O=C1NC(Nc2cc(Cl)cc(Cl)c2)=N[C@@H]2[C@H]1N=CN2COCCO 29488582 WETBFVKWNHDVAK-NEPJUHHUSA-N 372.212 0.896 0 1 FCAF COc1ccc2c(c1)NC(=O)Cc1cc3c(=O)n(C)c(=O)n(C)c3nc1-2 45356255 FTIKXKPOYVUJHY-UHFFFAOYSA-N 352.350 0.802 0 1 FCAF CCO[P@@](=O)(CC(N)=O)OC[C@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1 169371921 GPPXEGZLTTZXCY-JBBSYBRQSA-N 373.302 0.030 0 1 FCAF COc1cc2c(c(O)c1OC)C(=O)C[C@@H]([C@@]1(O)CCC(=O)C[C@H]1O)O2 238775904 APKLMFXWPFKKNT-IIYDPXPESA-N 352.339 0.588 0 1 FCAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3ccncc3F)[C@H](O)[C@H]2O1 2356293307 FYKHSVXEDCZTDH-UIVXMWCNSA-N 367.421 0.511 0 1 FCAF COCCOCC1(CNC(=O)COc2ccccc2)C[C@H](O)[C@@H](O)C1 2356317227 YMGUKTFBCWDOLL-HOTGVXAUSA-N 353.415 0.347 0 1 FCAF CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)C(=O)NCCCc1c[nH]c(=N)[nH]1 2356723555 MVIUINKRBCGPBQ-SQNXGDPESA-N 365.434 0.123 0 1 FCAF NS(=O)(=O)c1ccc(CCNCc2ccc(S(=O)(=O)O)o2)cc1 42921579 JMDDLWBKVUYEAH-UHFFFAOYSA-N 360.413 0.506 0 1 FCAF CCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccccc2OC)O[C@@H]1CO 95906031 TYONUPOIPWMRQR-BFYDXBDKSA-N 362.426 0.912 0 1 FCAF CCNC(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 95906415 BFCNITPYXPLZBL-KBMXLJTQSA-N 370.471 0.708 0 1 FCAF Cn1c([C@@H]2COC[C@H]2O)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O 149508276 JSWPMVDXMZQKBQ-VXGBXAGGSA-N 363.345 0.030 0 1 FCAF CSc1ccc2c(NC(P(=O)(O)O)P(=O)(O)O)ncnc2n1 299826521 DJMKQLORXOCVEQ-UHFFFAOYSA-N 366.232 0.798 0 1 FCAF O=C(c1ccccn1)N1CC[C@]2(COc3ncccc3S(=O)(=O)N2)C1 299850271 WGHMRQZOHCOHFW-MRXNPFEDSA-N 360.395 0.432 0 1 FCAF Nc1cncc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1 587254338 MSDABLZRAZLNAN-UHFFFAOYSA-N 366.425 0.957 0 1 FCAF NC(=O)N1CCc2cc(-c3cncc(CN4CCOCC4=O)c3)cnc21 1772571498 JZGBWZVBTNAPSU-UHFFFAOYSA-N 353.382 0.944 0 1 FCAF Cc1ccc(CN2C(=O)[C@H]3C[C@H](O)CN3C3(CN(CC4CC4)C3)C2=O)o1 2356318026 LKAMGARJRMFKDD-GOEBONIOSA-N 359.426 0.356 0 1 FCAF CC1(C)S[C@@H]2[C@@H](NC(=O)COCC(F)(F)F)C(=O)N2[C@@H]1C(=O)O 2356497445 NRJZMVOJWZKXTE-LKEWCRSYSA-N 356.322 0.197 0 1 FCAF C[C@H]1COc2cc(NCCCN3CCOCC3)ccc2S(=O)(=O)N1 96021140 YUGJCLMPKFQGFX-ZDUSSCGKSA-N 355.460 0.880 0 3 FCAF CC1CCN(Cc2nnnn2CC(=O)N2CCCC[C@@H]2CCO)CC1 12073990 MRMNIQSGHJVILB-OAHLLOKOSA-N 350.467 0.669 0 1 FCAF N=C(N)Nc1ccc(C(=O)NCCC(=O)N2CCC(C(=O)O)CC2)cc1 26250302 RZTTWINIVOVMOY-UHFFFAOYSA-N 361.402 0.435 0 1 FCAF CCOC(=O)[P@](=O)(O)OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)CS1 26287369 KPSFSKZFNZNTMH-RKDXNWHRSA-N 365.304 0.772 0 1 FCAF COC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1 33755642 RASPLVISAYEZCJ-JRPNMDOOSA-N 363.395 0.029 0 1 FCAF Cc1ccc(Cc2csc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1 58582026 KFRMLXVTBKDFAJ-IBEHDNSVSA-N 351.424 0.557 0 1 FCAF CC[C@H](C)[C@H](NC(=O)[C@H]1O[C@H]1NCC(C)C)C(=O)N1CCC[C@@H]1C(=O)O 70719349 OCZXKCAOQZRBLU-OJKRMQCYSA-N 369.462 0.563 0 1 FCAF CC(C)=CCn1c(N2CC[C@@H]3CNC[C@@H]32)nc2c1c(=O)n(C)c(=O)n2C 96273258 MJJWCMRKPGSALX-OLZOCXBDSA-N 358.446 0.198 0 1 FCAF O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)NC[C@@H]1COc2ccccc2O1 104200934 HLMZWNBZCZZZRY-QVCFSIDQSA-N 368.389 0.750 0 1 FCAF C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)CCO)CC(=O)O1 299809609 RRYRJZUPZQUKPZ-TTZJNIPJSA-N 374.499 0.906 0 1 FCAF Nc1ncnc2[nH]c(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)nc12 587203734 SIZHGWBCRSQOQA-SNVBAGLBSA-N 356.342 0.857 0 1 FCAF CC(=O)Nc1ccc(CN[C@@H]2CO[C@H](CNC(=O)NC(C)C)[C@@H]2O)cc1 2356287309 GRMBGUXVASNDPA-BRWVUGGUSA-N 364.446 0.571 0 1 FCAF CC(=O)N1CCC(N[C@@H]2CO[C@@H](CNC(=O)c3cccs3)[C@H]2O)CC1 2356287449 JEXGHJGKHJLHDO-YCPHGPKFSA-N 367.471 0.207 0 1 FCAF CC[C@]1(C)C(=O)O[C@@H]2CCN3C[C@H](O)[C@H](COC(=O)[C@H](C)[C@@]1(C)O)[C@H]23 2356625521 PBNZHFUUVMKYRC-ISDPCSCSSA-N 355.431 0.323 0 1 FCAF COc1ccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1 2047862 LRRAIRJIZOLGPR-UHFFFAOYSA-N 362.454 0.883 0 1 FCAF in-vivo CCOC(=O)C1=CN(C(=O)OC(C)(C)C)[C@@H](CN2C(=O)COCC2=O)C1 13828884 NRCDEIXLFCRISE-GFCCVEGCSA-N 368.386 0.828 0 1 FCAF CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)N=C1NCCN1CCOCC1 72108943 XWMJILWGGGHVMC-UVTDQMKNSA-N 358.398 0.506 0 1 FCAF C[C@]1(CC(=O)Oc2ccccc2)[C@H](C(=O)O)N2C(=O)C[C@@H]2S1(=O)=O 169320475 YUSAKRYBEWWALK-WHOFXGATSA-N 353.352 0.181 0 1 FCAF CN[C@@H](CSSC[C@H](NC)C(=O)N1CCCC1)C(=O)N1CCCC1 209679010 SJKMPGYDUIMMJZ-KBPBESRZSA-N 374.576 0.789 0 1 FCAF COC(=O)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1 257531034 RHLFBIFJRZNCRZ-RQISZKQWSA-N 369.370 0.320 0 1 FCAF endogenous,in-man COc1cccc([C@@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)n1 963213870 IKSPWCFYDNUUBX-HEHGZKQESA-N 353.382 0.661 0 1 FCAF CCC(CC)O[C@@H]1C=C(C(=O)N[C@H](C)C(=O)O)C[C@H](N)[C@H]1NC(C)=O 1857749668 QUTHGGAQPYAKKU-KYQLBWAOSA-N 355.435 0.312 0 1 FCAF O=S(=O)(NC[C@@H]1OC[C@@H](NCc2ccncc2)[C@H]1O)c1ccccc1 2356718201 NSFBCOMQMAYJAQ-IXDOHACOSA-N 363.439 0.278 0 1 FCAF Cc1csc2nc(O)c(C(=O)NCCCN3CCCC3=O)c(=O)n12 10166740 GLCATRBLNFMRNW-UHFFFAOYSA-N 350.400 0.512 0 1 FCAF COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 34801069 PGGCRGAETLNAJC-UHFFFAOYSA-N 373.457 0.553 0 1 FCAF CC(C)(CO)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)ncnc21 40937710 CYNPKMOWKZEHIR-UHFFFAOYSA-N 367.302 0.490 0 1 FCAF CCCCCCn1cc[n+](CC(O)(P(=O)(O)O)P(=O)(O)O)c1 95586993 JMMDOVQLBCYRNZ-UHFFFAOYSA-O 357.260 0.357 0 1 FCAF CC(C)C[C@H](C(=O)O)N1C[C@@H]2O[C@@H](C(=O)N3CCCCC3)[C@@H](O2)C1=O 215914922 ZUAFSVKYYOXGST-AAVRWANBSA-N 354.403 0.451 0 1 FCAF CNS(=O)(=O)NCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 586943203 VYNAJLFSLAEQHG-UHFFFAOYSA-N 363.193 0.577 0 1 FCAF Cn1ccnc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cnc3ccccc32)[C@H]1O 2356315446 ZWYPEUPFEUDGDJ-XABWRGDLSA-N 355.398 0.585 0 1 FCAF COc1cc(C=CC(=O)O[C@@H]2C[C@](C)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O 2356365235 IEMKPSWSRBUZGD-YIBWGGGYSA-N 366.366 0.932 0 1 FCAF Cc1cccc(OCC2(CNC(=O)N3CCOCC3)C[C@@H](O)[C@H](O)C2)n1 2356596361 HBNAPDANQLNKCE-HUUCEWRRSA-N 365.430 0.313 0 1 FCAF O=C(O)[C@H]1O[C@H](Oc2ccc(Oc3ccccc3)cc2)[C@@H](O)[C@H](O)[C@H]1O 2356666156 UKGMLDJBEMVQLQ-LFRCEIEQSA-N 362.334 0.750 0 1 FCAF O=C(NC1CCCC1)N[C@@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO 95903493 HXDRGRNUAHHKIF-ARFHVFGLSA-N 369.462 0.386 0 3 FCAF C[C@@H](CO)[C@H]1OC(=O)C=C2[C@@]3(C)C[C@@H]4O[C@@H]4[C@]4(C)C(=O)O[C@@H]([C@H]34)[C@H]3O[C@]213 5665176 HFEAHCITXGPGJQ-OYAQTABHSA-N 362.378 0.343 0 1 FCAF CN1CCN(C[C@@](O)(C(=O)O[C@@H]2CN3CCC2CC3)c2ccccc2)CC1 26837172 ANSCFCQCBHLZNY-CTNGQTDRSA-N 373.497 0.759 0 1 FCAF NS(=O)(=O)c1cccc(Nc2nc(N3CCNCC3)nc3[nH]cnc23)c1 53229416 BYBPGZCXYJSTDR-UHFFFAOYSA-N 374.430 0.154 0 1 FCAF N[C@H]1CN(c2cc(N3CCc4nocc4C3)ncn2)C[C@@H]1N1CCCC1=O 66080459 ZFVTUVIVTMWRSE-ZFWWWQNUSA-N 369.429 0.166 0 1 FCAF Cn1c(=O)cnn(CCCCN2CCN(c3ncccc3F)CC2)c1=O 220015760 LSHNFGIERRVFBN-UHFFFAOYSA-N 362.409 0.079 0 1 FCAF COCC(=O)N[C@@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)Nc3ccccc3)N2C1 2356859809 TYRRTUGXICVSKP-OAGGEKHMSA-N 374.441 0.109 0 1 FCAF O=C(NCc1ccco1)C1CCN(S(=O)(=O)N2CCOCC2)CC1 3048252 NUSFUARROBBNPD-UHFFFAOYSA-N 357.432 0.185 0 3 FCAF OC[C@H]1O[C@@H](n2nc(-c3ccccc3)nc2-c2cnccn2)[C@@H](O)[C@@H]1O 17221059 QFNSOSQYPDYLPK-VWPFQQQWSA-N 355.354 0.014 0 1 FCAF OC[C@H]1O[C@@H](n2cnc3c(NCCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O 27413075 LGZYEDZSPHLISU-OYUZRVEBSA-N 371.397 0.092 0 1 FCAF CCC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)N3CCCCC3)CC[C@@H]21 95887032 WDQUBADRRQMLDS-VVLHAWIVSA-N 368.474 0.935 0 1 FCAF Cn1nc(C(=O)N2CCOCC2)c2c1-c1cccc(F)c1S(=O)(=O)C2 112931939 PUOJAIRQIFIHLD-UHFFFAOYSA-N 365.386 0.986 0 1 FCAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)N1 587830726 UJWHGAUUAGNGBG-WRKUKDLCSA-N 364.211 0.239 0 1 FCAF C[C@@H]1O[C@@H]2NCNC(=O)[C@H]2[C@H]1C(=O)N(C)Cc1nc2ccccc2s1 618014893 ABOMBRYNQBURDU-BMKFTJPRSA-N 360.439 0.909 0 1 FCAF CO[C@@H]1C=C2[C@H]([C@@H]3OC(=O)[C@H](C)[C@@H]3[C@H](OC(C)=O)C[C@]2(C)O)[C@]1(C)O 2356571622 WNYMTSMTYKPWJG-HWICDMATSA-N 354.399 0.573 0 1 FCAF C[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2)CC1)C(=O)O 4089945 HBNDVLRWQFJVKS-ZBFHGGJFSA-N 373.453 0.888 0 1 FCAF biogenic CN(CCC(=O)O)C(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1 26468394 WSGZUVRAVUYFHJ-OAHLLOKOSA-N 353.463 0.938 0 1 FCAF C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)CCN)CC(=O)O1 26991504 IRCDUPSHISIJOZ-RUOPTTLUSA-N 373.515 0.872 0 1 FCAF N=C(N)c1ccc(C2=NO[C@H](CC(=O)N3CCC(=O)[C@@H](C(=O)O)C3)C2)cc1 27518918 CVZFQMQJGGMPII-STQMWFEESA-N 372.381 0.356 0 1 FCAF COc1ccc(C[C@H](NC(=O)[C@@H]2CSCN2C(C)=O)C(=O)O)cc1 28098402 KDPPIOBYUOVMJZ-KBPBESRZSA-N 352.412 0.729 0 1 FCAF COCCSc1nc(NC(C)=O)c(N(CCOC)CCOC)c(=O)[nH]1 73196379 GNPPFGDSWZRAMC-UHFFFAOYSA-N 374.463 0.566 0 1 FCAF NS(=O)(=O)C[C@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2cccc(F)c21 962922041 OJTZIRSVHFLXEV-KWQFWETISA-N 356.297 0.471 0 1 FCAF CSC[C@H]1O[C@@H](n2cnc3c(N(C)N=O)nc(F)nc32)[C@H](O)[C@@H]1O 1772643378 RGXDWPHFCKECLN-IOSLPCCCSA-N 358.355 0.065 0 1 FCAF Cc1cccc(OCC2(CNC(=O)C3CCOCC3)C[C@@H](O)[C@H](O)C2)n1 2356546848 SOJMKHKHWOGQDG-HZPDHXFCSA-N 364.442 0.814 0 1 FCAF O=C1c2[nH]cc3c2C2=C4[C@@H]1N[C@H]1C[C@@]45C(=C[C@@H](O)[C@@H]([C@H]5O)N2CC3)S1 2356824554 GWBRHAMWIIHNKW-HLBSNHGOSA-N 355.419 0.203 0 1 FCAF C[C@H](O)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1COCC1=O 29571037 NKPSVGWTQPJOFL-ZSGNIPIJSA-N 362.407 0.465 0 1 FCAF CC(=O)O[C@@H]1[C@H](O)[C@H](C)O[C@H](O)[C@@H]1OC(=O)C=Cc1ccc(O)cc1 2356497459 OKXFATZWVGIXEE-HWQGSREOSA-N 352.339 0.347 0 1 FCAF O=C1C[C@H](O)[C@@H]2c3ccc(O)c4c3[C@@](O)(c3ccc(O)c1c32)[C@@H](O)CC4=O 2356720282 VJWXYPUJILLMFB-MRQYSOIQSA-N 368.341 0.674 0 1 FCAF CC1=CC(=O)O[C@@H]1[C@@]1(C)C[C@@H]2OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@]23[C@@H]14 13309347 QFFKFFIFIWKYEB-UPSREKTDSA-N 364.394 0.532 0 1 FCAF CCC/C=C1/OC(=O)c2c(O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cccc21 14917034 LNWJAAMNXBMBCE-FUMPNSPOSA-N 366.366 0.177 0 1 FCAF endogenous,in-man CN1CCN(C(=O)CCCc2nnc3n(C)c(=O)c4sccc4n23)CC1 20131811 UJXGJMARAWRGRZ-UHFFFAOYSA-N 374.470 0.739 0 1 FCAF Cn1ncc(N2CCO[C@@H](CCNC(=O)NCc3ccco3)C2)cc1=O 23311117 HFKQPBIQDJQEQC-HNNXBMFYSA-N 361.402 0.468 0 1 FCAF Cc1ccc(N2CC[C@]3(O)CCN(CCN4CCCC4=O)C[C@@H]3C2)nn1 92038275 IIIFMXLWRSYWCJ-VQIMIIECSA-N 359.474 0.671 0 1 FCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(N4CCCC4)nc23)N1 205041853 ZSMDNUZIWPSKPU-XFFZJAGNSA-N 354.374 0.479 0 1 FCAF CN(C)[C@@H]1CCN([C@@H]2CS(=O)(=O)N[C@H]2COCc2ccccc2)C1 254048482 YLTSVTUNIZTHCA-IXDOHACOSA-N 353.488 0.509 0 1 FCAF Cc1cc(F)c2[nH]c(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)nc2c1 587221814 QMWNOGKEKORCJP-NXEZZACHSA-N 366.349 0.314 0 1 FCAF CN(CC(=O)NC(C)(C)C)C[C@@H]1NC(=O)[C@@H]2[C@H](N1)S[C@H]1CCC[C@@H]12 618013271 QUDAHWOLZVKYGG-HCBXJVOMSA-N 354.520 0.736 0 1 FCAF O=C(N[C@H](Cn1cc(Cl)c(O)nc1=O)C(=O)O)c1cccc(F)c1 2356285943 BAVARYFTFNGGLZ-SNVBAGLBSA-N 355.709 0.625 0 1 FCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCCCC3)[C@@H](O)[C@@H]2O1)N1CCOCC1 2356318752 VIXRDHONYHPAKS-AEXBHSQCSA-N 368.474 0.443 0 1 FCAF NS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 27135222 XETDNXQYNTUKOK-UHFFFAOYSA-N 362.411 0.818 0 1 FCAF OCCn1cc(-c2cnc3nnn(Cc4ccn5nccc5c4)c3n2)cn1 118228050 KJSAUKUYSFCYRX-UHFFFAOYSA-N 361.369 0.773 0 1 FCAF COC1=C[C@H](O)[C@H]2C(=O)O[C@@H](C)C[C@H]3CC(=O)[C@@H](O)[C@H](C/C=C/C2=C1)O3 473149732 KIBJDJJXGWIFNI-QPMBIEOWSA-N 364.394 0.803 0 1 FCAF Nc1nc(O)c2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2n1 587202215 GPQKGEQRPSFHIH-VIFPVBQESA-N 372.341 1.083 0 1 FCAF C[C@H](NC(=O)Cc1ccco1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21 28899702 XDRPGJMGXGKWMV-SJCJKPOMSA-N 368.393 0.990 0 1 FCAF CC[C@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(CC(=O)OC)c2=O)N1 82208265 CDLIJMOGHLTLHA-NSHDSACASA-N 373.369 0.034 0 1 FCAF COC(=O)[C@@]1(O)C[C@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O1)[C@H]2O 200663222 RBBBFXCGIKRNMO-PYNLBYDESA-N 364.350 0.022 0 1 FCAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3c(O)nc(N)nc3[nH]2)s1 587024151 OSBUYQJSDYHGHU-UHFFFAOYSA-N 364.391 0.852 0 1 FCAF CC(=O)N1CCN(c2ccc(N3C[C@H](CNO)OC3=O)cc2F)CC1 653804962 DGGRMFPYIINWGI-ZDUSSCGKSA-N 352.366 0.798 0 1 FCAF CC(C)CN[C@@H]1C[C@H](COc2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@@H]1O 2356752261 HFYRCOSXQXJXGH-BASLNEPJSA-N 357.472 0.825 0 1 FCAF COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N(C)C)C(=O)O)cc1 13704633 FEAQONONFDZQLY-ZDUSSCGKSA-N 374.397 0.723 0 1 FCAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC(F)(F)F)[C@@H](O)[C@@H]1O 17211771 OADDFVPHOXLNAW-ICQCTTRCSA-N 365.337 0.323 0 1 FCAF O=C(NCCc1ccncc1)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl 71331540 RQEAJDSDDNNNSW-UHFFFAOYSA-N 371.784 0.942 0 1 FCAF C[C@@]1(O)[C@@](C)(CO)O[C@@](C)(n2cnc3c(N)nc(Cl)nc32)[C@]1(C)O 95535399 OMHBFBBVTZZPNL-AAVRWANBSA-N 357.798 0.018 0 1 FCAF CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1 95887005 XDZVHRLWUJKWQZ-CBBWQLFWSA-N 369.487 0.731 0 1 FCAF COc1ccccc1CNC(=O)C[C@@H]1CC[C@H](NC(C)=O)[C@H](CO)O1 95906646 AEKMALSEBJWOQY-ZOBUZTSGSA-N 350.415 0.746 0 1 FCAF CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2N1C(C)=O 96182763 DSAGJJPNKNANEL-YUELXQCFSA-N 351.428 0.043 0 1 FCAF O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O 587927256 RXPRQZLJOWCHTA-SNVBAGLBSA-N 351.267 0.935 0 1 FCAF CO[P@](=O)(O)C[C@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O 1857766056 UZOSZNPUGHUVJX-KJWHEZOQSA-N 362.315 0.090 0 1 FCAF O=C(CO)Nc1cc2c(cc1O)Oc1ccc(CO)cc1N2C(=O)CO 2356404360 MBUFQJRRHNNNEY-UHFFFAOYSA-N 360.322 0.578 0 1 FCAF COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(OCC=C(C)C)c1 2356643242 LTKOEKFHHKOTHT-KYHPRHEASA-N 368.382 0.636 0 1 FCAF CCCNC(=O)N[C@@H]1CCC[C@H](C(=O)NCCOC)CC(=O)N(C)C1 2356733869 BYFDYBJQBJAECE-UONOGXRCSA-N 356.467 0.475 0 1 FCAF C[C@H]1COc2c(N3CC[C@@H](N)C3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23 13649667 XJDCVXNXLXSSQA-JGVFFNPUSA-N 362.361 0.912 0 1 FCAF CC/C=C/C[C@H]1[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)CC[C@@H]1CC(=O)O 14947828 GJZJZRWFRZFTEE-IMVCEOCJSA-N 374.430 0.029 0 1 FCAF endogenous,in-man N=C1C2=C3CCCN3[C@](O)(N3CCOCC3)[C@@H]2NC(=O)N1c1ccccc1 103174993 MWIOFXGGOPHPEH-VQIMIIECSA-N 369.425 0.904 0 1 FCAF CCOCCNc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205025014 LLZDQLONXZJDMO-XFFZJAGNSA-N 372.389 0.327 0 1 FCAF C[C@H](O)[C@@]1(O)CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3[C@@H](O)[C@@]2(O)C1 238764163 OLHRMWGUPWKSSC-LBKNFDRPSA-N 368.470 0.233 0 1 FCAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@H](O)C(=O)O)nc2c1 586889049 LDKXEFYFMXVYOF-UWVGGRQHSA-N 373.159 0.981 0 1 FCAF CS(=O)(=O)c1n[nH]c(-c2ccc3nc(N)c(N4CCOCC4)cc3c2)n1 1857751170 VGBYPMUUCDFOBK-UHFFFAOYSA-N 374.426 0.842 0 1 FCAF O=C1[C@H]2C[C@@H](O)CN2C2(CN(C3CCC3)C2)C(=O)N1Cc1ccccc1 2356290537 WAKIGZLFGFWQFF-IAGOWNOFSA-N 355.438 0.598 0 1 FCAF O=C(c1ccccc1)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356774917 FZCXIQKUSIIMMV-QLCXLMDBSA-N 374.345 0.189 0 1 FCAF O=C(O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1 4270612 OHUANVDWHNPCHQ-ZDUSSCGKSA-N 363.370 0.105 0 3 FCAF CO[C@@H]1[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)O[C@@H](CO)[C@H]1O 13308150 JAKAFSGZUXCHLF-SYEQVDHESA-N 363.418 0.837 0 1 FCAF N[C@@H](Cc1nc2cccc(Cl)c2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587217875 DYDUOMWUDWBYFX-WCBMZHEXSA-N 368.777 0.520 0 1 FCAF COc1cc2c3c(c1)O[C@@H](c1c(N(C)C)n(C)c(=O)n(C)c1=O)[C@@H](C2)C3=O 587437992 MQZHBZKIXWPAMG-MEDUHNTESA-N 371.393 0.647 0 1 FCAF O=C1N[C@H](CN2CCNC(=O)[C@@H]2c2cccs2)N[C@H]2CCS[C@H]12 618012046 LZLATQAYSYLNEI-RYDUCSDGSA-N 352.485 0.141 0 1 FCAF CC[C@@H]1O[C@H](n2cnc3c(NCC=C(C)C)ncnc32)[C@H](O)[C@H](O)[C@H]1O 2356285079 MIBAUVZDWWWONW-FVJJRUMPSA-N 363.418 0.595 0 1 FCAF CCO[C@@H]1O[C@H](C)[C@H](O[C@@H]2C[C@H](OC)[C@H](O)[C@H](C)O2)[C@H](OC)[C@H]1O 2356375029 NLNDFARCRMRRRE-QGQYPXJNSA-N 350.408 0.040 0 1 FCAF OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5CC[C@H]4C5)ncnc32)[C@H](O)[C@@H]1O 4475229 YKPCEENRZZBDMC-CYDCOVMPSA-N 361.402 0.038 0 1 FCAF NCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2cccnc2)nn1 8254172 CACLFKXBXQQYEN-OIISXLGYSA-N 355.446 0.159 0 1 FCAF biogenic COC(=O)CCCNC(=O)C[C@@H]1C(=O)NCCN1CC1CCCCC1 12754201 DZEDEQVMDAIYEP-OAHLLOKOSA-N 353.463 0.827 0 1 FCAF C[C@@H]1O[C@@H](n2cc(I)c(N)nc2=O)[C@H](F)[C@H]1O 26384544 GMBXABYLHJQTRF-IPFTVGSRSA-N 355.107 0.046 0 1 FCAF COCCN(c1c(C)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O 28954123 QAEGBUUUKIIAML-UHFFFAOYSA-N 361.807 0.591 0 1 FCAF NC(=O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 29467783 CYHLHUZPQKUJRA-HNNXBMFYSA-N 360.410 0.959 0 1 FCAF Cc1c(N2CC[C@@H](CCN)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 40975808 DPFMBSQJHAHCOR-LLVKDONJSA-N 361.421 0.835 0 1 FCAF Nc1nc(C2CC2)nc2c1nnn2C[C@H]1CN(Cc2ncccn2)CCO1 84690182 HPCORJNAWMFGNF-GFCCVEGCSA-N 367.417 0.372 0 1 FCAF O=C(c1ccccn1)N1CC[C@]2(CNS(=O)(=O)c3cnccc3O2)C1 299849891 JGPSYJCGGHOLIZ-INIZCTEOSA-N 360.395 0.432 0 1 FCAF Cc1cc(C)c2[nH]c(C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)nc2c1 587219744 LMMROIHWJZQRKW-QWRGUYRKSA-N 362.386 0.484 0 1 FCAF CC(C)(C)OC(=O)N[C@@H](Cc1ccc2c(O)nc(O)nc2n1)C(=O)O 587369218 FNYZKQWAGKWZDS-VIFPVBQESA-N 350.331 0.956 0 1 FCAF COc1ccc2oc(=O)cc(Cn3cnc4c(=O)n(C)c(=O)n(C)c43)c2c1 1857756412 XDTRXFITPXRPJX-UHFFFAOYSA-N 368.349 0.597 0 1 FCAF COCCNC(=S)NC[C@@H]1C[C@H]2CCN1C[C@@H]2CN1CCN(C)CC1 2356298334 ULTRDELSKQZNGY-IKGGRYGDSA-N 369.579 0.055 0 1 FCAF CC(=O)CC(=O)N1C(=O)[C@@H]2[C@H](Cc3cccc4c3[C@]2(O)C(=O)N4C)C1(C)C 2356717217 KKGFMAANSDFYDF-SLSDUTBNSA-N 370.405 0.766 0 1 FCAF CN(CC[C@@H]1CC[C@H](O)[C@H](C(=O)N2CCOCC2)O1)Cc1cccnc1 2356810260 AXUWKSHBSKAILD-OKZBNKHCSA-N 363.458 0.671 0 1 FCAF CC1(C)O[C@H]2[C@@H]3O[C@H](C(C)(C)C)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 28764486 LPIMORGOCGUXNQ-QEGBUVANSA-N 367.420 0.241 0 1 FCAF COCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccco1 82142973 ZIXCSEUYOUBFSA-UHFFFAOYSA-N 373.413 0.781 0 1 FCAF CCC(=O)N1[C@@H]2Cn3c(cccc3=O)[C@H]1[C@@H](C(=O)NC1CCC1)[C@@H]2CO 95880500 ODMJSFZXWRVOTJ-NMVRNDPTSA-N 359.426 0.417 0 1 FCAF CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H](NC(=O)c2ccc3ccccc3c2)[C@H]1O 141991094 HYWXGAWINOSGGV-QFXBJFAPSA-N 363.435 0.740 0 1 FCAF CN(C(=O)CNC(=O)/C=C/c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 198017475 AQNDZAARMFKTKX-BTKRWWFXSA-N 354.403 0.601 0 1 FCAF C[C@@H]1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@H]1[C@H]2O)[C@@]1(CO)[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3O 504243537 LIVDSGBMAPJLQG-DJPDCWFPSA-N 368.470 0.090 0 1 FCAF biogenic N=C(N)Nc1ccc(CNc2cnc3cc(C(=O)NCCO)ccn23)cc1 653780372 JCKXCPVNSZBUFV-UHFFFAOYSA-N 367.413 0.974 0 1 FCAF CC(=O)N1CCC(N2CCN3[C@H](C2)CN(S(C)(=O)=O)CC3(C)C)CC1 2356552563 UQMUNHWYRYBNHU-MRXNPFEDSA-N 372.535 0.037 0 1 FCAF CCNC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1 95908001 UOWXRGDLFUDMAF-NWANDNLSSA-N 372.418 0.315 0 3 FCAF O=C(O)CCNC(=O)[C@H]1CCCCN(C(=O)CCC2CCNCC2)C1 26404079 LRRHPVLPULZTFH-HNNXBMFYSA-N 353.463 0.986 0 1 FCAF CCc1cccc(Nc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1 36351422 GRUMNHDNZLNMIX-KDQZPGIASA-N 371.397 0.744 0 1 FCAF COC(=O)C[C@H]1C[C@@H]2c3cc(NS(C)(=O)=O)ccc3O[C@@H]2[C@@H](CO)O1 95901761 STSQWNRYWIJNCW-AEKOTVAKSA-N 371.411 0.616 0 1 FCAF COc1cccc2c1-c1c(O)cc3c(c1C2=O)[C@H](O)[C@H](O)[C@](C)(O)[C@@H]3O 2356325725 ZHKQTTFILPJNLU-ZSYWTGECSA-N 358.346 0.805 0 1 FCAF COCc1cn(C[C@@H]2C[C@H](NC(=O)Nc3ccccc3)[C@H](O)[C@@H]2O)nn1 2356395292 OETWATMIGSJMCC-KSYCFECVSA-N 361.402 0.357 0 1 FCAF C[C@@H]1C[C@H](O)CC(C)(C)[C@@H]1CC[C@H](CO)O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O 2356438432 FSMSNKQMSSKYBN-PNSKRBBTSA-N 362.463 0.016 0 1 FCAF N=C(N)NCCCc1cn(CC(=O)N[C@@H](CC(=O)O)c2ccccc2)nn1 142196772 YVGFDNFQFUSINK-AWEZNQCLSA-N 373.417 0.026 0 1 FCAF Nc1ccn([C@H]2CS[C@H](COC(=O)NCCCCCCO)O2)c(=O)n1 26495187 MXQVIXOVEZOPHL-CHWSQXEVSA-N 372.447 0.693 0 1 FCAF NCCCCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO 29565663 WGYIPTWJEOFZSQ-INIZCTEOSA-N 362.430 0.653 0 1 FCAF Cc1c(N2CC[C@@H]([C@@H](C)N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 34055263 SMONLCFJGCJROJ-GHMZBOCLSA-N 361.421 0.833 0 1 FCAF COc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CC(=O)O)O[C@H]2CO)cc1 95906551 JTWZAMNSSOCUJO-YUTCNCBUSA-N 359.400 0.357 0 1 FCAF Cc1c(C(=O)N2CCC3(CC2)COC3)cnn1-c1nc(=O)c2cccn2[nH]1 1857583736 SSLTUEHFLVNQIN-UHFFFAOYSA-N 368.397 0.769 0 1 FCAF COC(=O)c1cccc2c1=C(O)C1=c3[nH]c4cccc(OC)c4c3=CCN1C=2 2356820039 FHNXDBAZCVBSGF-UHFFFAOYSA-N 374.396 0.285 0 1 FCAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@@H](NC(=O)c4ccc(C)cc4)CO[C@@H]32)nn1 2356862500 VBOVIXFWDIGPMH-ZJIFWQFVSA-N 372.381 0.510 0 1 FCAF CN[C@H]1C[C@H]2c3cc(N4CCN(C)CC4)ccc3CCN2C(=O)[C@H]1[C@H](C)O 61923981 MHZPUYWWIWJLST-DSYPUSFNSA-N 372.513 0.853 0 3 FCAF NC(=O)N[C@H]1[C@@H](C(N)=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 1625720 BLYMWRSCLIWUIL-NVXWUHKLSA-N 367.409 0.973 0 1 FCAF CCc1cccc(Nc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1 28018613 GRUMNHDNZLNMIX-OGIUKLMXSA-N 371.397 0.744 0 1 FCAF CCNC(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 95906410 BFCNITPYXPLZBL-VNQPRFMTSA-N 370.471 0.708 0 1 FCAF CC(=O)[C@]12[C@H]3[C@@H]4[C@H]1[C@H]1[C@H]([C@@H]3[C@]4(Br)C13OCCO3)C21OCCO1 195234541 FCTNJUJIKYLXCW-LNCWTVSLSA-N 369.211 0.947 0 1 FCAF O=C1NC(=O)C(C(=O)Nc2ccc(I)cc2)C(=O)N1 1772655769 FHPCWRYVVFDXQB-UHFFFAOYSA-N 373.106 0.212 0 1 FCAF O=C(NCc1ccco1)[C@@H]1CN2CC[C@H]1C[C@H]2Cn1cc(CCO)nn1 2356298554 KPUMDYCVWZVXFO-JLJPHGGASA-N 359.430 0.433 0 1 FCAF CC(C)CN1CCC[C@H](O)[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 2356814083 BXIORADPXIWTNS-IRXDYDNUSA-N 363.458 0.762 0 1 FCAF COC(=O)CO[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3ccc(N(C)C)cc3)CO[C@H]12 3841696 QBKFOSCBVXIAOL-XOSAIJSUSA-N 364.398 0.207 0 1 FCAF biogenic O=C(O[C@H]1CN2CCC1CC2)[C@](O)(CN1CCNCC1)c1ccccc1 26837200 WOMHAQOLTVZVJK-ICSRJNTNSA-N 359.470 0.417 0 1 FCAF CC[C@@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(CC(=O)OC)c2=O)N1 82207420 YGBJUUKMZDSPBG-GFCCVEGCSA-N 374.397 0.705 0 1 FCAF CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)C1CC1 95879224 UCDQZUSFXVPIHC-IRWJRLHMSA-N 359.426 0.275 0 1 FCAF COc1ccc(CC(=O)NCC(=O)N(C)C2CCS(=O)(=O)CC2)cc1 205236743 NJFBAFVTJKXINJ-UHFFFAOYSA-N 368.455 0.390 0 1 FCAF C[C@@H]1C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@@H](O)C(=O)[C@H]2[C@]31C 255222265 KBORUIMKALHADL-VQLAGYIISA-N 366.454 0.908 0 1 FCAF CCO[C@@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](OC)[C@@H]2O)[C@@H](C)O1 2356535951 LYTHASQZLYCEJZ-BXDYTPBASA-N 350.408 0.040 0 1 FCAF COc1ccc(C=CC(=O)O[C@H]2[C@@H](OC(C)=O)[C@@H](O)[C@@H](C)O[C@H]2O)cc1 2356643716 CGTSPIFRZLFPQQ-LGGLKNIISA-N 366.366 0.650 0 1 FCAF C[N+]1=C(N)NC2=C3CCCC[C@@H]3n3c(=O)n(-c4ccccc4)c(=O)n3[C@H]2C1 203471389 UVQCLDTXQJXOOW-GJZGRUSLSA-O 367.433 0.285 0 3 FCAF O=C(CCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1)NC12CC3CC(CC(C3)C1)C2 14967791 SOTQIIBUGHONKZ-WEUZRQAKSA-N 366.502 0.498 0 1 FCAF O=S(=O)(NCCNC[C@H](O)COc1ccc(O)cc1)c1ccccc1 26981485 UHDPPLUSBWJEPT-HNNXBMFYSA-N 366.439 0.700 0 1 FCAF CC[C@@H](C)[C@H](C(=O)OC)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1 103188773 IPFLGPAKNSFGLL-GHMZBOCLSA-N 360.436 0.949 0 1 FCAF OCCn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1 144179945 HNVLBGNNYXOXLM-UHFFFAOYSA-N 361.369 0.773 0 1 FCAF O=C(NC1(CO)CCCC1)c1nn(-c2c[n+]([O-])ccn2)c2c1C[C@@H]1C[C@H]21 1857749092 FHKXFBYBXVWHFJ-RYUDHWBXSA-N 355.398 0.595 0 1 FCAF O=C(NCc1ccccc1)[C@@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1 2356610507 NIWMRDRVLDRPEA-CGTJXYLNSA-N 355.442 0.797 0 1 FCAF O=C(NCCO)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 2492792 UQFWZTLXWGIHGZ-DOTOQJQBSA-N 370.409 0.385 0 1 FCAF NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 17375837 QJVFWNHLKIAQAW-MRXNPFEDSA-N 371.393 0.831 0 1 FCAF CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccc(OC)c(OC)c1 169353656 WKHWLWLJZZVBMX-KGLIPLIRSA-N 363.370 0.546 0 1 FCAF C[C@@H]1S[C@H](O[P@](=O)(O)OCc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O 253633689 LMVMTILZHMGOKP-ODSNKANHSA-N 350.329 0.864 0 1 FCAF CC(=O)N1CCC(N[C@@H]2CO[C@@H](CNC(=O)c3ccccc3)[C@@H]2O)CC1 2356287610 MJKYTIALISUBJQ-FGTMMUONSA-N 361.442 0.145 0 1 FCAF CC[C@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](OC(C)=O)[C@H]12)[C@@H](C)O 2356329987 NRKGCBYQDMTQRF-ZOSLDDFPSA-N 355.431 0.634 0 1 FCAF Cc1cn([C@H]2C[C@H](O)[C@@H](/C=C/C(=O)NCCC(C)C)O2)c(=O)[nH]c1=O 199374310 AQCGJGWFNBJLML-LGYHGODRSA-N 351.403 0.212 0 3 FCAF C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H]1O 13610743 JUXMUHRFAKKIRP-KBEZCGTCSA-N 371.397 0.440 0 1 FCAF O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1OCCN1CCN(c2ncccn2)CC1 13671665 BKUHRNRFWGGTNN-GEEKYZPCSA-N 369.425 0.337 0 1 FCAF CC1=CC(=O)N(CCN2CCN(c3cccc4c3OCCO4)CC2)C1=O 13743926 SRXKQPHJRBDQDO-UHFFFAOYSA-N 357.410 0.895 0 1 FCAF COC(=O)/N=c1\[nH]c2ccc(C(=O)N3CCN(C(=O)N(C)C)CC3)cc2[nH]1 27622873 ZWSBRKFQOCZSRD-UHFFFAOYSA-N 374.401 0.603 0 1 FCAF COc1ccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc(N)c23)cc1 72106360 FRHOOCXQYQVLGW-SCFUHWHPSA-N 372.381 0.301 0 1 FCAF COCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@H](C)N2 82206967 NATYYLZSXKJLMK-NSHDSACASA-N 374.397 0.781 0 1 FCAF CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1C(=O)CC1CC1 95880703 ONXGFLUTNUUHKQ-QAMTZSDWSA-N 373.453 0.665 0 1 FCAF CCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccc(OC)cc2)O[C@H]1CO 95908171 XXVQYUMJVNBNLA-ZACQAIPSSA-N 362.426 0.912 0 1 FCAF CCN(CC)C(=O)n1cnc(S(=O)(=O)[C@H](CC(C)C)C(=O)OC)n1 103188766 LTFDMFSNLWOYFW-LLVKDONJSA-N 360.436 0.949 0 1 FCAF C[C@H](Oc1ccc([C@@H](O)[P@](=O)(O)CC[C@@H](N)C(=O)O)cc1)C(=O)O 148985808 APKUZALKBDSBHZ-UPLXVJCVSA-N 361.287 0.602 0 1 FCAF CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)NC2CCCCC2)[C@H]3C1=O 169689937 QSEMSDJEVDJLHY-RGPZOAQRSA-N 362.426 0.780 0 1 FCAF CCO[C@@H]1C[C@@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](OC)[C@H]2O)[C@@H](C)O1 238766556 LYTHASQZLYCEJZ-ORNMZJKJSA-N 350.408 0.040 0 1 FCAF CC1=C(CC[C@@H](C)O)C(C)(C)C[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1 257554267 UJRMJTIXXKZFGB-IKKBYIMVSA-N 374.474 0.469 0 1 FCAF endogenous,in-man N[C@@H](Cc1nc2cc(F)cc(F)c2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587220839 OCXUXHVADLMXQV-DTWKUNHWSA-N 370.312 0.145 0 1 FCAF N[C@H](CC[P@](=O)(O)[C@H](O)c1ccc(SCC(=O)O)cc1)C(=O)O 1772601123 IMWRUEZSFIGPIN-MFKMUULPSA-N 363.328 0.927 0 1 FCAF CC1=C(CC[C@@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)[C@@H](O)CC1 2356569189 ROTRZDNJZBPLJO-WTTFIZOPSA-N 374.474 0.469 0 1 FCAF CC[C@H](C)[C@H](O)C=CC=C[C@@H]1O[C@](C)(O)[C@H](O)[C@@H]2[C@H](O)[C@H](O)C=C[C@@H]12 2356841406 NIGLUNSGMCEPLF-YFOXYWKBSA-N 354.443 0.498 0 1 FCAF O=c1nc(N2CCOCC2)oc2cc(OCCN3CCOCC3)ccc12 28713187 OODGDUZURNTNPE-UHFFFAOYSA-N 361.398 0.736 0 1 FCAF O=C(O)CCCCC(=O)OC[C@H]1CC[C@@H](n2cnc3c(=O)[nH]cnc32)O1 45298782 WONBIWPGACYCMM-MNOVXSKESA-N 364.358 0.985 0 1 FCAF CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C)CC3)nc1-2 45375071 JTBKKRJVWPHUOO-UHFFFAOYSA-N 355.446 0.841 0 1 FCAF COC[C@@]1(C)O[C@@](C)(n2cnc3c(Cl)nc(N)nc32)[C@](C)(O)[C@@]1(C)O 95535441 XKRFLXDKZNEDAS-LXTVHRRPSA-N 371.825 0.672 0 1 FCAF O=C(C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CC1 95794565 PPIWCRMZBWEMRU-BZUAXINKSA-N 354.447 0.354 0 1 FCAF COCCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 95903450 VDLCDRUTPXRABM-XHSDSOJGSA-N 369.462 0.456 0 1 FCAF CN(C)C(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 95908052 ACJRMYKVRUMDSA-SNPRPXQTSA-N 354.428 0.128 0 1 FCAF N=c1[nH]c2nc(CCc3ccc(S(N)(=O)=O)cc3)nc-2c(Cl)[nH]1 586930854 ZXQNCTDQKVEPRL-UHFFFAOYSA-N 352.807 0.803 0 1 FCAF NC(=O)CN1C(=O)CO[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]21 2356286064 NVRNWNJCBJNQPW-STQMWFEESA-N 357.332 0.602 0 1 FCAF COC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccccc2F)[C@@H](CO)O1 95676617 CZGVFFSNBHAYON-WCFLWFBJSA-N 359.375 0.352 0 3 FCAF CN1CCC(N2CCN([C@H]3CN(C4CCCC4)S(=O)(=O)C3)CC2)CC1 96021079 WUZWDKZDZDOIFY-SFHVURJKSA-N 370.563 0.655 0 3 FCAF C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3n(C)cc[n+]3C)[C@H](C)[C@H]12 27705420 SAKUSHQKFLYAAS-RBLKWDMZSA-O 352.436 0.237 0 1 FCAF CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]2[C@@]1(O)[C@H]3O 40424530 HVRXIIBZQVCBAF-UGHGSSRZSA-N 358.394 0.576 0 1 FCAF Nc1ccnc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 586940994 AZGZGPNXZZODPK-UHFFFAOYSA-N 361.383 0.790 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(O)cc2[nH]1 587220042 MJHAXJFMWXGMFA-PSASIEDQSA-N 350.331 0.093 0 1 FCAF CCOCCN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@@H]1n1nc(CC)cc1CC 618013417 YHPNXZSGXYOHGF-LZWOXQAQSA-N 364.450 0.282 0 1 FCAF C[C@@H]1O[C@@H]2NCNC(=O)[C@H]2[C@@H]1C(=O)N(C)Cc1nc2ccccc2s1 618014895 ABOMBRYNQBURDU-JBTNIPSDSA-N 360.439 0.909 0 1 FCAF COc1ccc(Cn2cc(C(=O)NCCN)nn2)cc1Br 653788023 MRZXQJHFLLFIHD-UHFFFAOYSA-N 354.208 0.786 0 1 FCAF COCCNC(=O)[C@@H]1CCC[C@H](NC(=O)C(C)(C)C)CN(C)C(=O)C1 2356315257 HWUBSUNDXRYOLI-KGLIPLIRSA-N 355.479 0.929 0 1 FCAF CN(CCc1ccccn1)[C@@H]1[C@H](CNC2CCCCC2)O[C@H](CO)[C@H]1O 2356861672 ULNYZSQQGAUODV-MTQWCTHYSA-N 363.502 0.967 0 1 FCAF O=P(O)(O)C(O)(Cc1cccc(Br)c1)P(=O)(O)O 13673744 YCSAMIGERDZRCB-UHFFFAOYSA-N 361.021 0.993 0 1 FCAF COC(=O)CN(CCn1cnc2c(N)ncnc21)C(=O)OC(C)(C)C 13860019 NJIXLQDMFHDXBN-UHFFFAOYSA-N 350.379 0.819 0 1 FCAF NC[C@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2Cl)C1 28884627 KHTSEDLVGMSKAJ-MRVPVSSYSA-N 367.812 0.789 0 1 FCAF COC(=O)[C@H](CCC(N)=O)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C 66100498 SYJWKQXGCYCUHA-GJZGRUSLSA-N 359.426 0.799 0 1 FCAF CC(C)NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO 95908204 DMROSRCUXVWXJU-ARFHVFGLSA-N 371.478 0.535 0 1 FCAF COc1cc(O)c2c(c1)[C@@]13O[C@@]4(C)C[C@@](O)(C(=O)C[C@@]1(C)O4)[C@H]3OC2=O 2356326290 WLKHTSIFYKYELK-SFFUCWETSA-N 362.334 0.764 0 1 FCAF CC(=O)CC(=O)N1C(=O)[C@@H]2[C@@H](Cc3cccc4c3[C@]2(O)C(=O)N4C)C1(C)C 2356717214 KKGFMAANSDFYDF-ADYAMRHXSA-N 370.405 0.766 0 1 FCAF COCc1cc(C[C@@H]2CC[C@@H](O)[C@@H](CNC3CCN(C)CC3)O2)no1 2356744774 IHXNMOSSSRYEMY-CGTJXYLNSA-N 353.463 0.956 0 1 FCAF CC[C@H](NC(=O)C1=C[C@H](Oc2ccc(C)c(C)c2)[C@H](O)[C@H](O)C1)C(N)=O 36354773 KXGCGMQQWOQRHF-VVLHAWIVSA-N 362.426 0.483 0 1 FCAF biogenic C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)[C@H]2N1C(=O)CC 100142247 VUEPDZSWVCRMPE-VBCDKOHKSA-N 360.410 0.955 0 1 FCAF Cn1c(=O)c2c(n(C)c1=O)n1c(SCc3ccccc3)nnc1n2C 1866627 FEOXJKVYINPUGK-UHFFFAOYSA-N 356.411 0.911 0 1 FCAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(COC(=O)c3cccnc3)S[C@H]12 26258081 YTJJOUFINPVXSX-LIEFSGRHSA-N 350.352 0.447 0 1 FCAF C[C@@H]1CN(c2ncccn2)CCN1c1nc(-c2ccncn2)cc(=O)n1C 199954869 PDAMQBJFPJPVSK-CYBMUJFWSA-N 364.413 0.742 0 1 FCAF CC(C)C[C@H](NC(=O)[C@H](CCCN)NC(=O)Cc1ccccc1)C(N)=O 1911584331 HBCLJTYMJHQCRV-HOTGVXAUSA-N 362.474 0.469 0 1 FCAF COc1cc([C@@H]2CS[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O2)cc(OC)c1O 2356675763 DEKBHIICOGMPTO-XSGJJDMVSA-N 374.411 0.022 0 1 FCAF Nc1nc(=O)n([C@H]2CS[C@H](CO)O2)cc1I 6524227 DPXBMYJQASAVRO-PHDIDXHHSA-N 355.157 0.011 0 1 FCAF C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC3=NCCCC3)C[C@H]12 27524527 KAQOBEQVWWRBBG-OPQQBVKSSA-N 353.444 0.799 0 1 FCAF CC(=O)N1[C@@H]2Cn3c(cccc3=O)[C@H]1[C@@H](C(=O)NC1CCCC1)[C@@H]2CO 95881536 RWDQACDHOIJVRL-WCZJQEMASA-N 359.426 0.417 0 1 FCAF CC(=O)Nc1ccc2c(c1)B(O)N(S(=O)(=O)c1ccc(C)cc1)N=C2 195114519 JRHWFRMXVFLTRL-UHFFFAOYSA-N 357.200 0.679 0 1 FCAF CNS(=O)(=O)N1CCC(c2nc3cc(C(=O)OC)ncc3[nH]2)CC1 586956208 ZLVVDMGZDDAQNO-UHFFFAOYSA-N 353.404 0.388 0 1 FCAF CNC(=O)[C@H]1C[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587235183 MSXHLJJAFFRWCT-NEPJUHHUSA-N 364.427 0.433 0 1 FCAF Cc1cc2n(c1Br)[C@@H]1C[C@]3(O)[C@@H](NC(=O)N3C)[C@@H]1NC2=O 653728733 YZWTUIUIUAGPRN-SKNMHBRKSA-N 355.192 0.328 0 1 FCAF COC(=Cc1ccc(O)cc1)C(=O)NC(=N)NCCC[C@@H](N)C(=O)O 2356704414 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O=C1C2=N[C@@H]3C[C@]45C(=C[C@@H](O)[C@H]([C@@H]4O)[N+]4=C(c6c(c[nH]c61)CC4)[C@@H]25)S3 169723185 SRTGJTCYSFSMJV-IZDDXLKKSA-O 354.411 0.090 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(F)cc(F)c2[nH]1)C(=O)O 587222886 UXFOROXZMSLQAR-IUCAKERBSA-N 370.312 0.145 0 1 FCAF CSC[C@@H]1NC(=O)[C@@H]2[C@H](N1)S[C@H](C(=O)N=c1cc[nH]cc1)[C@@H]2C 618014472 RATJZGYBQMMOFG-GTZUYCOMSA-N 352.485 0.544 0 1 FCAF CO[C@@H]1CC(=O)[C@H](C)OC(=O)C[C@H](C)OC(=O)C=C[C@@H](O)[C@H](C)OC1=O 2356661996 YDSGABQYSNZCFX-ZXPJVPCYSA-N 372.370 0.077 0 1 FCAF O=C(O)C[C@@H]1CCN(C(=O)N2CCOCC2)C[C@H]1CCN1CCOCC1 2356855106 QZDZTFHRUVHEAJ-JKSUJKDBSA-N 369.462 0.574 0 1 FCAF O=C1NCCN(Cc2ccoc2)[C@@H]1CC(=O)N(CCO)Cc1ccccc1 59830220 MBXPLGXINQJUJK-GOSISDBHSA-N 371.437 0.991 0 3 FCAF COC(=O)[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C1CCNCC1 5398396 RVEIWNJZLOMZKL-INIZCTEOSA-N 359.426 0.512 0 1 FCAF biogenic O=P(O)(O)C(O)(C[n+]1cccc(Cc2ccccc2)c1)P(=O)(O)O 13643031 LMXLIUVKPWDEGJ-UHFFFAOYSA-O 374.246 0.566 0 1 FCAF Cc1ccc(N2C(=O)N[C@@H]3CCN(C(=O)COCC(=O)O)[C@H]3C2=O)cc1 25229504 KTLMVSPFQZJNBE-IUODEOHRSA-N 361.354 0.122 0 1 FCAF biogenic COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 95893863 QRIOIJZLWQLTSC-AOIWGVFYSA-N 374.437 0.762 0 1 FCAF COC(=O)C[C@@H]1C[C@H]2c3cc(NS(C)(=O)=O)ccc3O[C@H]2[C@@H](CO)O1 95901756 STSQWNRYWIJNCW-PNEXNCLXSA-N 371.411 0.616 0 1 FCAF COc1cccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 587220184 NBLIXZKDPDVHMB-SCZZXKLOSA-N 364.358 0.396 0 1 FCAF CNC(=O)[C@@H](c1ccccc1)N1CCC[C@@H]1C(=O)N1CCN(C(C)=O)CC1 2356629021 OQXCBUIJKDAHMN-QZTJIDSGSA-N 372.469 0.629 0 1 FCAF COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)O[C@H](C[C@@H](C)O)C[C@H]3O 15204300 ZCGCJXOIYGMTSC-BWZBUEFSSA-N 350.323 0.963 0 1 FCAF biogenic O=C(CNC(=O)c1coc(-c2cccs2)n1)N[C@@H]1CCCCNC1=O 82084799 SQRSQHCLFLDPMM-SNVBAGLBSA-N 362.411 0.918 0 1 FCAF O=C(O)C(=O)Nc1cc(C[S@@](=O)O)cc(NC(=O)C(=O)O)c1Cl 169319926 BNOKEPMLYMOFOC-UHFFFAOYSA-N 364.719 0.108 0 1 FCAF C[C@@H]1OC[C@H]2[C@@H]3N(C(=O)CO)c4ccccc4[C@@]34CCN3C[C@@H]1[C@@H]2C[C@]34O 238751925 PUJOYKKZYBTUSK-VXSBKBCVSA-N 370.449 0.711 0 1 FCAF Cc1nc(-c2cnn3c2CN(C[C@H]2CCC[C@H]2O)CC3)c2c(=O)nc[nH]n12 1772627878 OTGWXKUTFIPMEB-IUODEOHRSA-N 369.429 0.566 0 1 FCAF CC[C@@H]1C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3C[C@@H](C[C@@H]23)OC1=O 2356708988 KPGAEUHVWSKRCA-XSRJWPIFSA-N 353.415 0.245 0 1 FCAF C[C@H](C(=O)N1CCN(c2ccccn2)CC1)n1ncn2cccc2c1=O 6799667 WRZLPKGPJWCVAC-CQSZACIVSA-N 352.398 0.801 0 1 FCAF C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNc3cccc[n+]3C)C[C@H]12 27524525 BTSKPASWFNDISM-MISXGVKJSA-O 364.447 0.564 0 1 FCAF O=C(Nc1ccn([C@H]2C[C@@H](F)[C@@H](O)[C@@H](CO)O2)c(=O)n1)c1ccccc1 49072203 JDMVJAAWOFCRPK-QHSBEEBCSA-N 363.345 0.474 0 1 FCAF COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cs2)cc1 84635756 YXZAEDBGQFQEPA-SFFUCWETSA-N 366.435 0.862 0 1 FCAF CC(C)NC(=O)N[C@H]1CC[C@@H](CC(=O)NCCN2CCCC2)O[C@@H]1CO 95907489 FTIYXGGJAAWHHL-HRCADAONSA-N 370.494 0.205 0 1 FCAF 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NC(=O)C[C@H](NC(=O)c1ccc(N)c(OCc2ccc(O)cc2)c1)C(=O)O 84756846 ORWXZXXBFLYJQD-AWEZNQCLSA-N 373.365 0.612 0 1 FCAF COCCNC(=O)C[C@H]1CC[C@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 95903460 ZLYKEDBTDDZFNH-QLFBSQMISA-N 357.451 0.289 0 1 FCAF N[C@@H](Cc1cnc[nH]1)C1=N/C(=C/c2ccc(O)cc2)C(=O)N1CC(=O)O 199912462 FIDPOCJZDAHCBZ-XJHOQXEQSA-N 355.354 0.352 0 1 FCAF in-vitro COC(=O)[C@]1(O)[C@H](O)[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 238746813 CSEDGMWEUVRNCN-FOHMRKQQSA-N 368.433 0.792 0 1 FCAF CC[C@@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@@H](C)[C@H]1O)[C@@H]23 238771650 OCAOOBJUECMHHK-IAJCOIQZSA-N 353.415 0.244 0 1 FCAF Cn1nccc1CS(=O)(=O)Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1 586923756 ULSRMGFCGAKQIU-UHFFFAOYSA-N 368.440 0.815 0 1 FCAF Cc1nn(C)c(C)c1[C@H]1[C@@H](CN=c2[nH]ccn3cnnc23)CC(=O)N1C 1857594529 IHCVXGLOJGFAIA-IUODEOHRSA-N 354.418 0.528 0 1 FCAF C[C@H](O)[C@H](C=C[C@@H]1O[C@@H]2C=CC(=O)O[C@@H]2[C@@H]1O)OC(=O)c1ccccc1 2356429448 VCEHKGMNWZSLKE-KKAMRSACSA-N 360.362 0.759 0 1 FCAF CCO[C@@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](OC)[C@H]2O)[C@H](C)O1 2356535952 LYTHASQZLYCEJZ-GFVXECPYSA-N 350.408 0.040 0 1 FCAF C[C@H](N)C(=O)N[C@@H]1CC[C@H]2CC[C@@H](C(=O)NCCc3ccccc3)N2C1=O 28384868 YTLXVGUAOHXKBQ-LLLHUVSDSA-N 372.469 0.331 0 1 FCAF O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(S(=O)(=O)N2CCCC2)cc1 60021382 OZACSBBVZJZQEF-FZKCQIBNSA-N 374.418 0.914 0 1 FCAF O=C1C(Cl)=C(N2CCN(CCO)CC2)C(=O)N1c1ccc(Cl)nc1 64708138 SBPRZJJTBXQMSY-UHFFFAOYSA-N 371.224 0.669 0 1 FCAF COC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(OC)cc2)[C@@H](CO)O1 95675425 QXJDCVBLBQBSAR-BPLDGKMQSA-N 371.411 0.221 0 1 FCAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)NC[C@@H]1COc2ccccc2O1 195428826 HLMZWNBZCZZZRY-UGXSIPOYSA-N 368.389 0.750 0 1 FCAF COC(=O)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]2O)cc1 257531032 RHLFBIFJRZNCRZ-OUSDRQIFSA-N 369.370 0.320 0 1 FCAF endogenous,in-man NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cnc(Cl)[nH]c-3n2)c1 586937365 ZCXOSXBKKHHVQT-UHFFFAOYSA-N 366.790 0.389 0 1 FCAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587202600 DVIPXQXAJAXTMC-LBPRGKRZSA-N 359.386 0.973 0 1 FCAF CCC=C(C)[C@H](O)[C@H](C)C(=O)NCC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)OC 2356319178 KSWFSVVSYOJJQX-IICXDKKESA-N 357.447 0.831 0 1 FCAF O=C1CC[C@@]2(O)c3ccc(O)c4c3[C@H](c3ccc(O)c1c32)[C@@H](O)[C@H](O)C4=O 6092294 SINSSMRHIAXSGD-PBDPQADMSA-N 368.341 0.674 0 1 FCAF COCCN1CCC[C@](O)(CN2CCN(Cc3ccncc3)CC2)C1=O 67787446 PBCMPIXCYZJPEH-IBGZPJMESA-N 362.474 0.199 0 1 FCAF O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1cnccn1 95675486 DHOFHCIZNIPSHR-OFQRWUPVSA-N 362.430 0.421 0 1 FCAF Cn1c(=O)n(CCOC(=O)CNC(=O)c2ccco2)c(=O)c2ccccc21 96934413 WMLRZPTYVLLYBX-UHFFFAOYSA-N 371.349 0.266 0 1 FCAF OC[C@@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5CC[C@@H]4C5)ncnc32)[C@H](O)[C@@H]1O 100650253 YKPCEENRZZBDMC-KPHDTSAESA-N 361.402 0.038 0 1 FCAF C[C@H]1CC[C@]2(O)[C@H]1C[C@H]([C@@](C)(O)COS(=O)(=O)O)CC[C@@]2(C)O 238738758 WGZJGSMZQTWTSO-HGPDSQILSA-N 352.449 0.885 0 1 FCAF CN1C(=O)[C@]2(c3ccccc31)[C@H]1[C@@H]3[C@H]4CO[C@@H]2C[C@@H]4[C@]1(CO)CN3C#N 299816043 PFHIZEOQCBBUAK-FYQMAZNKSA-N 351.406 0.709 0 1 FCAF CCNC(=O)CCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587230479 KYEJLYWVDNWJRB-UHFFFAOYSA-N 373.457 0.382 0 1 FCAF CN(C)S(=O)(=O)c1ccc(NCc2cn(C/C(F)=C/CN)nn2)cc1 1857565935 PLIIALDOCUZCHG-GHXNOFRVSA-N 368.438 0.953 0 1 FCAF CC(=O)OCC1=C2C(=C[C@]3(C)CC[C@@](O)(O3)[C@](C)(O)C[C@@H]2O)OC1=O 1857763223 VXLRPFBAXXIUFB-IAOMBJDPSA-N 354.355 0.060 0 1 FCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCC3)[C@@H](O)[C@H]2O1)N1CCC(F)(F)C1 2356289821 AKMBESJYOXQBRH-CNBXADPUSA-N 360.401 0.672 0 1 FCAF COc1ccc(C(=O)NC[C@@]2(COc3cnccn3)C[C@H](O)[C@H](O)C2)cc1 2356298390 ALVXSIIJPGOYHE-MNZLEMJZSA-N 373.409 0.796 0 1 FCAF Nc1nc(NC2CC2)c2ncn(C[C@@H]3CC[C@@H](P(=O)(O)O)O3)c2n1 26839022 GUXXJGMYOVVLST-DTWKUNHWSA-N 354.307 0.666 0 1 FCAF O=C(C[C@@H]1CC[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCC(F)(F)F 95676556 KNGQQLYZZKCBQO-SDDRHHMPSA-N 352.353 0.880 0 1 FCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNCc3ccncc3F)[C@H](O)[C@H]2O1)NC1CC1 2356621008 LGPJBBJIJHIQHO-UIVXMWCNSA-N 365.405 0.265 0 1 FCAF O=C([C@H]1CSCN1)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 25430815 SCVOYGUZLDPOSG-KGLIPLIRSA-N 360.439 0.324 0 1 FCAF biogenic C[C@@H](CNC(=O)[C@H]1CCCN(C(=O)CCC2CCNCC2)C1)C(=O)O 26473556 NSKHJISEZNFHIJ-ZFWWWQNUSA-N 353.463 0.842 0 1 FCAF CCCCCOC(=O)CCC(=O)/N=c1/sc(S(N)(=O)=O)nn1C 53151299 BTAFMDAYCJGKJK-SDNWHVSQSA-N 364.449 0.070 0 1 FCAF C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@@H]23 59720984 NPYPUYCITBTPSF-PUEFMWKWSA-N 351.399 0.164 0 1 FCAF CC(=O)N[C@@H]1[C@H](O[C@H](C)C(=O)O)[C@H](OCc2ccccc2)[C@H]2CO[C@@H]1O2 64539086 FMBNZACFIBXRDQ-CBHUJMPHSA-N 365.382 0.690 0 1 FCAF COC(=O)NCc1ccc(O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@H](O)[C@@H]2O)cc1 85877397 RHLFBIFJRZNCRZ-WEFBFVBLSA-N 369.370 0.320 0 1 FCAF in-man O=C(NC1CCCC1)N[C@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO 95903490 HXDRGRNUAHHKIF-JYJNAYRXSA-N 369.462 0.386 0 1 FCAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1OCCN1CCN(c2ncccn2)CC1 195121155 BKUHRNRFWGGTNN-FPCVCCKLSA-N 369.425 0.337 0 1 FCAF COC(=O)c1ccnc2[nH]c([C@@H](C)NS(=O)(=O)c3cnn(C)c3)nc12 586938999 MJPHYCRLGNGYHK-MRVPVSSYSA-N 364.387 0.518 0 1 FCAF COc1ccc(N(C)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c(OC)c1 3907403 BWJVORZVGNVZOR-UHFFFAOYSA-N 355.372 0.214 0 3 FCAF COC(=O)c1ccc(CNC(=O)Cn2nnnc2CN(C)C(C)C)cc1 12725745 KOLKJVVXDLTLAQ-UHFFFAOYSA-N 360.418 0.616 0 3 FCAF CC1(C)O[C@@H]2O[C@@H]3[C@H](CNCCO)O[C@H](c4ccccc4)O[C@H]3[C@@H]2O1 254129649 WNXSLSQRNSYQQJ-VBYGDGQVSA-N 351.399 0.928 0 3 FCAF C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CCCN2)CC1)C(=O)O 15970403 HBNDVLRWQFJVKS-GOEBONIOSA-N 373.453 0.888 0 1 FCAF biogenic CC[C@@H]1C(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)N(C)CC(=O)O 27631041 DKQIVUKDLNNDLA-JSGCOSHPSA-N 368.411 0.464 0 1 FCAF COc1cccc(-c2cn([C@@H]3[C@@H](O)[C@H](SC)O[C@H](CO)[C@@H]3O)nn2)c1 38267401 VXZXUUFEIKWWBF-CWVYHPPDSA-N 367.427 0.297 0 1 FCAF CCS(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1 95903495 IXJDFDNJRKUFSR-QLFBSQMISA-N 362.492 0.531 0 1 FCAF C[C@H]1COCCN1S(=O)(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 169315741 WSIVMCNNEMLUCO-QMMMGPOBSA-N 354.837 0.397 0 1 FCAF CC1(C)[C@H](O)C[C@@H]2[C@@]1(O)[C@@H](O)C[C@@]13C[C@](C)(O)[C@@H](CC[C@@H]1[C@@]2(C)O)[C@H]3O 238769344 BWMFRQKICHXLSH-MPZJSBFOSA-N 370.486 0.168 0 1 FCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3ncccc3C)[C@@H](O)[C@H]2O1 2356301457 IXYPZCDHHWNSDS-GJSASXELSA-N 363.458 0.682 0 1 FCAF NCc1cn(C[C@@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2cccnc2)nn1 2356814322 CACLFKXBXQQYEN-PVAVHDDUSA-N 355.446 0.159 0 1 FCAF CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccccc1 61949198 PGDYXMVGRSRBFX-ZYKCCNLVSA-N 355.394 0.363 0 3 FCAF Nc1nc(CC(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(Cl)CS[C@@H]23)cs1 26151933 FXNJFBGXXJAMQB-XCBNKYQSSA-N 374.831 0.203 0 1 FCAF Cc1ccc(S(=O)(=O)n2ccc(CN(C)CC(=O)O)c(O)c2=O)cc1 96173251 SUGKSHMYQZJYRO-UHFFFAOYSA-N 366.395 0.616 0 1 FCAF CCOC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O 13863892 BCRRZUTYWZJGKE-LSCFUAHRSA-N 363.418 0.837 0 1 FCAF C[C@@H]1S[C@@H](O[P@@](=O)(O)OCc2ccccc2)[C@@H](O)[C@@H](O)[C@H]1O 40440132 LMVMTILZHMGOKP-DUIQVVMOSA-N 350.329 0.864 0 1 FCAF CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCN)cs1 82071140 NNUFZFMAZSJSDW-NSHDSACASA-N 374.488 0.133 0 1 FCAF CCC(=O)N[C@H]1CC[C@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO 95676362 FOYMHNRGVNUWHD-PMPSAXMXSA-N 355.479 0.413 0 1 FCAF O=C(Cc1ccccn1)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO 95906344 ZBZATYGIRVPWKB-OKZBNKHCSA-N 373.453 0.827 0 1 FCAF CC(C)[C@@]1(c2nc(N)nc(N)n2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963025387 JYBNFPYPKVMRCB-XTZNXHDOSA-N 353.430 0.989 0 1 FCAF COc1cc(O)c2c(c1C)[C@H](C)[C@](O)(CSC[C@H](O)C(=O)O)OC2=O 1857749643 LRFLSZUUMSTQQS-ACZUWMGVSA-N 372.395 0.850 0 1 FCAF CCCCN1C(=O)[C@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1=O 2356654831 LUAPRRXFAJZXMV-HZPDHXFCSA-N 358.442 0.240 0 1 FCAF O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@@H](NCc3ccc(F)cc3)CN21)NC1CC1 2356826303 HIMCTDNIYDGQLG-KURKYZTESA-N 374.460 0.915 0 1 FCAF c1cc2c(cc1-c1nnnn1[C@@H]1CO[C@@H]3[C@@H](NCC4CC4)CO[C@H]31)OCO2 25420149 RNZLVOPVXOHRQL-IXKJSCDLSA-N 371.397 0.776 0 1 FCAF biogenic CC(C)C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H]1CC(=O)O[C@@H]1O 26746068 IQUVUZFLISFKHB-LXXKRBEDSA-N 360.410 0.981 0 1 FCAF CC1(C)N=C(N)N=C(N)N1c1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 29464304 FDUWYXRCWAGLQI-UHFFFAOYSA-N 356.438 0.058 0 1 FCAF CO[C@]1(C)/C=N/CC(C)(C)NC(=O)[C@](C)(OC)/C=N/CC(C)(C)NC1=O 31851338 UHZFQYYITQQTCZ-VFGJRFIDSA-N 368.478 0.741 0 1 FCAF CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccc(Cl)o2)[nH]c1=O 34986326 XUZPAIGKFQVJIC-IODUZNRKSA-N 360.801 0.988 0 1 FCAF CC(C)C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O 39797425 YRRCOJOXAJNSAX-MELADBBJSA-N 356.467 0.049 0 1 FCAF biogenic CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1 95887798 XUIBJKJBLJUMMA-VQHPVUNQSA-N 368.474 0.791 0 1 FCAF O=C1Nc2ccccc2C1=c1nc(O)c(=C2C(=O)Nc3ccccc32)nc1O 253666471 LDPXVHACSXEGHP-UHFFFAOYSA-N 372.340 0.190 0 1 FCAF O=C1NC[C@@H]2c3c(cccc31)CCN2CC(=O)N1C[C@H]2NCCC[C@@H]2C1 261127970 KOMJGGQZGQXNRW-DJIMGWMZSA-N 354.454 0.540 0 1 FCAF NC(=O)c1cccc(C[C@H](N)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 587259393 DOJREJUSPRPBLQ-LBPRGKRZSA-N 359.411 0.552 0 1 FCAF Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@@H]2CCOC2)cn1 1772644753 PFGGZFSDVPUNBR-CYBMUJFWSA-N 369.429 0.504 0 1 FCAF CCC=C(C)[C@H](O)[C@H](C)C(=O)NCC(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)OC 2356319180 KSWFSVVSYOJJQX-YOPIWALVSA-N 357.447 0.831 0 1 FCAF CC(=O)O[C@@H]1[C@H](C)O[C@H](O)[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@@H]1O 2356521165 MDNCGEXTUODPTG-HWQGSREOSA-N 352.339 0.347 0 1 FCAF CCCCN1C(=O)[C@@H]2C[C@H](O)CN2C2(CN(Cc3cccnc3)C2)C1=O 2356654830 LUAPRRXFAJZXMV-HOTGVXAUSA-N 358.442 0.240 0 1 FCAF O=C(O)C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)C3CCCCC3)CCN2C1=O 2356850909 QBTRKCHEQGDOPX-AGIUHOORSA-N 351.403 0.016 0 1 FCAF CS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2c[nH]nc2CC3)cc1 14945786 NSLNFDFRWNVNFZ-UHFFFAOYSA-N 357.395 0.863 0 1 FCAF C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2SC1 26159516 YSDBZPOZOMCMEK-CZUORRHYSA-N 360.391 0.990 0 1 FCAF O=C(NCCN1CCN(/C(O)=C2/COCCO2)CC1)c1ccc(F)cc1 53267564 APLBUHAXHUZRNP-FBMGVBCBSA-N 365.405 0.947 0 1 FCAF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOc1cccc(F)c1 95553933 IZJXZPYJIKQXHK-XMTFNYHQSA-N 357.422 0.524 0 1 FCAF COCCNC(=O)C[C@@H]1C=C[C@H](NC(=O)NC2CCCC2)[C@H](CO)O1 95675442 PYHXZAPBOUOXMO-KKUMJFAQSA-N 355.435 0.065 0 1 FCAF CC(=O)N1CCC(N[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](n3nc(C)cc3C)[C@H]2O)CC1 2356307634 HYJQBKKNFUHFEH-ZBRFXRBCSA-N 364.446 0.126 0 1 FCAF COc1cc(C=CC(=O)O[C@@H]2C[C@@]3(O)C[C@@H](OC3=O)[C@H]2O)ccc1O 2356308622 KFVJGWDDYWUTHM-LNCBFAARSA-N 350.323 0.137 0 1 FCAF CC(=O)c1ccc(NC(=O)N[C@@H]2CCN3C(=O)[C@@H]4CCCN4C(=O)[C@@H]23)cc1 2356314039 ZCRHAEOTAHSKIE-OWCLPIDISA-N 370.409 0.985 0 1 FCAF O=C(O)[C@H]1O[C@H](Oc2ccc3c(c2)Cc2ccccc2-3)[C@@H](O)[C@H](O)[C@H]1O 2356655178 ZLFOGQYAGDVXGP-GJGATLCTSA-N 358.346 0.529 0 1 FCAF CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](NC(C)=O)[C@H]1OC(C)=O 255971667 FJEJQSQCOOUCJJ-CMURFVSUSA-N 365.382 0.908 0 3 FCAF CN(C)S(=O)(=O)OC[C@@]12OC[C@H]3OC(C)(C)O[C@@H]3[C@H]1OC(C)(C)O2 27993412 RKJMBQKJKRDATB-DEKYYXRVSA-N 367.420 0.208 0 1 FCAF Cn1c(=O)c2c(ncn2CCCC(=O)N2CCCCCC2=O)n(C)c1=O 40846745 UZSXIVUBENDURH-UHFFFAOYSA-N 361.402 0.143 0 1 FCAF COC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccccc2F)[C@H](CO)O1 95676618 CZGVFFSNBHAYON-DRZSPHRISA-N 359.375 0.352 0 1 FCAF CC(=O)[C@@]12[C@@H]3[C@H]4[C@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@@]41Br)C21OCCO1 169293791 FCTNJUJIKYLXCW-PNRNTDMHSA-N 369.211 0.947 0 1 FCAF Cc1cc(F)c2[nH]c(C[C@@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)nc2c1 587218501 HBBVNYTUGMWFSI-ZJUUUORDSA-N 366.349 0.314 0 1 FCAF CC(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2 2356391718 AWSYWECAWRXZDP-KKBVYLPWSA-N 354.355 0.060 0 1 FCAF CC=C1C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](OC1=O)[C@@H](O)[C@@H]23 2356559950 QBXXZMDYXQHARQ-KXELVBGISA-N 351.399 0.164 0 1 FCAF COC(=O)[C@@]1(C)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SCC3CC3)N21 61944674 GKSTXBASBFAJRN-ZAQLIGFBSA-N 351.428 0.346 0 3 FCAF COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@@](O)([C@H](C)O)[C@@H]1C[C@H]23 13406517 JEEKFGBFFFFEHQ-FAMFQNOMSA-N 356.422 0.997 0 1 FCAF NCCCN(CCCN)Cc1ccc(CN(CCCN)CCCN)cc1 13553206 FGIXKMMIIPMYFG-UHFFFAOYSA-N 364.582 0.686 0 1 FCAF O=C1[C@@H]2Cc3nc[nH]c3[C@@]3(COCc4[nH]ccc43)N2C(=O)[C@@H]2CCCN12 963216484 DBKFBBKDAQVSOH-DEYYWGMASA-N 353.382 0.270 0 1 FCAF CC(C)c1oc(=O)cc2c1[C@H](O)[C@@H]1OC(=O)[C@@H]3C[C@H](O)[C@H](O)[C@@]2(C)[C@H]31 2356578265 LOODUNLGAJOCST-GBYZVQAZSA-N 350.367 0.351 0 1 FCAF Cc1ccc(-c2cc(N)n(-c3nc4c(c(=O)n(C)c(=O)n4C)n3C)n2)cc1 5801288 DCAPDDASYGEEEB-UHFFFAOYSA-N 365.397 0.714 0 1 FCAF CCOC(=S)NCc1ccc(O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 6019173 JOSHUAQJVMGTGS-KTDXIVQUSA-N 357.428 0.304 0 1 FCAF endogenous,in-man N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 39808259 NHCKESBLOMHIIE-SJORKVTESA-N 369.421 0.485 0 1 FCAF biogenic CCC(=O)N[C@H]1C=C[C@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO 95906906 DBGASRQPVRWBAG-PMPSAXMXSA-N 353.463 0.189 0 1 FCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NC3CCC3)[C@H](O)[C@H]2O1 2356491329 HPUBGOVXOLSIJW-IGNRKKQASA-N 355.435 0.040 0 1 FCAF CN1CCN([C@@H]2[C@H](CNCc3cccc(Cl)c3)O[C@@H](CO)[C@H]2O)CC1 2356842272 MMKZGWQQYXUHEC-WNRNVDISSA-N 369.893 0.166 0 1 FCAF Cc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 3964762 PJFAFCHMHLNMSX-OUUBHVDSSA-N 360.406 0.765 0 1 FCAF O=C1NC(=O)C(O)(CC(=O)c2ccc(-c3ccc(CO)cc3)cc2)C(=O)N1 95577141 FHMXFHQIBLHDDW-UHFFFAOYSA-N 368.345 0.516 0 1 FCAF COC(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(OC)cc2)[C@H](CO)O1 95675503 PJOLWCYMJOXMFX-SNPRPXQTSA-N 373.427 0.445 0 1 FCAF CCNC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1 95907999 UOWXRGDLFUDMAF-BPLDGKMQSA-N 372.418 0.315 0 1 FCAF C[C@@H](N)C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cc3ccccc3)CS[C@H]12 169344256 FHYCZCZZWWVEPK-VYROHLMNSA-N 361.423 0.315 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cncc(Cl)c2[nH]1 587216952 AAELIOFPJGQWDM-SFYZADRCSA-N 369.765 0.435 0 1 FCAF O=C1C[C@@H]2OCC=C3CN4C(=O)C[C@]56c7ccccc7N1[C@H]5[C@@H]2[C@H]3C[C@@]46O 2356739118 CBNUTWOIYIEZGH-IFFZPMKWSA-N 364.401 0.939 0 1 FCAF Nc1nc2c(ncn2[C@@H]2CC[C@H](CO)O2)c(=O)n1C(=O)c1ccccc1 8653491 YOXFWAONAZHRBJ-NEPJUHHUSA-N 355.354 0.534 0 1 FCAF in-vitro C[C@@H]1CC(=O)N(CCN2CCN(c3cccc4c3OCCO4)CC2)C1=O 13743916 FKNRPHHAFAKSAD-CQSZACIVSA-N 359.426 0.975 0 1 FCAF CC(C)CCOc1ccc(NC(=S)N[C@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1 29052359 UJDLUMCNDPKJME-UGUYLWEFSA-N 370.471 0.837 0 1 FCAF NS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)O)[C@H](O)c2ccccc2)cc1 29474812 NIDAQZVGJPKDSK-UONOGXRCSA-N 364.379 0.251 0 1 FCAF CO[C@H]1N[C@H]([C@H](O)CCCCCCCC[C@H](O)CCCO)[C@@H](O)[C@@H]1O 95909871 TWDNTWGVPATUAQ-UIGZQWRCSA-N 363.495 0.268 0 1 FCAF biogenic,in-vitro NS(=O)(=O)Cc1ccc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)cc1 586929861 HNRYIMPTKNPYNK-UHFFFAOYSA-N 366.424 0.666 0 1 FCAF CC=C1C[C@H](CO)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 2356531404 XVKRSUITGOSAJK-ADAWSYLGSA-N 351.399 0.165 0 1 FCAF CC(C)NC(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1 17836428 QYNYTFYEZKVVAU-UHFFFAOYSA-N 351.388 0.814 0 3 FCAF CC1(C)O[C@H]([C@@]23OC[C@H]4OC(C)(C)O[C@H]4[C@@H]2OC(C)(C)O3)[C@@H](CO)O1 5925007 TYRFSVLXABMDCR-VPPJQCCFSA-N 360.403 0.897 0 1 FCAF O=C(O)CCCC(=O)N1CC[C@@H]2NC(=O)N(Cc3ccccc3)C(=O)[C@H]21 25412374 RRYBVFQNZXZDKK-BBRMVZONSA-N 359.382 0.963 0 1 FCAF biogenic C[C@@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@]2(C)[C@@]2(O)CC[C@](C)(O)[C@@H]42)[C@@]13C 100898304 SHKTYUCWKCFSRV-PUBMPXGSSA-N 368.470 0.391 0 1 FCAF in-vitro COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@H]3[C@]41CO 299811347 KRVBAKCHGBGKIW-TWFVLWKUSA-N 361.394 0.892 0 1 FCAF C=C(NC(C)=O)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587202274 DOXSXMGYFWTEIU-UHFFFAOYSA-N 350.400 0.691 0 1 FCAF CCc1ccc2nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2c1 587219225 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CN(Cc1nc2c(O)nc(S)nc2[nH]1)S(=O)(=O)c1cccnc1 586929152 SUHGJWIEVKPKNN-UHFFFAOYSA-N 352.401 0.563 0 1 FCAF CNS(=O)(=O)NCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586941617 CTEHKVPAEDDIEY-UHFFFAOYSA-N 372.350 0.410 0 1 FCAF Cc1c(F)ccc2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c12 587222302 SMYAQNZSXPGEMF-GXSJLCMTSA-N 366.349 0.314 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(F)c(F)cc2[nH]1 587223038 VFXJITJZCWONJJ-BDAKNGLRSA-N 370.312 0.665 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(F)c(F)c2[nH]1 587224336 YZXSDDVMWSIAMN-CBAPKCEASA-N 370.312 0.665 0 1 FCAF N#CN1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)N2CCOCC2)C1 621431674 VXNYADDLKCRGAP-SJORKVTESA-N 371.441 0.311 0 1 FCAF CO[C@@H]1N[C@H]([C@H](O)CCCCCCCC[C@H](O)CCCO)[C@@H](O)[C@@H]1O 2356428670 TWDNTWGVPATUAQ-ZDRBWGSPSA-N 363.495 0.268 0 1 FCAF COCCNC(=O)[C@H]1CCC[C@H](NC(=O)c2ccno2)CN(C)C(=O)C1 2356436925 ACUZWZXCNOUEPA-STQMWFEESA-N 366.418 0.184 0 1 FCAF 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YDTUMPCUWWTWJA-UHFFFAOYSA-N 350.375 0.652 0 1 FCAF CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O 29346487 PUKHDJJWANHWKN-IUCAKERBSA-N 363.436 0.078 0 1 FCAF NC(=O)c1ccc2c3c1O[C@@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 29407139 QAICPHMNUHNDMC-DPDLHNOKSA-N 368.433 0.919 0 1 FCAF in-vitro N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1 45253606 BXQRVEHYSAERGE-ZFWWWQNUSA-N 356.382 0.966 0 1 FCAF NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)C(N)=O 49050573 BIBAVPZMJKTTFF-GFCCVEGCSA-N 369.830 0.891 0 1 FCAF CN(C)CC(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO 95903639 AWWMRDPCWOFXFI-LZWOXQAQSA-N 351.451 0.132 0 1 FCAF Cc1cc2nc(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2cc1C 587218969 JHAPURNHHCLRCE-QWRGUYRKSA-N 362.386 0.484 0 1 FCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3ccncc3F)[C@@H](O)[C@@H]2O1 2356288565 HCNBEDDWFUIGMA-KATVLWTNSA-N 367.421 0.512 0 1 FCAF CC(C)=CCc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14489229 ZTHSABILDCCHJR-MAPUTHEBSA-N 368.382 0.072 0 1 FCAF endogenous,in-man CO[C@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@@](SC)([C@@H](C)O)NC1=O 15257998 XBAWMOXUPDFOKQ-YKJXYISPSA-N 363.439 0.739 0 1 FCAF biogenic,in-vitro CCN1CCN(CCCNC(=O)CCc2c(C)nn3cnnc3c2C)CC1 21540656 SIFSTGHUAWUEPE-UHFFFAOYSA-N 373.505 0.818 0 1 FCAF COc1ccccc1OC[C@@H]1N(C(=O)CS(C)(=O)=O)CC[S@@]1=O 27560736 MNRDUISQBAYENJ-JLCFBVMHSA-N 361.441 0.036 0 1 FCAF Cc1ccc2nc(-c3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)[nH]c3=O)[nH]c2c1 73224146 VBHLKXFYCOUCIX-BFHYXJOUSA-N 358.354 0.029 0 1 FCAF COc1ccccc1OCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO 95554450 XAFQFOKWINVSAQ-WTLGNFPFSA-N 369.458 0.394 0 1 FCAF CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncnc3)ccc1O[C@H]1CCOC[C@@H]12 103253324 RJSNCSMBORZTJH-QOKNQOGYSA-N 365.393 0.923 0 1 FCAF N#Cc1c(N)ncnc1N1CC[C@@](N)(CNC(=O)c2ccc(F)cc2F)C1 218694127 JGSCNSLFLUHHSV-QGZVFWFLSA-N 373.367 0.546 0 1 FCAF N=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]n1C(=O)Nc1ccccn1 1857556292 BMPTUISPLXJJFC-UHFFFAOYSA-N 374.386 0.557 0 1 FCAF N[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1nnnc1-c1cccc(CN2CCCC2)c1 2356857634 SLBYSULWPZXBOP-VQHPVUNQSA-N 356.430 0.602 0 1 FCAF NC(=O)CO[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@@H]12 25434008 KIZUFPBNAGVHSQ-DRABBMOASA-N 362.411 0.654 0 1 FCAF biogenic CCO[C@H]1C(=O)N2[C@@H](C(=O)OCc3ccccc3)C(C)(C)S(=O)(=O)[C@H]12 26386191 ARVJGTLKLSNUMM-KCQAQPDRSA-N 367.423 0.879 0 1 FCAF COCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@@H](C(C)C)N2 82206709 WXPLSEAKEKIXEW-ZDUSSCGKSA-N 373.413 0.754 0 1 FCAF COC(=O)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@@H]2O)cc1 85877391 RHLFBIFJRZNCRZ-HOUZQUGISA-N 369.370 0.320 0 1 FCAF endogenous,in-man CNC[C@@H]1Oc2ccc(NS(C)(=O)=O)cc2CC(=O)N(C)C[C@@H]1C 95663502 KDIKRPBRIQIWMR-NHYWBVRUSA-N 355.460 0.676 0 1 FCAF CCCCCCN(C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O)C(C)=O 169335351 FYHOASCCGOQVDZ-ARFHVFGLSA-N 367.446 0.922 0 1 FCAF CC[C@H](C)[C@H](NC(=O)[C@H]1O[C@@H]1NCC(C)C)C(=O)N1CCC[C@@H]1C(=O)O 169687105 OCZXKCAOQZRBLU-QKDZRIPBSA-N 369.462 0.563 0 1 FCAF COc1cc(-c2cc(C(=O)N3CCC(O)CC3)c3c(N)ncnn23)ccn1 169704060 SWDWFHCWEZBKFO-UHFFFAOYSA-N 368.397 0.979 0 1 FCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@H](O)[C@@H](O)CO)N1 587834896 UJWHGAUUAGNGBG-OBNMFLHOSA-N 364.211 0.239 0 1 FCAF CSc1ncnc2c1c1ccsc1n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1772607969 VVTCIGWZJANTDX-QYVSTXNMSA-N 353.425 0.979 0 1 FCAF O=C1CCc2c(cccc2N2CCN(C[C@H](O)Cn3ccnc3)CC2)N1 1857549284 FFDXPMDYUHJEII-HNNXBMFYSA-N 355.442 0.951 0 1 FCAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NC3CCC3)[C@@H](O)[C@@H]2O1 2356293535 IHMIJZVJBCLYQU-QZPUYBJASA-N 355.435 0.039 0 1 FCAF CC(C)N1CC2(C1)C(=O)N(Cc1ccccc1F)C(=O)[C@H]1C[C@H](O)CN12 2356528387 YJALZGXZRJFZET-GOEBONIOSA-N 361.417 0.593 0 1 FCAF CN1CCNC(=O)[C@H]1CC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 12589551 AALNMZNOXPQYTB-QGZVFWFLSA-N 362.449 0.680 0 1 FCAF C[C@H]1C(=O)[C@]23C[C@@]1(O)CC[C@]2(C)[C@]12OC(=O)[C@](C)(CC[C@@H]1O)[C@H]2C[C@@H]3O 238763996 BPTRJBONXZCGJD-FBCPCHKUSA-N 364.438 0.950 0 1 FCAF CCOC(=O)[C@H]1CN(C(C)=O)CCN1S(=O)(=O)c1ccc(F)cc1 1772577144 UWWVKEGRVZMRDC-CQSZACIVSA-N 358.391 0.610 0 1 FCAF COCCOCC1(CNC(=O)c2nc3ccccc3[nH]2)C[C@H](O)[C@@H](O)C1 2356298744 YZYYTFTZCDKHJY-GJZGRUSLSA-N 363.414 0.458 0 1 FCAF CCCC=CC=CC1=C(CO)[C@@H]2O[C@H](C(C)(C)O)C[C@]2(O)[C@@H](O)[C@H]1O 2356347124 JNZPJFJLCQONRT-WSRJKRBPSA-N 354.443 0.583 0 1 FCAF CC(=O)O[C@@H]1C=C[C@H](O)[C@@](O)(COC(=O)c2ccccc2)[C@@H]1OC(C)=O 14489503 MAIHNXWUKKJTIY-HPFXQQBRSA-N 364.350 0.369 0 1 FCAF biogenic CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21 32296277 PFEUJUXMHXWDQS-MHSWQEBQSA-N 350.411 0.438 0 1 FCAF biogenic,in-vitro C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N1CCNCC1 82083274 YIGAVDBKPXCPMT-NSHDSACASA-N 372.381 0.620 0 1 FCAF CC(=O)O[C@H]1[C@@H]2OC(=O)C(C)=C2[C@@H]2OC(=O)[C@]3(CC[C@H]4O[C@]14C)O[C@@H]23 195437610 BTFYCCJHXMPDKJ-ZEBUNZCMSA-N 350.323 0.174 0 1 FCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)N1 587834260 RDYGSNMRYVVLSB-FDKQIQMJSA-N 364.211 0.239 0 1 FCAF O=C(Nc1cccnc1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cc(Cl)cn2)[C@H]1O 2356735809 SBSNJPWVRFQDLB-DGTMBMJNSA-N 365.777 0.779 0 1 FCAF CN1CC[C@@H]2[C@@H]1C(=O)NC[C@@H](CCC(=O)NCc1ccc(F)cc1)N2C 2356831506 JPSJTZUVVKFABK-JFIYKMOQSA-N 362.449 0.725 0 1 FCAF CC[C@]12C(=O)N(C)C[C@H]([C@@H]3C(=O)N(C)C(=O)[C@@H]31)N2C(=O)c1ccccc1 61949166 SYKLOUIRCMSUHP-ZYKCCNLVSA-N 355.394 0.363 0 3 FCAF COC[C@@H]1CCCN1[C@@H]1CS(=O)(=O)N[C@H]1COCc1ccccc1 96021048 UUDZWOJZZZYUAT-YESZJQIVSA-N 354.472 0.984 0 3 FCAF NCC(=O)N1CCC(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)CC1 6536172 HSSIKNKSOUUQNX-MRXNPFEDSA-N 372.425 0.477 0 1 FCAF biogenic OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccccc3)c2)[C@H](O)[C@H](O)[C@@H]1O 8516149 JTFNQPOMLDMAEW-ZXSJMOBOSA-N 374.389 0.741 0 1 FCAF COC(=O)[C@H](CCSC)NC(=O)COc1ccc(N2CCCC2)nn1 12165849 ZIFBUPMTDROMKO-LBPRGKRZSA-N 368.459 0.867 0 1 FCAF O=C(O[C@H]1CN2CCC1CC2)[C@](O)(CN1CCOCC1)c1ccccc1 13887356 RYWIXIGDLHGWJD-ICSRJNTNSA-N 360.454 0.844 0 1 FCAF CC1=C(CC[C@@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1 14587814 UJRMJTIXXKZFGB-UVHUXJCQSA-N 374.474 0.469 0 1 FCAF endogenous,in-man O=C(O)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)c2ccco2)c1=O 25217761 IPMCUEBVPNFLKJ-MNOVXSKESA-N 371.349 0.724 0 1 FCAF biogenic O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1ccc(Br)o1 27524471 SDIRBUIWZUCLRP-NMLBEHRDSA-N 373.159 0.200 0 1 FCAF O=C(O)Cn1cc(I)c(-c2nc3ncc[nH]c-3n2)n1 587186463 XISUSEHOEDZHJU-UHFFFAOYSA-N 370.110 0.857 0 1 FCAF CN1C(=O)c2ccc(Br)n2[C@@H]2C[C@]3(O)[C@@H](NC(=O)N3C)[C@@H]21 653721521 WJPDCRHERVQKCE-PZWLIILKSA-N 355.192 0.362 0 1 FCAF CC(=O)OC[C@@H]1CN(C(C)=O)CCN1S(=O)(=O)c1ccc(F)cc1 1772620129 DFRAUOUSQBERCZ-AWEZNQCLSA-N 358.391 0.610 0 1 FCAF O=C(NC[C@]1(O)CO[C@H](CNCc2ccccc2)[C@H]1O)c1ccccc1 1857565185 ATZAKQCZNRWTMJ-GGPKGHCWSA-N 356.422 0.697 0 1 FCAF CC(=O)O[C@H]1C[C@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2 2356391719 AWSYWECAWRXZDP-OSMBCOQSSA-N 354.355 0.060 0 1 FCAF C[C@H]1C[C@@H](C)C(=O)[C@@H]2[C@H](O)[C@H]3[C@H](O)[C@@H]4O[C@]25C(=C1O)C(=O)O[C@]35C[C@@H]4C 2356715909 VUYKDEHGBXWVQB-RKFGCHGJSA-N 364.394 0.484 0 1 FCAF CN(C)C(=O)[C@@H](NC(=O)[C@@H](CN(O)C=O)CN1CCCCC1)C(C)(C)C 13537028 TZPOFWJXWXIVIH-HUUCEWRRSA-N 370.494 0.555 0 1 FCAF Nc1nc(N2CCN3C[C@@H](CO)CC[C@H]3C2)cc2nc(-c3ccco3)nn12 13585761 ZVDHOEUVHHSDMO-STQMWFEESA-N 369.429 0.859 0 1 FCAF Cn1ncc2c(c1=O)OCCCN2C(=O)CCNCCOc1ccccc1 26731813 DPZWJMGURHYMMP-UHFFFAOYSA-N 372.425 0.955 0 1 FCAF CCO[P@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)C(=O)NC 27191739 PWGHBLAAPAKTIN-OZGSTZEOSA-N 373.302 0.884 0 1 FCAF N=C(N)c1ccc(C2=NO[C@@H](CC(=O)N3CCC(=O)[C@@H](C(=O)O)C3)C2)cc1 27518917 CVZFQMQJGGMPII-OLZOCXBDSA-N 372.381 0.356 0 1 FCAF O=C(O)[C@H]1O[C@@H](Oc2ccc(Oc3ccccc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O 238769690 UKGMLDJBEMVQLQ-RNGZQALNSA-N 362.334 0.750 0 1 FCAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSC(F)(F)F)[C@H](O)[C@@H]1O 299816193 SVAPYGHZOUZUSS-XJCFNFQFSA-N 351.310 0.281 0 1 FCAF Nc1ncnc2[nH]c(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)nc12 587203733 SIZHGWBCRSQOQA-JTQLQIEISA-N 356.342 0.857 0 1 FCAF Cc1ccccc1[C@@H]1CS[C@@H]2C(=O)N[C@H](N3CCC[C@H](C(N)=O)C3)N[C@@H]21 618016551 AVMMQWZENKQSGW-XMFUBXPQSA-N 374.510 0.763 0 1 FCAF CN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(F)cc1 61949224 LYVBTBUNAVRIFA-SJBDTSRBSA-N 359.357 0.112 0 3 FCAF CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2nc(N)ncc2C[C@]3(O)[C@H]1C5 27076121 KTEOARIYVZXCNX-YXUXOOTASA-N 352.394 0.683 0 1 FCAF C/C=C1/C[C@@H](CO)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 141588944 XVKRSUITGOSAJK-FQKBVSRCSA-N 351.399 0.165 0 1 FCAF Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1cn2ccccc2n1 144075723 RZHIROLSHLFRRS-UHFFFAOYSA-N 352.398 0.886 0 1 FCAF O=C(O)/C=C(\C(=O)O)[C@]12CCN3CC4=CCO[C@@H]5CC(=O)N[C@H]1[C@H]5[C@H]4C[C@H]32 299879669 LBAWZETUMGOMOM-JGINFBDCSA-N 374.393 0.006 0 1 FCAF COc1ccc2c(c1)[C@]13CCN[C@@H](C2)[C@]1(O)CC[C@@]1(C3)NC(=O)NC1=O 473210243 UOEMXILTUUKKEG-KLIQENQMSA-N 357.410 0.344 0 1 FCAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586945114 WWICGNRILOFQAH-UHFFFAOYSA-N 356.795 0.988 0 1 FCAF COc1ccccc1CN1C(=O)[C@@H]2C/C(=C\N(C)C)C(=O)N2[C@@H]1N(C)C 1911576564 MYLQWHSKEAYKMU-CHKIPVGVSA-N 358.442 0.929 0 1 FCAF CS(=O)(=O)N[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1cc(-c2ccccc2)nn1 2356873468 YGWQWBNCHXZDMD-TUVASFSCSA-N 350.400 0.202 0 1 FCAF O=C(Nc1ccc([C@H](O)c2ccccc2)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 61904824 DQTXLFWONADJOM-DUQPFJRNSA-N 359.378 0.188 0 3 FCAF O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2C(=O)C2CCOCC2)O1)c1cccnc1 95869374 VOOZIXGGBCVCMC-GVDBMIGSSA-N 359.426 0.996 0 1 FCAF Nc1nc(NCCc2ccccc2)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](O)[C@@H]1O 169366592 OZCCPYHYSIPRDM-DDHJSBNISA-N 370.413 0.091 0 1 FCAF CNC(=O)[C@H]1C[C@H]2CN(Cc3csc(C)n3)C[C@@H]2N1S(C)(=O)=O 299843889 ZHXGYPWWQAAQIR-UHTWSYAYSA-N 358.489 0.032 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc(Cl)cc2[nH]1)C(=O)O 587218337 IEUYUWLRYSDRJP-WPRPVWTQSA-N 368.777 0.520 0 1 FCAF CO[C@]12OC(=O)C(CO)=C1C[C@@H]1[C@H](COC(C)=O)[C@@H]3C[C@@H]3[C@@]1(C)[C@@H]2O 2356420837 OUJYYGQZMSBQBK-JYLVJGBTSA-N 352.383 0.391 0 1 FCAF CC(C)NC(=O)NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 6376379 PTYKPQBBXOWMJG-AWEZNQCLSA-N 371.397 0.865 0 3 FCAF COCc1cc(N2CCNC[C@@H]2C)ccc1N1CCS(=O)(=O)CC1 199269206 AOLUGBSPXRZEFC-AWEZNQCLSA-N 353.488 0.866 0 3 FCAF Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 2720254 QKMFLWCSOZDYSU-UHFFFAOYSA-N 352.372 0.651 0 1 FCAF OC[C@@H]1O[C@@H](n2nc(-c3ccccc3)nc2-c2cnccn2)[C@@H](O)[C@@H]1O 5849618 QFNSOSQYPDYLPK-QDEZUTFSSA-N 355.354 0.014 0 1 FCAF Cc1nc(CC(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(Cl)CS[C@H]23)cs1 26150526 FSUMGGZJIFHHGH-BXKDBHETSA-N 373.843 0.929 0 1 FCAF C[C@@H](CC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)O 36144357 NIMLXPSSVMNDFV-CWRNSKLLSA-N 363.458 0.850 0 1 FCAF N=C(N)c1ccc(C2=NO[C@@H](CC(=O)N3CCC(=O)[C@H](C(=O)O)C3)C2)cc1 38159091 CVZFQMQJGGMPII-CHWSQXEVSA-N 372.381 0.356 0 1 FCAF CC[C@@H](CO)Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205045381 ONQWERJIVQKYCU-BVBCSLMJSA-N 372.389 0.062 0 1 FCAF CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@H]3CC=C(C)[C@H]2C3(C)C)[C@@H](O)[C@H](O)[C@H]1O 2356575811 CHNWDUCYLHVSJP-BVQDSEAQSA-N 356.415 0.365 0 1 FCAF CCC/C=C1/OC(=O)c2c(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cccc21 13380520 LNWJAAMNXBMBCE-GZEIBNHYSA-N 366.366 0.177 0 1 FCAF endogenous,in-man CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O 13542122 AEMPCGRFEZTWIF-IHRRRGAJSA-N 358.483 0.199 0 1 FCAF biogenic CS(=O)(=O)N1C[C@H]2CNC[C@@]2(C(=O)NCCCc2ccccc2)C1 65375595 AOXUROZNLKGRHP-NVXWUHKLSA-N 351.472 0.216 0 1 FCAF CC1(C)S[C@@H]2[C@@H](NC(=O)Cc3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O 71758627 AZCVBVRUYHKWHU-SGMGOOAPSA-N 350.396 0.566 0 1 FCAF biogenic NC[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)ncnc32)[C@H](O)[C@@H]1O 101493965 RQNYXIHMFLTTKC-CRMRRSEDSA-N 360.418 0.005 0 1 FCAF C=c1ncsc1=C1NN=C([C@@H]2CCCN2C(=O)CCn2ccc(C)n2)O1 1857582365 XLDHERFPXWYKBH-ZDUSSCGKSA-N 372.454 0.139 0 1 FCAF CC(=O)O[C@H]1[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@@H](O)O[C@@H](C)[C@H]1O 2356497461 OKXFATZWVGIXEE-SSFHUKSJSA-N 352.339 0.347 0 1 FCAF COc1cc([C@@H]2CS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O2)cc(OC)c1O 2356675761 DEKBHIICOGMPTO-RDYRKAJQSA-N 374.411 0.022 0 1 FCAF COCC(=O)N[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2n1cc(COc2ccccc2)nn1 25425783 NOZYPAKZVAWDRB-FZCLSBEQSA-N 374.397 0.327 0 1 FCAF biogenic O=C([C@H]1CSCN1)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 25430816 SCVOYGUZLDPOSG-ZIAGYGMSSA-N 360.439 0.324 0 1 FCAF biogenic C[C@H](NC[C@@H](O)COc1ccc(CC(N)=O)cc1)[C@@H](O)c1ccc(O)cc1 28462081 JPESONWGBOJPDW-WSXQUGQNSA-N 374.437 0.871 0 1 FCAF CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O 58582167 ZLPYTYIPAPDDLR-RYUDHWBXSA-N 369.418 0.578 0 1 FCAF COC(=O)[C@@H](N)CSC(=O)[C@@H](Cc1ccc2c(c1)OCO2)OC(C)=O 95558863 PRBQZEFYNIYZPQ-SMDDNHRTSA-N 369.395 0.650 0 1 FCAF COC(=O)c1cn(-c2c(F)c(F)c(S(N)(=O)=O)c(F)c2F)nn1 95921300 SZIXXXYRUPCZBK-UHFFFAOYSA-N 354.241 0.258 0 1 FCAF in-vitro OC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4C[C@@H]5CC[C@@H]4C5)ncnc32)[C@@H](O)[C@@H]1O 100644779 YKPCEENRZZBDMC-FTEFDAQKSA-N 361.402 0.038 0 1 FCAF CC1(C)[C@@H](O)C[C@H]2[C@@]1(O)[C@@H](O)C[C@]13C[C@@](C)(O)[C@@H](CC[C@@H]1[C@@]2(C)O)[C@H]3O 169373121 BWMFRQKICHXLSH-FXWADCBNSA-N 370.486 0.168 0 1 FCAF CC[C@H](CO)Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205018643 ONQWERJIVQKYCU-QQCYMQAYSA-N 372.389 0.062 0 1 FCAF CC[C@@H]1O[C@H](n2cnc3c(NCC=C(C)C)ncnc32)[C@H](O)[C@@H](O)[C@H]1O 2356285078 MIBAUVZDWWWONW-ATDMTPKLSA-N 363.418 0.595 0 1 FCAF CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)[C@H]1OC(=O)[C@@H]1C(C)C)C(C)C)C(=O)O 2356715597 LYUCHIIJQVXUQP-ZSLBOAEBSA-N 370.446 0.940 0 1 FCAF CN(CCc1ccccc1)[C@@H]1[C@H](CNC(=O)c2ccco2)O[C@H](CO)[C@H]1O 2356805823 ADUUNWPNYMLANB-WJFTUGDTSA-N 374.437 0.673 0 1 FCAF Nc1ncnc2c1ncn2[C@H]1O[C@@H](CSCC(F)(F)F)[C@@H](O)[C@@H]1O 5594709 OADDFVPHOXLNAW-YRCUVVFSSA-N 365.337 0.323 0 1 FCAF Nc1nc(N2CCN3[C@@H](CCC[C@@H]3CO)C2)nc2nc(-c3ccco3)nn12 13585799 NVJCHFPWEHYAGF-NWDGAFQWSA-N 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2356805818 ADUUNWPNYMLANB-INDMIFKZSA-N 374.437 0.673 0 1 FCAF CC(C)C1=C2[C@@H]3C[C@H]4O[C@@](O)([C@H](O)[C@@H]4CO)[C@]3(C)CC[C@]2(C)[C@@H](O)[C@@H]1O 2356837404 LJWOUIAICYRZKD-ZUDISOBOSA-N 368.470 0.558 0 1 FCAF COC[C@H]1CCCN1[C@@H]1CS(=O)(=O)N[C@H]1COCc1ccccc1 72138646 UUDZWOJZZZYUAT-IXDOHACOSA-N 354.472 0.984 0 3 FCAF CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)CF 28391713 PXRNFZWCDGGNCL-GUYCJALGSA-N 366.389 0.868 0 1 FCAF COCCN(c1c(Cl)c(C)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O 28954119 BCDCSJRVBJPNBV-UHFFFAOYSA-N 361.807 0.591 0 1 FCAF C[C@]1(COC(=O)c2cc(Br)c[nH]2)NC=N[C@@H](C(=O)O)[C@H]1O 60290058 RMRGGLUETWXFCH-KBVBSXBZSA-N 360.164 0.138 0 1 FCAF biogenic C[C@@H]1CNc2c(NCc3ccoc3)c(=O)n(CCN3CCCC3=O)c(=O)n21 82210851 XFEJNGXIHVFYOR-GFCCVEGCSA-N 373.413 0.824 0 1 FCAF C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C 95854518 WAHUPRWPWKVPJH-IIAWOOMASA-N 353.467 0.364 0 1 FCAF O=C1C2=N[C@H]3C[C@@]45C(=CC(=O)[C@H]([C@@H]4O)N4CCc6c[nH]c1c6C4=C25)S3 136562256 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C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H](O)[C@@H](O)CO)N1 587831968 INPNLAFGDJJDCX-MHWWPZMWSA-N 364.211 0.024 0 1 FCAF CN(C)S(=O)(=O)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1 587970396 GQBLVPIHYMGSDS-JGPRNRPPSA-N 353.356 0.312 0 1 FCAF Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@@H](NC3CCCC3)[C@@H]2O)cc1 2356288130 WZLMVSCKQGRZOD-IKGGRYGDSA-N 354.472 0.934 0 1 FCAF COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(OCC=C(C)C)c1 2356643244 LTKOEKFHHKOTHT-XLMAVXFVSA-N 368.382 0.636 0 1 FCAF NC(=O)c1ccc(NC(=O)[C@@H]2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 1772636164 VGCJICJRSOOTOQ-CYBMUJFWSA-N 366.333 0.623 0 1 FCAF CC(=O)c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(CC=C(C)C)c1 2356487625 GVWZZKUSNVNWGC-LFDJNIOPSA-N 366.410 0.577 0 1 FCAF CC(=O)OC[C@H]1O[C@H](n2cnc3c(S)nc(N)nc32)C[C@@H]1OC(C)=O 16982351 QSSJHBBNLBQUGT-AEJSXWLSSA-N 367.387 0.480 0 1 FCAF C[C@@H]([C@@H](O)c1ccccc1)N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C 28872365 AHQHLUGQZGJZOR-SWLSCSKDSA-N 369.425 0.766 0 1 FCAF CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC 39814565 CSQNHSGHAPRGPQ-YTFOTSKYSA-N 372.510 0.589 0 1 FCAF biogenic OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOC[C@@H]1C[C@@H]2CC[C@@H]1C2 138854337 ORIVNKPQMLSBHK-ZXVGSPHGSA-N 357.491 0.369 0 1 FCAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(O)nc(S)nc2[nH]1 586929896 IBDVRPWIDDWOIB-UHFFFAOYSA-N 367.412 0.882 0 1 FCAF CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCNC1=O 1911586000 IORBLDUCLFKOJS-XIRDDKMYSA-N 374.485 0.353 0 1 FCAF O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CC2)O1)NCC1CC1 95884803 SQIZVCZSVBGYDX-XLAORIBOSA-N 352.475 0.922 0 1 FCAF C[C@@H]1[C@@H]2CC[C@@H]3[C@@]([C@@H]2O)([C@@H]1O)[C@@]1(O)OC(=O)[C@]32CCCC(C)(C)[C@H]2[C@@H]1O 103138888 HZXNJXNYQASOMR-IPJVHAIESA-N 366.454 0.803 0 1 FCAF C[C@]1(CO)O[C@@H](n2cc(-c3ccsc3)c3c(N)ncnc32)[C@H](O)[C@@H]1O 473149636 JPNMZYALHJAWCG-NOXHYTERSA-N 362.411 0.744 0 1 FCAF CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@H](CNCc1ccccn1)N2CCC 618015444 IDYXMJRWWHDPCU-ULQDDVLXSA-N 374.489 0.859 0 1 FCAF C[C@]1(c2c[nH]c(C(=O)O)c2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963215879 NULUEZPNOBKQMB-LXIYXOSZSA-N 369.381 0.457 0 1 FCAF O=C1NCCN1C1CCN(C(=O)n2sc3c(ccc[n+]3[O-])c2=O)CC1 1772648301 DVKLWKDVRJPFEI-UHFFFAOYSA-N 363.399 0.154 0 1 FCAF Nc1ncnn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc(/C=C/c3ccccc3)c12 1911586110 SLEURXSVSUEDBN-LKKVPXNQSA-N 368.393 0.636 0 1 FCAF COC(=O)[C@H](O)CS[C@@H]1C[C@H](O)[C@H](O)CCCCC[C@H](C)OC1=O 2356734587 ZFDATSVNJAENKD-MEBFFEOJSA-N 364.460 0.630 0 1 FCAF CC1(C)OC[C@@H]2O[C@@]3([C@@H]4OC(C)(C)O[C@H]4CO)OC(C)(C)O[C@@H]3[C@@H]2O1 5963782 AEXMLOVBBGJYHK-VRLCQRPESA-N 360.403 0.897 0 1 FCAF O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1-c1ccc(Br)o1 26471558 SDIRBUIWZUCLRP-BCMRRPTOSA-N 373.159 0.200 0 1 FCAF NS(=O)(=O)c1ccc(CCNSC(=S)N2CCOCC2)cc1 34717896 WFUHXXNSQFFIMM-UHFFFAOYSA-N 361.514 0.731 0 1 FCAF CCN(C[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)COC)S(C)(=O)=O 95895887 JMXAVHBHXJKRLD-VYDXJSESSA-N 370.471 0.270 0 1 FCAF Cc1nc(N)c2c(-c3ccsc3)cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 103249503 NXNKSYLWKBTDKU-XNIJJKJLSA-N 362.411 0.662 0 1 FCAF CCO[P@](=O)(OC[C@@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1)C(=O)NC 169347789 PWGHBLAAPAKTIN-YBCXYELXSA-N 373.302 0.884 0 1 FCAF N[C@]1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CCOC1 587248265 KNSBOVMGMDNKHE-OAHLLOKOSA-N 352.416 0.158 0 1 FCAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H](O)[C@@H](O)CO)N1 587831970 INPNLAFGDJJDCX-XQJPUGBWSA-N 364.211 0.024 0 1 FCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCC3)[C@H](O)[C@@H]2O1)N1CCC(F)(F)C1 2356289823 AKMBESJYOXQBRH-PLPKTUSISA-N 360.401 0.672 0 1 FCAF C[C@H]1C[C@@]23OC(=O)C4=C(O)CC[C@@H](C)C(=O)[C@@H]5[C@@H](O)[C@H]2[C@@H](O)[C@]1(C)O[C@]453 2356803308 WXMZHRVVOZXDJP-YGLYLHGBSA-N 364.394 0.628 0 1 FCAF COc1ccc2c(c1O)[C@@]13CCN(C)[C@@]14C[C@@H]2O[C@@]4(OC)[C@@H](O)[C@@H](O)C3 85508054 XSFZFSOPRBJQAU-AMTPKYOQSA-N 363.410 0.656 0 1 FCAF biogenic,in-vitro CCOC(=O)C(=O)Nc1cccc(NC(=O)C(=O)OCC)c1C(=O)OC 169316017 GIDQBXOLKVBCOK-UHFFFAOYSA-N 366.326 0.476 0 1 FCAF CC1(C)C[C@@]12NC(=O)N(CCNS(=O)(=O)c1ccc(F)cc1)C2=O 299862699 KBJLZBODOFTEIF-HNNXBMFYSA-N 355.391 0.825 0 1 FCAF C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1nnc2c(NCc3ccccc3)ncnc21 1857556478 BQBRYHZEGHOGDL-MCPWVCTESA-N 374.376 0.812 0 1 FCAF O=C(C1=Cc2cccc(OC[C@@H]3CNCCO3)c2OC1)N1CCOCC1 13779600 IVMOCEWMFHUWLQ-INIZCTEOSA-N 360.410 0.688 0 1 FCAF CCOc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(OCC)n1 28388581 OUZCKOBLSZETAF-UHFFFAOYSA-N 353.404 0.929 0 1 FCAF O=C1N[C@H]2[C@@H]3O[P@](=O)(O)O[C@@H]3[C@@H](O)C[C@@H]2c2cc3c(cc21)OCO3 40429815 FYFPNYDLKTVFDF-IAWGOJCDSA-N 355.239 0.260 0 1 FCAF CCCN(c1nnc(S(N)(=O)=O)s1)S(=O)(=O)c1ccccc1 71294341 AYLIPNNGVBTSNB-UHFFFAOYSA-N 362.458 0.791 0 1 FCAF CC[C@@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(CC(=O)OC)c2=O)N1 82208226 KSFHXKDFEDSFKD-GFCCVEGCSA-N 372.381 0.639 0 1 FCAF O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc2ocnc12 115067949 GDUFTFSCUQXPRR-UHFFFAOYSA-N 355.354 0.929 0 1 FCAF CN(C)S(=O)(=O)c1ccc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2c1 587970397 GQBLVPIHYMGSDS-QWRGUYRKSA-N 353.356 0.312 0 1 FCAF COC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 95605086 ASNTVSJBKFGWNM-BPLDGKMQSA-N 357.428 0.745 0 3 FCAF CC1(C)C(=O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O 5762001 DSVGYNOFYJLKLN-XYIXUPOMSA-N 368.470 0.377 0 1 FCAF COc1cc(/C=c2\[nH]c(=O)/c(=C/c3ccccn3)[nH]c2=O)cc(OC)c1 28018197 GXBBKZVOYFFGOE-CQRYCMKKSA-N 351.362 0.133 0 1 FCAF OC[C@H]1O[C@@H](n2cc(F)c3c(-c4nccs4)ncnc32)[C@H](O)[C@@H]1O 45288066 ZTZHMJPENQGAMT-FRJWGUMJSA-N 352.347 0.305 0 1 FCAF C[n+]1cccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)c1 95920604 RQARGWNLRRMMGY-MOPGFXCFSA-O 367.473 0.688 0 1 FCAF in-vitro Cc1cc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c(C)n1 587221834 QQVWAAVIYJGBNP-NXEZZACHSA-N 363.374 0.399 0 1 FCAF Cc1c2c(nn1C)[C@](C[C@@H]1COCCN1)(c1ccccc1)N[C@H](C(=O)O)C2 962714007 PPZWEIZPHVAGKH-SYNHAJSKSA-N 370.453 0.950 0 1 FCAF CC1(C)CC[C@H](O)[C@@]2(CO)[C@@H]3CC[C@@H]4[C@@H](CO)C(=O)[C@@]3([C@@H](O)C[C@H]12)[C@@H]4O 2356674432 HYXNSCPSOANLKF-OYIOTJRSSA-N 368.470 0.092 0 1 FCAF Cc1nc([C@@H]2CCCN(S(=O)(=O)c3cn(C)c(C)n3)C2)cc(=O)[nH]1 23582134 TUGQNTZGIKSQBJ-GFCCVEGCSA-N 351.432 0.689 0 1 FCAF CC[C@H](NC(=O)C1=C[C@H](Oc2ccc(C)c(C)c2)[C@@H](O)[C@@H](O)C1)C(N)=O 25187110 KXGCGMQQWOQRHF-QAETUUGQSA-N 362.426 0.483 0 1 FCAF biogenic CCS(=O)(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)C1CC1)C2 95667642 HDLIXCDSHFLOSF-HOTGVXAUSA-N 364.467 0.787 0 1 FCAF CN1C(=O)NC(=O)[C@H]2[C@H]1N=C(N1CCNCC1)N2CCCc1ccccc1 211129978 NAGQSFHQAMVTCR-CVEARBPZSA-N 370.457 0.072 0 1 FCAF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c(Cl)ncnc3[nH]2)c1 586936503 PYZCMNXGWONOSC-UHFFFAOYSA-N 366.790 0.437 0 1 FCAF CC(=O)N1CCC(N[C@@H]2CO[C@H](CNC(=O)C3CCCC3)[C@@H]2O)CC1 2356286990 BNMWKFNJPCNQSO-BRWVUGGUSA-N 353.463 0.022 0 1 FCAF C[C@@H](NC(=O)CNC(=O)c1ccco1)c1ccc(S(N)(=O)=O)cc1 6083224 AWJDDXRVMRHGBY-SNVBAGLBSA-N 351.384 0.534 0 3 FCAF CCOP(=O)(OCC)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O 28526501 IHNMQYODZISEAH-JBLDHEPKSA-N 364.291 0.383 0 1 FCAF CN(Cc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 29056744 LYBCUOVRKHWMCH-GFOCRRMGSA-N 371.397 0.074 0 1 FCAF C[N+]1=CN[C@H](C(=O)O)C[C@@]1(C)COC(=O)c1cc(Br)c[nH]1 40939958 JLVBXJHKBZBAHE-GWCFXTLKSA-O 359.200 0.810 0 1 FCAF OC[C@H]1O[C@@H](n2cnc3cnc(NCc4ccccc4)nc32)[C@H](O)[C@@H]1O 66103393 DSBRSTIZHWSVMS-IXYNUQLISA-N 357.370 0.050 0 1 FCAF Cc1c(C(N)=O)sc2c1c(=O)n(Cc1ccccc1)c1n[nH]c(=O)n21 84727690 OBPAUEDRJIJYRG-UHFFFAOYSA-N 355.379 0.855 0 1 FCAF CO[C@@]1(C)/C=N\CC(C)(C)NC(=O)[C@@](C)(OC)/C=N/CC(C)(C)NC1=O 105507425 UHZFQYYITQQTCZ-DWEJFGHSSA-N 368.478 0.741 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)ncc2[nH]1 587222499 YQOSIFPXDBCWEZ-BQBZGAKWSA-N 369.765 0.435 0 1 FCAF O=C(Cc1ccc(O)cc1)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12 26148402 SRXZXYIWRQSUGE-BXUZGUMPSA-N 368.798 0.870 0 1 FCAF O=C(O)Cn1ccc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 957921589 CWTSTBOMDAXXRN-UHFFFAOYSA-N 351.384 0.656 0 1 FCAF COC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 1772628001 XVWKFNYNNZFHOB-SMDDNHRTSA-N 359.382 0.872 0 1 FCAF C[C@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)C2CC2)C1=O 1857559786 CZQPOADORFDROM-OAHLLOKOSA-N 351.384 0.080 0 1 FCAF O=C(c1ccccc1)c1cccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1 84561241 JSJXLRUVAQHGHP-IQRFUGTFSA-N 360.362 0.096 0 1 FCAF Nc1nc(Cl)c(-c2nccs2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 84633742 AOYWIBDEIGFTDN-GCXDCGAKSA-N 357.823 0.350 0 1 FCAF COCCNC(=O)C[C@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 95903452 VDLCDRUTPXRABM-OAGGEKHMSA-N 369.462 0.456 0 1 FCAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3c(c(O)nc(=O)n3C)n1C)O2 587389253 GFCRHLJWIPVZNY-NSHDSACASA-N 355.354 0.970 0 1 FCAF COc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1 72124459 GFFNRPFLOPELKU-UONOGXRCSA-N 358.402 0.856 0 1 FCAF CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCOCC2)O1 95885831 OGJYBLVGGJZQKN-TVFCKZIOSA-N 370.490 0.501 0 1 FCAF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCO[C@@H]1C[C@@H]2CC[C@@H]1C2 138853943 FOTVFAVEZDZRSD-UDVZFCQKSA-N 357.491 0.511 0 1 FCAF CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccc(OC)c(OC)c1 169353655 WKHWLWLJZZVBMX-KBPBESRZSA-N 363.370 0.546 0 1 FCAF CCO[C@H]1C[C@@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](OC)[C@H]2O)[C@@H](C)O1 238751949 LYTHASQZLYCEJZ-WPMSVZFXSA-N 350.408 0.040 0 1 FCAF CCS(=O)(=O)N1CCN(C(=O)n2sc3ncccc3c2=O)CC1 1772639299 ZPMUGIUZZATUSS-UHFFFAOYSA-N 356.429 0.393 0 1 FCAF Cn1c(=O)c2c(nc3n2CCN(CCc2ccccc2F)C3)n(C)c1=O 1857561417 SNMAKRVKIOMYCF-UHFFFAOYSA-N 357.389 0.631 0 1 FCAF COc1ccc(C=CC(=O)O[C@@H]2[C@H](C)O[C@H](O)[C@H](OC(C)=O)[C@@H]2O)cc1 2356498020 GWYPCEPXZGWZNI-NKEQUCRHSA-N 366.366 0.650 0 1 FCAF COC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(OC)cc2)[C@@H](CO)O1 95569266 PJOLWCYMJOXMFX-NWANDNLSSA-N 373.427 0.445 0 3 FCAF C=CCO[C@@H]1C[C@H]2C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C(=O)N2C1 12605263 FVFFRMJBUKINGR-IKGGRYGDSA-N 369.421 0.525 0 1 FCAF biogenic C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N3CC[C@H](O)C3)[C@H](C)[C@H]12 29390416 RGVLIQFYPAPJQR-HOTMZDKISA-N 372.468 0.225 0 1 FCAF C[n+]1cn(CCCCC(=O)O)c2nc(NCCCCC(=O)O)nc(O)c21 95921276 SFCJOCVKLRCOMS-UHFFFAOYSA-O 366.398 0.883 0 1 FCAF in-vitro Cc1c(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C 100120779 YNNUVFDHJLOEGF-ZQDZILKHSA-N 351.362 0.927 0 1 FCAF COC(=O)NCc1ccc(O[C@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H](O)[C@H]2O)cc1 238751771 RHLFBIFJRZNCRZ-SQSOSVTJSA-N 369.370 0.320 0 1 FCAF Cn1nccc1CS(=O)(=O)Cc1nc2ccc(-n3cnnn3)cc2[nH]1 586923506 OCQVPGKULKZAIV-UHFFFAOYSA-N 358.387 0.387 0 1 FCAF CCCC=CC=CC1=C(CO)[C@@H]2O[C@H](C(C)(C)O)C[C@]2(O)[C@@H](O)[C@@H]1O 2356347122 JNZPJFJLCQONRT-OREBXVKISA-N 354.443 0.583 0 1 FCAF CC(=O)NC[C@H]1O[C@@H](SC/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O 27767363 VYDGPJBFVVSXTH-BACKNNMESA-N 353.440 0.377 0 1 FCAF COc1ccc([C@]23O[C@](c4ccc(OC)cc4)([C@@H](O)[C@@H]2O)[C@H](O)[C@@H]3O)cc1 2356769973 SOOFHQDWPGSKDQ-YDRVBMSGSA-N 374.389 0.282 0 1 FCAF CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@H](NCc3ccccn3)CN12 2356816181 CYRGHKDWNYDWSI-RCCFBDPRSA-N 373.501 0.761 0 1 FCAF CN1CCN([C@@H]2[C@H]3OC[C@@H](O3)[C@H](NCc3ccc(F)cc3)[C@@H]2O)CC1 2356876363 ZJYPCSGNRAODJB-FPSMNIFISA-N 351.422 0.016 0 1 FCAF Nc1ccn(C[C@H](CO)C[C@@H](c2ccccc2)P(=O)(O)O)c(=O)n1 1633693 OWAHBWHHUTWRNX-YPMHNXCESA-N 353.315 0.743 0 1 FCAF COc1ccccc1N1CCN(CCN2C(=O)C[C@@H](NC(C)=O)C2=O)CC1 40918741 FQOYQKRUODGFJV-OAHLLOKOSA-N 374.441 0.081 0 1 FCAF C[C@]1(O)[C@@H](CO)O[C@H](n2cnc3c(N4CCOCC4)ncnc32)[C@]1(C)F 58650481 RNCNVGGGOBIEFP-BWAGICSOSA-N 367.381 0.032 0 1 FCAF CCCN[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)O)[C@@H](C)CC 70719343 VPFNOFSJVAOADU-ARUSPNSKSA-N 355.435 0.317 0 1 FCAF CCO[C@@H]1N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C(O)[C@@]1(C)Br 84758853 BMLVQJNITGJOAB-QQGIPPOESA-N 367.196 0.363 0 1 FCAF O=C(O)C[C@H]1CCN(C(=O)c2ccno2)C[C@H]1CCN1CCOCC1 2356815387 CQTQZJRWBYTOCJ-ZIAGYGMSSA-N 351.403 0.950 0 1 FCAF C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3ccccc3)ncnc21 13610734 IKAOBYHDMSOSMX-AXYPVASZSA-N 371.397 0.440 0 1 FCAF Cc1cccc(OCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)c1 95552853 LNPDMDOCPRTAPG-FCGDIQPGSA-N 353.459 0.693 0 1 FCAF CCS(=O)(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)C1CC1)C2 95667279 HDLIXCDSHFLOSF-HZPDHXFCSA-N 364.467 0.787 0 1 FCAF CN(C)CC(=O)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO 95903644 AWWMRDPCWOFXFI-FMKPAKJESA-N 351.451 0.132 0 1 FCAF N[C@H](Cc1nc2ccc(F)cc2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587218728 IDMGQZNJPZSKMX-SCZZXKLOSA-N 352.322 0.006 0 1 FCAF O=C1Nc2ccccc2-n2nnnc2[C@@H]1N1CCN(c2ccccn2)CC1 95570804 NDTDVWJHOXOMNE-INIZCTEOSA-N 362.397 0.873 0 3 FCAF NCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)CCN2 82204749 DDTIIAHXPOIOCQ-UHFFFAOYSA-N 365.393 0.534 0 1 FCAF COCc1ccc2c(N3CCOC[C@@H]3C)nc(-c3cnc(=N)[nH]c3)nn12 473107774 KQAFWWHWJXAIMV-NSHDSACASA-N 355.402 0.970 0 1 FCAF CNS(=O)(=O)N1CCC(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC1 586954488 IUHXKGNJQHWJOQ-ZDUSSCGKSA-N 352.420 0.930 0 1 FCAF CNS(=O)(=O)N1CCC(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CC1 586954912 AXEBEXKTYZIUFE-UHFFFAOYSA-N 374.444 0.453 0 1 FCAF Cc1ccccc1-n1c(C)cn2c3c(=O)n(CCO)c(=O)n(C)c3nc12 621431363 SDYHRPQFLCXJAJ-UHFFFAOYSA-N 353.382 0.748 0 1 FCAF CN1CCN(C(=O)CCNC(=O)c2c(O)c3ccccc3n(C)c2=O)CC1 1772616369 SMWCAZRZAZUCTL-UHFFFAOYSA-N 372.425 0.138 0 1 FCAF C[C@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)[C@H]2CCCN2C1=O 7998200 WEIBXJAHDOYEPP-IGQOVBAYSA-N 366.414 0.341 0 1 FCAF C[C@](O)(C[C@H]1C=C(CO)C(=O)O1)[C@@H]1COc2ccc3ccc(=O)oc3c2O1 13399301 GDPHCYVELMTBIG-UHYGZKCKSA-N 374.345 0.918 0 1 FCAF biogenic NCCCC[C@@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O 27552485 BWAPUKBOGBNVIL-LLVKDONJSA-N 360.461 0.203 0 1 FCAF OC[C@@H]1O[C@@H](n2cnc3c(Nc4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1O 36113845 LFUHYAZTIWDXOX-MZXFEWSRSA-N 361.333 0.321 0 1 FCAF CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O 39828643 HNDWYLYAYNBWMP-AJNGGQMLSA-N 372.510 0.589 0 1 FCAF biogenic CCc1ccc(Cc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1 84587431 MNYPIKHXJLAXFI-OBKDMQGPSA-N 359.422 0.750 0 1 FCAF O=C(O)CSCC(=O)NCCN1CCN(Cc2cccnc2)CC1 103379762 BHMGPGFQCCUGJO-UHFFFAOYSA-N 352.460 0.133 0 1 FCAF N[C@H]1CCN(c2nc3c(cc2O)c(=O)c(C(=O)O)cn3-c2nccs2)C1 26175280 LTZRZMLSFVHYMD-QMMMGPOBSA-N 373.394 0.783 0 1 FCAF CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)CF 28391717 PXRNFZWCDGGNCL-DYVFJYSZSA-N 366.389 0.868 0 1 FCAF CC(C)(C)Cn1c(Cn2ccnc2P(=O)(O)O)nc2c(N)ncnc21 40939710 MPLGBKZUDNWUSG-UHFFFAOYSA-N 365.334 0.502 0 1 FCAF Cc1c(C(=O)N2CCc3n[nH]cc3C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857584920 VFMWMWRPOVCMBL-UHFFFAOYSA-N 364.369 0.438 0 1 FCAF COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(OC)c(OC)cc1OC 3315756 NDSHETCLKRCUKC-NSHDSACASA-N 366.370 0.216 0 3 FCAF O=P(O)(O)C(O)(CCN1CC[C@H](c2ccccc2)C1)P(=O)(O)O 27194842 YOXLICBFUZYKFK-LBPRGKRZSA-N 365.259 0.868 0 1 FCAF CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(C)=O 40395187 IYJMKTZAMJWCQH-JLHDYFKBSA-N 354.355 0.177 0 1 FCAF in-vitro CC(C)NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO 95908200 DMROSRCUXVWXJU-BZUAXINKSA-N 371.478 0.535 0 1 FCAF CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](c1cscn1)N2CCOC 618013172 LBVDJODHPCGCHT-RWMBFGLXSA-N 353.448 0.740 0 1 FCAF Cc1cccc(OCC2(CNC(=O)N3CCOCC3)C[C@H](O)[C@@H](O)C2)n1 2356596359 HBNAPDANQLNKCE-GJZGRUSLSA-N 365.430 0.313 0 1 FCAF COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](N3CCCC3)[C@H]2O)cc1 2356867436 WRVDWZMEVXAYOZ-NRKLIOEPSA-N 363.414 0.766 0 1 FCAF CCN1CCN(c2cnn(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2)CC1 1857539069 VEEDWNISCIZQOY-UHFFFAOYSA-N 363.443 0.022 0 1 FCAF CCCCN1C(=O)[C@@H]2C[C@H](O)CN2C2(CN(Cc3cccs3)C2)C1=O 2356380533 JFKWKDWHLKMEJK-ZFWWWQNUSA-N 363.483 0.907 0 1 FCAF CC(=O)OCCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2C1 13558352 YTDDQLNNZFIYQX-ZBFHGGJFSA-N 372.377 0.620 0 1 FCAF Nc1nc(N2CCCC2)c2ncn(C[C@@H](CF)OCP(=O)(O)O)c2n1 71317610 FOVANXUAPNKSDQ-SECBINFHSA-N 374.313 0.499 0 1 FCAF CN(C)C(=O)[C@H]1N[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]2[C@@H]1CO 95881634 HRNJAQRGDGXKJI-ONIAQPFYSA-N 371.412 0.994 0 1 FCAF O=C1c2[nH]c3cc(-c4ccco4)nn3c(=O)c2CN1CCN1CCOCC1 102240846 GXSMVXUBYGCROP-UHFFFAOYSA-N 369.381 0.571 0 1 FCAF CC1(C)[C@@H](O)C[C@@H]2[C@@]1(O)[C@@H](O)C[C@]13C[C@@](C)(O)[C@@H](CC[C@@H]1[C@@]2(C)O)[C@H]3O 169373119 BWMFRQKICHXLSH-QFKHZKKPSA-N 370.486 0.168 0 1 FCAF O=C(CCCc1cn2c(n1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2CO)Nc1ccccc1 169697561 NFCRLBOYIVLLLQ-LLLHUVSDSA-N 361.398 0.147 0 1 FCAF CCO[C@H]1C=C[C@H](O)[C@@H](OC(C)=O)[C@@]1(O)COC(=O)c1ccccc1 200705471 RAQCBIPYAKMRKB-LISAXSMJSA-N 350.367 0.842 0 1 FCAF O=C1NC[C@@H]2c3c(cccc31)CCN2CC(=O)N1C[C@@H]2CCCN[C@H]2C1 261127969 KOMJGGQZGQXNRW-BHYGNILZSA-N 354.454 0.540 0 1 FCAF COCCNC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21 3906812 IXKFXIQLUZWUNG-UHFFFAOYSA-N 367.405 0.974 0 1 FCAF COC(=O)Cn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@H](C)N2 82207057 WNGVEGMRQDDTFP-NSHDSACASA-N 350.419 0.989 0 1 FCAF CCNC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2CCC(F)(F)F 95879657 AFNQEEWGCRZGFB-OBCWZRDOSA-N 373.375 0.900 0 1 FCAF CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1 95887792 XUIBJKJBLJUMMA-TWMKSMIVSA-N 368.474 0.791 0 1 FCAF COc1cccc(C(=O)N[C@@H]2CON(CCc3c[nH]cn3)C2=O)c1OC 299832352 LRAKQNRFUDNDSK-CYBMUJFWSA-N 360.370 0.542 0 1 FCAF COc1ccc([C@]23O[C@](c4ccc(OC)cc4)([C@@H](O)[C@H]2O)[C@H](O)[C@H]3O)cc1 2356769970 SOOFHQDWPGSKDQ-CPPNMTBBSA-N 374.389 0.282 0 1 FCAF CCN1CCC[C@H]1CNC(=O)CN(C)c1nnc(N2CCCC2=O)s1 6798728 VPIBTTNAWSUXLH-LBPRGKRZSA-N 366.491 0.702 0 1 FCAF CCCCN(CC)c1ncnc2c1cnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49055099 YKWDYCQQGOSEOH-BRXULGCHSA-N 351.407 0.064 0 1 FCAF CC(=O)OC[C@H]1O[C@@H](OC/C=C(\C)[C@@H](O)CC=C(C)C)[C@H](O)[C@@H](O)[C@@H]1O 238741273 LJCGTVANQJWUDP-ZJTDOJAJSA-N 374.430 0.037 0 1 FCAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@H](O)C(=O)O)nc2c1 586889051 LDKXEFYFMXVYOF-ZJUUUORDSA-N 373.159 0.981 0 1 FCAF CC(=O)N[C@@H](CCCCNC(=O)c1cccc(OCC(=O)O)c1)C(N)=O 35075400 LSQTYRMSUQFYJU-AWEZNQCLSA-N 365.386 0.040 0 1 FCAF Nc1nc(OC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O 72177207 DZQYPUUPXBXYGL-IDTAVKCVSA-N 353.354 0.319 0 1 FCAF CC(C)NC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)CN(C)C)C2 95794638 CURDFIDYUHCYNQ-AEFFLSMTSA-N 374.485 0.707 0 1 FCAF COc1ncnc2c1c(-c1ccsc1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 103253270 ZQOMAVUUELJHCB-XNIJJKJLSA-N 363.395 0.780 0 1 FCAF Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(Br)cc21 103265028 HGAGTLBOGDXJGA-UHFFFAOYSA-N 355.144 0.821 0 1 FCAF Nc1cnc(-c2nc3cc(C(=O)N4CCN(CCO)CC4)ccc3[nH]2)nc1 587252940 URPINBUYOADGAD-UHFFFAOYSA-N 367.413 0.352 0 1 FCAF CC(=O)CS[C@@H]1N[C@H]2[C@@H](C(=O)NC(=O)N2C)N1Cc1cccc(C)c1 618016096 BHVRMFPRKQAMJR-JJRVBVJISA-N 362.455 0.882 0 1 FCAF N=C(N)N1CCN(C(=O)c2cn(C34CC5CC(CC(C5)C3)C4)nn2)CC1 1772577049 MHBSUSCFEANJBC-UHFFFAOYSA-N 357.462 0.855 0 1 FCAF O=S(=O)(N[C@@H]1[C@H](c2cncnc2)C[C@@H](O)[C@H]1O)c1ccc(Cl)cc1 2356286658 KLDONYYBUPBXDU-GBJTYRQASA-N 369.830 0.686 0 1 FCAF CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(=O)O 2356709064 NLZVTPYXYXMCIP-DGAVXFQQSA-N 356.467 0.049 0 1 FCAF CCCCN1C[C@@H](N2CCN(C3CCN(C)CC3)CC2)CS1(=O)=O 72134823 CYQPQNAKWITNOF-QGZVFWFLSA-N 358.552 0.512 0 3 FCAF O=C1N[C@H](Cc2cccs2)C(=O)N2CCN(C(=O)c3ccco3)C[C@@H]12 25412141 JPBHWXBFGYKEFE-OLZOCXBDSA-N 359.407 0.735 0 1 FCAF biogenic CCCCNS(=O)(=O)n1nc(C(=O)NC)c2ccc3[nH]ncc3c21 28127565 UTIBCXNETTZDGG-UHFFFAOYSA-N 350.404 0.755 0 1 FCAF OCc1cccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1 84566747 SIOOVWSSIKSERX-GFEQUFNTSA-N 362.378 0.025 0 1 FCAF O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(S(=O)(=O)N2CCCC2)cc1 101682736 OZACSBBVZJZQEF-YHUYYLMFSA-N 374.418 0.914 0 1 FCAF CC(=O)OCC1=C2/C(=C/[C@@]3(C)CC[C@](O)(O3)[C@@](C)(O)C[C@@H]2O)OC1=O 105381535 VXLRPFBAXXIUFB-NDEWXOGISA-N 354.355 0.060 0 1 FCAF O=C(c1ccc2nc(CC3OCCO3)[nH]c2c1)N1CCN(CCO)CC1 586908867 UAJNBRKHAYLUIV-UHFFFAOYSA-N 360.414 0.228 0 1 FCAF CN(C)c1ncnc2c1c1sccc1n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1772656786 XAUVOEYVDZCQIO-ORXWAGORSA-N 350.400 0.324 0 1 FCAF N=c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)c[nH]1 1857575431 IWAABGNHPAYUJJ-SJORKVTESA-N 367.453 0.671 0 1 FCAF O=C1CC[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@H]2[C@H](O)[C@@H](O)C3=O 2356720319 WUCMTTYUUQBEMP-GTAWCEEGSA-N 368.341 0.944 0 1 FCAF N=C(N)NCCCC[C@H](NC(=O)c1cc(Br)c[nH]1)C(=O)O 13379811 BIHDWFUHHKBZNN-QMMMGPOBSA-N 360.212 0.614 0 1 FCAF biogenic CCCCCSc1ncnc2c1cnn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49020700 LILYXUUSSMBXLP-BLTAXRJOSA-N 354.432 0.720 0 1 FCAF O=C1c2cc3c(cc2OCN1CCn1nccn1)C(=O)N1CCC[C@H]1O3 72175254 HDHNGAVARSCCQD-OAHLLOKOSA-N 355.354 0.725 0 1 FCAF CC(=O)OCC1=C2C(=C[C@@]3(C)CC[C@@](O)(O3)[C@](C)(O)C[C@H]2O)OC1=O 2356389470 VXLRPFBAXXIUFB-GAEVZRCVSA-N 354.355 0.060 0 1 FCAF O=C1c2[nH]cc3c2C2=C4[C@@H]1N[C@H]1C[C@@]45C(=C[C@H](O)[C@@H]([C@@H]5O)N2CC3)S1 2356824556 GWBRHAMWIIHNKW-KMTZAGQASA-N 355.419 0.203 0 1 FCAF OC[C@H]1O[C@@H](n2cnc3c(-c4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O 13673100 IRCFHVHNDBLUBW-DSPGLSBSSA-N 362.773 0.758 0 1 FCAF O=c1c2ncn(C[C@]3(CO)C[C@@H]3CO)c2nc2[nH]c(-c3ccco3)cn12 101822645 WPCHDHATOOVMQX-QGHHPUGFSA-N 355.354 0.623 0 1 FCAF COC(=O)[C@H]1C=NN[C@@H]1C(=O)N1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 102947063 NSWMFSVTQOTTRV-VZTWBHMWSA-N 369.443 0.100 0 1 FCAF O=C1NC(=O)C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)N1 587594615 LWSLEQHBWGRTTP-LLVKDONJSA-N 354.274 0.459 0 1 FCAF CN(C)C[C@@H]1O[C@@H]2C[C@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]2[C@@H]1O 2356308704 PDWDFEMUDYFVLB-XHHISWJOSA-N 352.406 0.679 0 1 FCAF O=C1N[C@H](c2ccccc2)CC(=O)N2C(Cl)=CC[C@@H]2C(=O)N[C@H]1CO 2356384383 HYCDAFKGSCALDQ-RWMBFGLXSA-N 363.801 0.406 0 1 FCAF O=C1N[C@H](c2ccccc2)CC(=O)N2C(Cl)=CC[C@@H]2C(=O)N[C@@H]1CO 2356384385 HYCDAFKGSCALDQ-YNEHKIRRSA-N 363.801 0.406 0 1 FCAF O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(C(=O)C3CCCC3)C[C@@H]12 2356844146 NRZFVCDJMORVCV-IRXDYDNUSA-N 355.438 0.957 0 1 FCAF COC(=O)c1cccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1 6520154 CIYFZXLBQJIJHC-UHFFFAOYSA-N 366.395 0.749 0 1 FCAF COc1ccc(CNCC(N)=O)cc1OC[C@H](O)CN1CCCCC1 12029136 RLYUSJXPLIQMMS-OAHLLOKOSA-N 351.447 0.496 0 1 FCAF CC(C)C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 39034766 XFNMDMGNNKIXBT-CVEARBPZSA-N 359.474 0.951 0 1 FCAF in-vivo CC1(C)S[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)S1 66077124 BXKCEIODGKEUNQ-APQOSEDMSA-N 351.402 0.459 0 1 FCAF CCNC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 95906548 SRPGMYIGJWTTHA-FVQBIDKESA-N 368.455 0.484 0 1 FCAF OC[C@H]1O[C@H](n2cnc3c(NC[C@@H]4C[C@H]5C=C[C@H]4C5)ncnc32)[C@H](O)[C@@H]1O 102027189 HOIMDJVHLZFLPK-XWMDJABNSA-N 373.413 0.062 0 1 FCAF Nc1nccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 587182186 MNWVDLGUWQXNQQ-UHFFFAOYSA-N 370.110 1.013 0 1 FCAF O=C(NC[C@@H]1O[C@H](CO)[C@H](O)[C@H]1N1CCc2ccccc2C1)C1CCCC1 2356820962 FQADGBKIHLKVTJ-YRPNKDGESA-N 374.481 0.840 0 1 FCAF Nc1ncnc2c1ncn2[C@H]1O[C@H](CSCc2ccccc2)[C@@H](O)[C@H]1O 48999823 FEUWMZLAKGHCOJ-GDLHICMESA-N 373.438 0.961 0 1 FCAF O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)c1ccccc1 95881225 PQUNPQFCUNBFRK-IRWJRLHMSA-N 354.362 0.737 0 1 FCAF CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1 95885282 LKURNHMJNKZKIW-TWMKSMIVSA-N 368.474 0.839 0 1 FCAF COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)OC)O[C@@H](CO)[C@H]1O2 95900058 UQOQCOXZGHGBJV-NYBLNRJDSA-N 365.382 0.829 0 1 FCAF Nc1nc(NC2CC2)c2ncn(C[C@H](CF)OCCP(=O)(O)O)c2n1 96913318 PLZLFZJBEMUBHX-VIFPVBQESA-N 374.313 0.515 0 1 FCAF C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@H](OC1=O)[C@@H]23 238755626 NPYPUYCITBTPSF-RHHXXPGNSA-N 351.399 0.164 0 1 FCAF C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@@]2(O)CC[C@](C)(O)[C@@H]42)[C@]13C 257541091 SHKTYUCWKCFSRV-HGQVRHHGSA-N 368.470 0.391 0 1 FCAF endogenous,in-man COc1cc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2cn1 586936086 MTOFAQNIMNVAMM-UHFFFAOYSA-N 361.383 0.397 0 1 FCAF Cc1ccc2nc(C[C@@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c2c1C 587222861 USGPVVHZFPLJDW-ZYHUDNBSSA-N 362.386 0.484 0 1 FCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@H](O)[C@@H](O)CO)N1 587834273 RDYGSNMRYVVLSB-UHSDGGDUSA-N 364.211 0.239 0 1 FCAF COCCN1C[C@H](c2ccccc2)n2cc(C(=O)O)c(=O)c(O)c2C1=O 1857546330 VOBQRLYSVSLONA-CYBMUJFWSA-N 358.350 0.944 0 1 FCAF CC1(C)CCC[C@@]2(C)[C@H](C=C[C@](C)(O)[C@@H](O)CO)[C@](C)(O)[C@H](O)[C@H](O)[C@H]12 2356732201 FWILCTKPZALIAU-CXULOJLESA-N 372.502 0.582 0 1 FCAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNc3cccc[n+]3C)C[C@H]12 27524524 BTSKPASWFNDISM-JTNHKYCSSA-O 364.447 0.564 0 1 FCAF NCCCCCNC(=O)[C@H]1C[C@H]2C(=O)NCC(=O)N2[C@H]1c1ccc(O)cc1 36376779 VFOBRQACALCCMO-ZOBUZTSGSA-N 374.441 0.025 0 1 FCAF OC[C@H]1O[C@H](n2ncc3c(OCc4ccccc4)ccnc32)[C@H](O)[C@@H]1O 49785847 CQMQPILFEPGWIC-KONPQCLYSA-N 357.366 0.622 0 1 FCAF CCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccccc2OC)O[C@H]1CO 95906028 TYONUPOIPWMRQR-INMHGKMJSA-N 362.426 0.912 0 1 FCAF C[C@H]1[C@H]2[C@H]3O[C@@]4(O)C[C@@](C)([C@@H]5C[C@@H]([C@@H](C)CO)[C@]4(C)[C@@]53O)[C@]2(O)C[C@H]1O 104371281 HQUSKUTUDDZKOD-JXQMVDNQSA-N 368.470 0.247 0 1 FCAF in-man Cc1cc(=O)n(Cc2cc(CN)cc(C(F)(F)F)n2)c(=O)n1CCO 1857585410 VONPPEBXQFZBNY-UHFFFAOYSA-N 358.320 0.232 0 1 FCAF COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(C(=O)COC)CC[C@@]1(C)O 2356439168 GSEYVMBSPIWOFN-KZNAEPCWSA-N 350.415 0.489 0 1 FCAF CC[C@H]1CC[C@@H](CC)N1C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O 13778800 JYEFPZPGDOKWJK-SZWZKDINSA-N 353.419 0.365 0 1 FCAF CC=C1CN2CC[C@]3(O)c4ccccc4N4[C@@H](C(=O)OC)[C@H]1C[C@H]2[C@]43O 2356552287 LDIJTOICDZARKZ-XRPQVBHESA-N 356.422 0.979 0 1 FCAF O=P(O)(O)C[C@H]1CC[C@H](CP(=O)(O)O)[C@H](CP(=O)(O)O)C1 26834231 LWUIJNAXSFEQIU-YIZRAAEISA-N 366.180 0.552 0 1 FCAF CN(C)Cc1cn([C@@H]2CO[C@@H]3[C@@H](NCc4cccc(C#N)c4)CO[C@@H]32)nn1 36367590 ASVVALHHQXEQAN-WJFTUGDTSA-N 368.441 0.708 0 1 FCAF biogenic CNC(=O)CC[C@@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)NC 49051014 RUFKYVSBZLSAAY-CQSZACIVSA-N 363.439 0.759 0 1 FCAF Nc1ncc(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cn1 66080533 VSQDJYYVAYRMKC-UHFFFAOYSA-N 366.389 0.468 0 1 FCAF CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccncc2)O1 95887202 MKIQWJGRPCGZSV-VSZNYVQBSA-N 363.458 0.717 0 1 FCAF COC(=O)[C@@]12COC[C@@H](O)[C@@]3(CO)[C@H]1CCN3Cc1c2[nH]c2ccccc12 2356672532 NFFDWQHQHAKJON-ACZWYYKOSA-N 372.421 0.536 0 1 FCAF CCOC(=O)C1CCN(C(=O)Cn2nc(CC)n3cccc3c2=O)CC1 6799638 SVSZBHAJOOZKEM-UHFFFAOYSA-N 360.414 0.860 0 3 FCAF COc1ccc(C(=O)[C@]2(C(=O)NCCO)CC(c3ccccn3)=NO2)cc1 203474130 BOUPGHCQBLPWMH-IBGZPJMESA-N 369.377 0.945 0 3 FCAF CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccccn3)CN21 35442312 CYRGHKDWNYDWSI-KSZLIROESA-N 373.501 0.761 0 1 FCAF biogenic CCO[C@@H](C1=C[C@@H]2C(C)=NN(c3ccccc3)[C@H]2N=C1)[C@H](O)[C@@H](O)CO 40876674 GFNJIPHRIRTWSI-MTHXSQLBSA-N 359.426 0.955 0 1 FCAF CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)c2cnccn2)C1 299875357 CUXABXMNNRGLJU-GUTXKFCHSA-N 350.419 0.373 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cccc(O)c2[nH]1 587217533 BKRIPXNCYNWKNM-APPZFPTMSA-N 350.331 0.093 0 1 FCAF CCNC(=S)Nc1cc(-n2cnc(CN3CCN(C)CC3)c2)ncn1 1772637810 HKYGYTXRCBZVKF-UHFFFAOYSA-N 360.491 0.716 0 1 FCAF COc1ccc(C23OC(c4ccc(OC)cc4)([C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]3O)cc1 1857643672 SOOFHQDWPGSKDQ-ZLHCHQMRSA-N 374.389 0.282 0 1 FCAF O=C(COc1ccccc1)NC[C@@]1(COc2cnccn2)C[C@H](O)[C@H](O)C1 2356298596 NNERFCKRIAGEMH-MNZLEMJZSA-N 373.409 0.553 0 1 FCAF CC=C1CN2CC[C@]3(O)c4ccccc4N4[C@H](C(=O)OC)[C@H]1C[C@H]2[C@]43O 2356552285 LDIJTOICDZARKZ-BIEQGAHLSA-N 356.422 0.979 0 1 FCAF CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@]12C 2356558060 KRWCNBMWXYBJMM-XFHKCVFHSA-N 355.431 0.634 0 1 FCAF CCNC(=O)O[C@@H]1CO[C@@H]2[C@H](NC(=O)COc3ccccc3)CO[C@@H]12 2356872901 YDXLMKSSNXSNKK-XOUADPBQSA-N 350.371 0.463 0 1 FCAF CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2snnc2C)C1 61903755 SYKSDWPKWKZDKA-CYBMUJFWSA-N 360.461 0.555 0 3 FCAF CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(F)c2)[nH]c1=O 3819467 XTHFQCZCMCZXCC-SFGFDRCGSA-N 354.385 0.881 0 1 FCAF Nc1nc(OCC2CCC2)nc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O 43207360 LDORCIAXTFUAFE-IDTAVKCVSA-N 353.354 0.176 0 1 FCAF CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1cnccn1 95794668 RHAVUTYZJCRYQJ-DLBZAZTESA-N 352.394 0.678 0 1 FCAF OC[C@H]1O[C@@H](c2nnc(-c3ccc4ccccc4c3)o2)[C@H](O)[C@@H](O)[C@@H]1O 96888402 XIGFGGXSJPECBW-IBEHDNSVSA-N 358.350 0.405 0 1 FCAF CC(C)(C)c1ccc(-c2n[nH]c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1 169311032 LQDZRUQPMONVFO-UXXRCYHCSA-N 363.414 0.284 0 1 FCAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2c1 586884873 AZXBIQNICYGNMB-RYUDHWBXSA-N 357.388 0.120 0 1 FCAF CN(C)S(=O)(=O)c1ccc(OCc2nc3c(O)nc(N)nc3[nH]2)cc1 586931860 NBJKKXMVIHDBJM-UHFFFAOYSA-N 364.387 0.470 0 1 FCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)N1 587830728 UJWHGAUUAGNGBG-WSKCNASTSA-N 364.211 0.239 0 1 FCAF O[C@@H]1[C@H](Cn2cc(-c3cccnc3)nn2)C[C@@H](NC2CCOCC2)[C@H]1O 2356290110 JRIDSKJXCXCQRK-PAYONLEZSA-N 359.430 0.219 0 1 FCAF C[C@H]1C[C@@]23OC(=O)[C@H]4C(=O)CC[C@@H](C)C(=O)C[C@@H]4[C@H]2[C@@H](O)[C@]1(C)OC3=O 2356378011 SSTZMQDHQKBAOO-JDMUYXHESA-N 364.394 0.805 0 1 FCAF CC(=O)CCC1=C(C)CC[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1(C)C 2356459520 PCUDAQRRXUJHQH-ZXXIGWHRSA-N 372.458 0.677 0 1 FCAF COc1cccc2c1cc1c(=O)n(CC(=O)N3CCOCC3)nc(C)n12 6749798 OPRGZQWGVRLTCZ-UHFFFAOYSA-N 356.382 0.825 0 1 FCAF CC[C@@H](C)[C@H](NC(=O)[C@H]1O[C@H]1NCC(C)C)C(=O)N1CCC[C@@H]1C(=O)O 70719348 OCZXKCAOQZRBLU-XYFZXANASA-N 369.462 0.563 0 1 FCAF Nc1nc(-c2cc(N3C[C@H](O)[C@@H](O)C3)ccc2O)cc(C2CCNCC2)n1 72109021 OXUJEFSIVFXBIB-ROUUACIJSA-N 371.441 0.440 0 1 FCAF COc1ccc(/C=C2\NC(=O)N(C[C@H](O)CN3CCOCC3)C2=O)cc1 95594316 YUTJDUZXQJTKMI-KWZJRMENSA-N 361.398 0.281 0 1 FCAF CCCCCC(=O)Nc1nc(N)nc2c1ncn2[C@H]1CO[C@@H](CO)O1 299828836 HKELJVCTVCAGCM-GHMZBOCLSA-N 350.379 0.791 0 1 FCAF CN1C(=O)[C@@H]2C[C@H](O)CN2C2(CN(Cc3cnc4ccccc4c3)C2)C1=O 2356567231 MUYHVMVQANLDOQ-RDJZCZTQSA-N 366.421 0.223 0 1 FCAF CN(CCc1ccccc1)[C@@H]1[C@H](CNCc2ccccn2)O[C@@H](CO)[C@H]1O 2356827308 HPMSMOJYYOJUAS-UWHLTILDSA-N 371.481 0.835 0 1 FCAF O=C(OCCN1CCOCC1)c1ccc(OCCN2CCOCC2)cc1 26568944 UBNMBEFRRHKITP-UHFFFAOYSA-N 364.442 0.887 0 3 FCAF C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3n(C)cc[n+]3C)[C@H](C)[C@@H]12 27705415 SAKUSHQKFLYAAS-DMWPJOQESA-O 352.436 0.237 0 1 FCAF CCN1CCC[C@@H]1CNC(=O)c1cc(NS(N)(=O)=O)ccc1OC 33857369 JEJNOOWNOVKPAM-GFCCVEGCSA-N 356.448 0.525 0 1 FCAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1C(=O)OCC(N)=O 101640429 KSEPAOQMIFTJJQ-UQRISPGASA-N 354.359 0.749 0 1 FCAF CC[C@@]1(O)CN[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]2[C@H]1[C@@H]3O 473110524 WPBBGAHDYHELMX-AAGOSNAUSA-N 374.437 0.341 0 1 FCAF CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1OC(=O)[C@H]1C(C)C)C(C)C)C(=O)O 473135965 LYUCHIIJQVXUQP-HTVCTNPSSA-N 370.446 0.940 0 1 FCAF Cc1cc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c(C)n1 587221836 QQVWAAVIYJGBNP-VHSXEESVSA-N 363.374 0.399 0 1 FCAF O=C(NC[C@@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@H]1O)N1CCOCC1 2356321959 JFXHQOUYBPUBNM-HZSPNIEDSA-N 363.405 0.324 0 1 FCAF COC(=O)[C@@H]1[C@H](O)[C@@]23C=CCN4C[C@@](O)([C@@H]2C)[C@@]2(c5ccccc5N[C@@H]12)[C@H]43 2356399341 SSDQGZDVMVZYAC-CBTUGTBTSA-N 368.433 0.503 0 1 FCAF O=C(O)C[C@@H]1CCN(C(=O)c2ccno2)C[C@H]1CCN1CCOCC1 2356815386 CQTQZJRWBYTOCJ-UONOGXRCSA-N 351.403 0.950 0 1 FCAF COc1ccc2c(c1OC)=CN1[C](C=2)c2cc3c(cc2C[C@@H]1O)OCO3 2356854837 FZRVKSLGRZAOFB-IBGZPJMESA-N 352.366 0.721 0 1 FCAF C[C@H](OC(=O)NCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)CF 28125242 VBXNGPWYJLXTGE-JQWIXIFHSA-N 354.334 0.799 0 1 FCAF O=C1[C@H]2CCCN2C(=O)[C@@H]2C[C@H](NS(=O)(=O)c3cccs3)CCN12 36353835 GQWLMLXHIQFTMV-UTUOFQBUSA-N 369.468 0.391 0 1 FCAF biogenic CC[C@H](C)[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O 39809784 SDUBQHUJJWQTEU-FQUUOJAGSA-N 358.483 0.199 0 1 FCAF biogenic COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1CC1CCOCC1 95884653 HJKBIQDSPUJSJY-KJWYOANISA-N 362.426 0.412 0 1 FCAF O=C(NCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1[C@@H](O)CO 95920866 KPSYULVHJGJVEA-ULQDDVLXSA-N 361.442 0.705 0 1 FCAF in-vitro C[C@H]1NC(=O)NC(=O)[C@H]1CCC(=O)Nc1ccn(Cc2ccccn2)n1 208962930 GMXILNHYGYPXFN-YPMHNXCESA-N 356.386 0.889 0 1 FCAF O=C(O)Cn1cc(I)c(-c2nc3cnncc3[nH]2)n1 587184554 BRWQKLGCJBEKDE-UHFFFAOYSA-N 370.110 0.906 0 1 FCAF OC[C@@H]1O[C@H](O)[C@H](N[C]2c3ccccc3Nc3ccccc32)[C@@H](O)[C@@H]1O 2356838262 NJPRZJUAHGHFEG-IJCBKZNRSA-N 357.386 0.061 0 1 FCAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2Cc1ccncc1 206064838 STSYVKFUGHKZGD-WCZJQEMASA-N 355.394 0.580 0 3 FCAF COC(=O)[C@@H]1CN(C(=O)CSC)CCN1C(=O)c1ccc(OC)cc1 4270694 GIEKBTSNYSGBJH-AWEZNQCLSA-N 366.439 0.884 0 1 FCAF biogenic O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1OCCCc1ccccc1 17252086 PKAUUFQQSOSZIW-NUEKZKHPSA-N 362.382 0.189 0 1 FCAF O=C(C1CCNCC1)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 25430817 PERHQVRLELBMGI-INIZCTEOSA-N 356.426 0.661 0 1 FCAF biogenic COc1cccc(CNC(=O)C[C@@H]2CC[C@@H](NC(C)=O)[C@H](CO)O2)c1 95677351 QHWKOKDSIMAAGX-BBWFWOEESA-N 350.415 0.746 0 1 FCAF COC(=O)CC(CC(=O)OC)(C(C)=O)c1ccc2c(O)nc(O)nc2n1 587559545 KIGFOAHAMCQOLI-UHFFFAOYSA-N 363.326 0.389 0 1 FCAF O=C(C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@H](O)[C@@H]1O)Nc1ccccc1 2356611343 SYNGCFPKQRJTNB-IDCNUPLLSA-N 362.426 0.811 0 1 FCAF CCC1=N[C@H]2C[C@]3(C(=O)N(OC)c4ccccc43)[C@H]3OC[C@H]2[C@@]1(O)[C@@H]3O 2356692061 HVRXIIBZQVCBAF-AOXQZJPRSA-N 358.394 0.576 0 1 FCAF O=C1Nc2cc(C(=O)N3CCOCC3)ccc2S[C@@H]1N1CCOCC1 20723800 PODBXURVLWQIBF-KRWDZBQOSA-N 363.439 0.862 0 3 FCAF Cc1ccccc1CNC(=O)c1csc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1 61895504 YTJVYLCPTQIOLJ-KBUPBQIOSA-N 364.423 0.536 0 3 FCAF COC(=O)[C@@H]1CN(C(=O)C2CCNCC2)CCN1C(=O)C1CCCCC1 4270676 WRGFVRGLKHKMNY-INIZCTEOSA-N 365.474 0.779 0 1 FCAF biogenic Cc1cccn2c(=O)c3cc(C(=O)N[C@@H]4CCS(=O)(=O)C4)n(C)c3nc12 4671266 HRTCJGCIECYFDN-LLVKDONJSA-N 374.422 0.412 0 1 FCAF C[C@]1(CO)[C@@H](O)CC[C@]2(C)[C@@H]1C[C@H](O)[C@]1(O)C[C@](C)([C@@H](O)CO)CC[C@H]12 28648784 WDRRSJQZCVZNOS-FADSOHAYSA-N 372.502 0.418 0 1 FCAF CC(=O)N[C@@H](CCCCNCc1cccc(OCC(=O)O)c1)C(N)=O 35075401 NETOXVSFTPVMAD-HNNXBMFYSA-N 351.403 0.400 0 1 FCAF CCCCC[C@H](O)[C@H]1C(=O)N[C@](C(=O)O)([C@@H](O)[C@@H]2C=CCCC2)[C@@]1(C)O 35259368 HZMVPYGKRJDSSJ-OCANJJRCSA-N 369.458 0.965 0 1 FCAF C[C@H](Cn1ncnn1)n1cnc2cc3c(cc2c1=O)O[C@@H]1CCCN1C3=O 72127945 ZJAMLVNAZMYLCC-MEBBXXQBSA-N 367.369 0.599 0 1 FCAF COc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](CC(=O)O)O[C@H]2CO)cc1 95906693 CKPAPQIIXSLJFJ-UBHSHLNASA-N 357.384 0.133 0 1 FCAF Cn1c([C@H]2COC[C@@H]2O)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O 149508068 JSWPMVDXMZQKBQ-RYUDHWBXSA-N 363.345 0.030 0 1 FCAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(O)nc(N)nc3[nH]2)cc1 586940701 COVPLUPGZFZIJW-VOTSOKGWSA-N 360.399 1.039 0 1 FCAF Oc1nc(O)c(I)c(-c2nc3ncc[nH]c-3n2)n1 587181789 CXWKFPOBKKTENA-UHFFFAOYSA-N 356.083 0.777 0 1 FCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3CCCCC3)[C@H](O)[C@@H]2O1 2356292815 AJINBYNQJFUZDA-ONMISFSYSA-N 356.463 0.347 0 1 FCAF CN(Cc1ccccc1)[C@@H]1[C@H](CNC(=O)c2ccco2)O[C@@H](CO)[C@H]1O 2356300724 NGPICWHKVMPWNI-WNRNVDISSA-N 360.410 0.631 0 1 FCAF Nc1nc2c(ncn2[C@H]2CC[C@@H](CO)O2)c(=O)n1C(=O)c1ccccc1 8682291 YOXFWAONAZHRBJ-NWDGAFQWSA-N 355.354 0.534 0 1 FCAF CCCCCc1cn([C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)nn1 49113187 WKGSEEFZAFEDTO-RRFJBIMHSA-N 363.418 0.690 0 1 FCAF Nc1ncnc2c1ncn2[C@H]1O[C@H](CSc2ccccc2)[C@@H](O)[C@H]1O 49785386 QVFVRQNGWNWFTF-VSBTWAGUSA-N 359.411 0.820 0 1 FCAF CO[C@@]12CC[C@H](NCC(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5 66099131 YHKUQEWICWSOTO-BSCZKGNESA-N 374.437 0.873 0 1 FCAF CC(C)(CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)N(O)C=O 71281626 JKTGELXOMXEKJI-UHFFFAOYSA-N 359.423 0.904 0 1 FCAF CN(C)C(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 95676283 XITZEOXYAYTYOD-VHDGCEQUSA-N 356.444 0.352 0 1 FCAF O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccncc1 95905164 IROYBOQXOSSVQK-BRWVUGGUSA-N 359.426 0.689 0 1 FCAF O=C(N[C@H](Cc1nc2c(O)ncnc2[nH]1)C(=O)O)OCc1ccccc1 587201720 BMXHNPVIQPXYGE-SNVBAGLBSA-N 357.326 0.981 0 1 FCAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587202627 FGRAFMPRVFVQTD-JTQLQIEISA-N 367.431 0.289 0 1 FCAF Nc1cc2c(=O)c(C(=O)O)cn(-c3nccs3)c2nc1N1CC[C@H](N)C1 26175292 KEIOBDUZYHILNK-QMMMGPOBSA-N 372.410 0.660 0 1 FCAF Nc1nc(OC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O 95559207 FTCDPMUTFVBYCT-RSVSFAPFSA-N 353.354 0.319 0 1 FCAF C[C@@H]1CN(C)C(=O)Cc2cc(N)ccc2O[C@@H]1CN(C)S(C)(=O)=O 95660973 MUGXWVJQQJYAGS-IAQYHMDHSA-N 355.460 0.558 0 1 FCAF CCCN1C(=N)NC(=N)NC12CCN(C(=O)NCCC(=O)OCC)CC2 1857744984 HZCVTCDSPXYWOW-UHFFFAOYSA-N 367.454 0.216 0 1 FCAF CN1C[C@@H](NC(=O)c2cnccn2)CCC[C@H](C(=O)NC2CC2)CC1=O 2356762016 RRDMUYXSOIWLNR-JSGCOSHPSA-N 359.430 0.502 0 1 FCAF CN1C[C@H](NC(=O)Cc2ccccc2)C(=O)N1C(=O)c1cccc(O)c1 26296668 HPJRYMNPIKEXBP-INIZCTEOSA-N 353.378 0.949 0 1 FCAF CN(CCC(=O)O)C(=O)[C@H]1CCCN(C(=O)CCC2CCNCC2)C1 26468401 WSGZUVRAVUYFHJ-HNNXBMFYSA-N 353.463 0.938 0 1 FCAF CC1CCC(OCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)CC1 66100683 PFDXNLUZAWZWAC-WGIWXZLNSA-N 359.507 0.901 0 1 FCAF COC(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(OC)cc2)[C@@H](CO)O1 95675500 PJOLWCYMJOXMFX-AEGPPILISA-N 373.427 0.445 0 1 FCAF CO[C@]12CC[C@H](NCC(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@H]2C5 100578858 YHKUQEWICWSOTO-ADLGLPABSA-N 374.437 0.873 0 1 FCAF COc1ccc(Cn2c(=O)c3c(=O)c4[nH]cc[nH]c4c(=O)c3c2=O)cc1 137078334 CLXZBIUNIKOEIJ-UHFFFAOYSA-N 351.318 0.386 0 1 FCAF CCCCN1C(=O)[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C1=O 2356290170 KZDWDQVTUASWTO-IAGOWNOFSA-N 357.454 0.845 0 1 FCAF Cc1cccnc1CNC[C@@H]1O[C@@H]2C[C@H](CC(=O)NC(C)C)O[C@@H]2[C@H]1O 2356290211 LZDIFKYGNNQXOF-GNQXEYABSA-N 363.458 0.680 0 1 FCAF CO[C@@H]1N[C@H]([C@H](O)CCCCCCCC[C@H](O)CCCO)[C@H](O)[C@@H]1O 2356428667 TWDNTWGVPATUAQ-IZPLOLCNSA-N 363.495 0.268 0 1 FCAF Cc1cccc(OCC2(CNC(=O)C3CCOCC3)C[C@H](O)[C@@H](O)C2)n1 2356546847 SOJMKHKHWOGQDG-HOTGVXAUSA-N 364.442 0.814 0 1 FCAF CC[C@H](NC(=O)C1=C[C@H](Oc2ccc(C)c(C)c2)[C@@H](O)[C@H](O)C1)C(N)=O 2356836105 KXGCGMQQWOQRHF-YVSFHVDLSA-N 362.426 0.483 0 1 FCAF COC(=O)[C@@H]1CSCc2c(O)cc(O)c(C)c2C(=O)OCCC(=O)N1 13559779 OFQPTFBFYRYYHK-JTQLQIEISA-N 369.395 0.858 0 1 FCAF Cc1cn([C@@H]2C[C@@H](O)[C@@H](CNC(=O)Oc3ccccc3)O2)c(=O)[nH]c1=O 26000301 NDWHKZVNSPIXCQ-MCIONIFRSA-N 361.354 0.282 0 1 FCAF CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccncc2)O1 95887203 MKIQWJGRPCGZSV-MLHJIOFPSA-N 363.458 0.717 0 1 FCAF COCCNC(=O)C[C@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 95903451 VDLCDRUTPXRABM-OWCLPIDISA-N 369.462 0.456 0 1 FCAF Cc1nn(Cc2n[nH]c(=O)n2Cc2ccccc2)c(=O)n1Cc1ccco1 103217379 IOYWSZCBNBYBHK-UHFFFAOYSA-N 366.381 0.976 0 1 FCAF Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@](C)(O)[C@@H](O)C[C@@H]2C(=O)O)cc1 299861456 IGAUVYRDZRKQFK-ZWUHOBOKSA-N 371.411 0.023 0 1 FCAF NS(=O)(=O)c1ccc(C(=O)N2CCNC[C@@H]2Cc2ccccc2)cc1 1857644251 GRIQMCZUTORETQ-INIZCTEOSA-N 359.451 0.991 0 1 FCAF COc1ccc2c(c1O)[C@]1(O)C(=CO[C@@H]3C=C(O)C(=O)O3)C(=O)O[C@@H]1C2 2356587746 WCIPKZZGRDKVMY-PEBVRCNWSA-N 362.290 0.295 0 1 FCAF COCCCn1cc(CN2C[C@H](N3CCCCC3)CS2(=O)=O)nn1 96020785 LQULWDSUNPGYSY-HNNXBMFYSA-N 357.480 0.315 0 3 FCAF C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2[C@@H](O)CN3CC[C@@H](OC1=O)[C@@H]23 1714844 YEXVXKIMPBHRQR-AJJBVVKQSA-N 353.415 0.244 0 1 FCAF C[C@H]1O[C@@H](n2cc(I)c(N)nc2=O)[C@H](F)[C@H]1O 26384548 GMBXABYLHJQTRF-YQHTUYAKSA-N 355.107 0.046 0 1 FCAF COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 95893865 QRIOIJZLWQLTSC-JENIJYKNSA-N 374.437 0.762 0 1 FCAF CNS(=O)(=O)N1CCC(c2nc3ccc(C(=O)N(C)C)cc3[nH]2)CC1 586955371 WOLSNAFTBITXJJ-UHFFFAOYSA-N 365.459 0.908 0 1 FCAF COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@H](n3cccn3)[C@@H]2O)cc1 2356294491 CCEYELZFSJYGEE-QCODTGAPSA-N 360.370 0.739 0 1 FCAF COC(=O)[C@@H](COC(C)=O)NC(=O)/C=C/c1ccc(O)c(OC(C)=O)c1 1655082 KQJYAPDDJMABGO-VUDGCMKMSA-N 365.338 0.552 0 1 FCAF O=CNCCCC[C@@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)O 14768985 AORLEWGZMFBGQF-OLZOCXBDSA-N 363.370 0.023 0 1 FCAF biogenic Cn1c(=O)c2c(nc(N3CCC[C@H](N)C3)n2Cc2ccccc2)n(C)c1=O 28825079 BLGQZJNVPWQDPL-AWEZNQCLSA-N 368.441 0.410 0 1 FCAF CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O 39815768 TVYWVSJGSHQWMT-AJNGGQMLSA-N 372.510 0.589 0 1 FCAF biogenic COCCNC(=O)C[C@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 95678224 LJTZBZLXVQJQJX-PMPSAXMXSA-N 371.478 0.680 0 1 FCAF O=C(C[C@@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NC1Cc2ccccc2C1 95887228 VINMFOKKSKWMTO-HCXYKTFWSA-N 360.454 0.557 0 1 FCAF CCC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccc(OC)cc2)O[C@H]1CO 95908173 XXVQYUMJVNBNLA-ULQDDVLXSA-N 362.426 0.912 0 1 FCAF CNc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 299828774 WOZLSMDKVSRLQD-UHFFFAOYSA-N 372.473 0.586 0 1 FCAF Cc1ccc2nc(C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c2c1C 587222858 USGPVVHZFPLJDW-CMPLNLGQSA-N 362.386 0.484 0 1 FCAF O=C1NC(=O)C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)N1 587594638 LWSLEQHBWGRTTP-NSHDSACASA-N 354.274 0.459 0 1 FCAF COC(=O)[C@]1(OC)c2c(c(=O)c3ccccc3n2C)[C@]1(OC)C(=O)OC 6922993 VRTPGCAOUWXXHQ-ZWKOTPCHSA-N 361.350 0.582 0 1 FCAF biogenic,in-vitro COC(=O)CO[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccco4)n3)CO[C@@H]12 25430586 NEXQMQFJFIBMOD-ZCDTZLGTSA-N 361.354 0.873 0 1 FCAF biogenic O=S(=O)(NCc1ccccc1)NS(=O)(=O)NCc1ccccc1 28017137 AAHMDTYGRJJMTK-UHFFFAOYSA-N 355.441 0.645 0 1 FCAF C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@]2(C)[C@@]2(O)CC[C@](C)(O)[C@@H]42)[C@@]13C 100898301 SHKTYUCWKCFSRV-HAKABDFJSA-N 368.470 0.391 0 1 FCAF in-vitro Cc1cn([C@H]2C[C@H](O)[C@@H](COC(=O)/C=C/[Si](C)(C)C)O2)c(=O)[nH]c1=O 195221443 CJEXREKVIINRDI-NEFWEQRUSA-N 368.462 0.470 0 1 FCAF COC(=O)[C@@H]1[C@H](O)[C@]23C=CCN4C[C@](O)([C@@H]2C)[C@@]2(c5ccccc5N[C@@H]12)[C@@H]43 238777130 SSDQGZDVMVZYAC-SHIZMVSPSA-N 368.433 0.503 0 1 FCAF CC(=O)OCON[N+](=O)N(C)CCOC(=O)c1ccccc1OC(C)=O 377829711 VIHBOKOHUQPILT-UHFFFAOYSA-N 370.338 0.351 0 1 FCAF Cc1c(C)c2n(c1Br)[C@@H]1C[C@]3(O)[C@@H](NC(=O)N3C)[C@@H]1NC2=O 653735997 IUBWCZYQMWWJJD-LMDOXVSESA-N 369.219 0.636 0 1 FCAF CCN1CCN(c2ncnc3c2ncn3CCCN2CCNCC2)CC1 1857605430 NBDNGUTUZJFFPC-UHFFFAOYSA-N 358.494 0.264 0 1 FCAF COc1cc(C=CC(=O)N2CCN(CC(N)=O)CC2)cc(OC)c1OC 2356583558 XYTAECWKEOUFOT-UHFFFAOYSA-N 363.414 0.355 0 1 FCAF C[C@H](CC(=O)O)NC(=O)CN1CCc2ccc(N3CCNCC3)cc2C1=O 838655 JCPOBZPHVJZIPS-CYBMUJFWSA-N 374.441 0.074 0 1 FCAF C#CCNC(=O)C[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@@H](O)[C@H]1O 12603838 JUUOPYZONYVMIM-HDEZJCGLSA-N 352.818 0.058 0 1 FCAF biogenic CC1(C)N=C(N)N=C(N)N1c1cccc(OCC(=O)N2CCOCC2)c1 16954542 HVPDQNQHEDMUIS-UHFFFAOYSA-N 360.418 0.110 0 1 FCAF CCCC(CCC)Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 36123946 LWXHQIDTUVWZQE-VYHVBIQSSA-N 365.434 0.819 0 1 FCAF CN(C)Cc1cn([C@@H]2CO[C@@H]3[C@@H](NC(=O)C4CCCCC4)CO[C@@H]32)nn1 36364437 QBFDDMSJZCUGQO-YLFCFFPRSA-N 363.462 0.744 0 1 FCAF biogenic COCCNC(=O)C[C@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 95903455 VDLCDRUTPXRABM-BZUAXINKSA-N 369.462 0.456 0 1 FCAF CN(C)CC(=O)N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO 95903640 AWWMRDPCWOFXFI-OFQRWUPVSA-N 351.451 0.132 0 1 FCAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@@H](NCC4CCCCC4)CO[C@H]32)nn1 25425335 DLCYSNHUGZVSFX-JJXSEGSLSA-N 350.419 0.942 0 1 FCAF biogenic C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1C(=O)NC[C@H]1C(=O)O 26752023 VQRWTUVJWQDHMN-DRZSPHRISA-N 363.370 0.056 0 1 FCAF COc1nc(I)nc2c1ncn2COCCO 28635937 DJEBOLCBNYGRJE-UHFFFAOYSA-N 350.116 0.406 0 1 FCAF CN1CCN(CCOc2cccc3oc(N4CCOCC4)nc(=O)c23)CC1 64453781 GEXSQXRBMGPDQW-UHFFFAOYSA-N 374.441 0.651 0 1 FCAF N[C@@H](CCC[P@](=O)(O)[C@@H](O)c1ccc(OCC(=O)O)cc1)C(=O)O 1772609538 RNMXJELGVYONGD-SMDDNHRTSA-N 361.287 0.603 0 1 FCAF O=C(NC1CCCCC1)[C@@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 2356299388 BRVWAFDZANYSSS-BMGDILEWSA-N 361.490 0.972 0 1 FCAF C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@@H]1O 40896376 HAGWNJHDCJKTKK-VGOVLVCLSA-N 357.370 0.572 0 1 FCAF COCCNC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccco1 82142983 FDOVKKQRQABMAQ-GFCCVEGCSA-N 373.413 0.815 0 1 FCAF COC(=O)Cn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@H](C)CN2 82211245 DLJWOGHTKWGTNQ-SNVBAGLBSA-N 360.370 0.487 0 1 FCAF Nc1nc(Cl)c(-c2ccccc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 84616786 KIBRHVXSZJOSEP-WFFHOREQSA-N 350.806 0.894 0 1 FCAF OC[C@H]1O[C@H](Oc2ccc(N3CCc4ccccc43)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 84758369 IOBXHNSCPVURKM-SLHNCBLASA-N 373.405 0.560 0 1 FCAF Cc1c(F)ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 587223071 VJALCEGBTHHVCA-MWLCHTKSSA-N 366.349 0.835 0 1 FCAF O=C(NCC1(COc2cnccn2)C[C@H](O)[C@@H](O)C1)Nc1cccnc1 2356312230 KIAVVVWVZYQQQM-KBPBESRZSA-N 359.386 0.574 0 1 FCAF C[C@@H]1S[C@@H](O[P@@](=O)(O)OCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O 26152819 LMVMTILZHMGOKP-XZDSOIIUSA-N 350.329 0.864 0 1 FCAF O=C(C[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccncc1 95904127 UMZFBZHPBIGFIA-YESZJQIVSA-N 361.442 0.913 0 1 FCAF CN1C(=O)C(C2=NN[C@H](c3coc4ccccc4c3=O)C2)C(=O)N(C)C1=O 103202597 ZUFUUZCVRKIEKE-NSHDSACASA-N 368.349 0.850 0 1 FCAF Cn1c([C@@H]2COC[C@@H]2O)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O 149507868 JSWPMVDXMZQKBQ-NEPJUHHUSA-N 363.345 0.030 0 1 FCAF Nc1nc(O)c2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2n1 587135931 SFAWWTZLZLNSGY-UHFFFAOYSA-N 374.304 0.537 0 1 FCAF COc1ccc([C@@H](c2c(O)n[nH]c2C)C2C(=O)NC(=O)NC2=O)cc1OC 1857749598 VJHTYWZFXRSFDA-LBPRGKRZSA-N 374.353 0.555 0 1 FCAF COc1cccc2c1-c1c(O)cc3c(c1C2=O)[C@H](O)[C@H](O)[C@@](C)(O)[C@H]3O 2356325724 ZHKQTTFILPJNLU-VJANTYMQSA-N 358.346 0.805 0 1 FCAF CC(=O)O[C@@H]1[C@H](C)O[C@H](O)[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@@H]1O 2356521168 MDNCGEXTUODPTG-SSFHUKSJSA-N 352.339 0.347 0 1 FCAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H](N)[C@H](N)C3)c(F)c21 27562713 FGEUXICMHMKNOP-GHMZBOCLSA-N 352.341 0.472 0 1 FCAF COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccn3)[nH]c2=O)cc1OC 28009736 KCKXIZQYZJSDRI-FBXUGWQNSA-N 351.362 0.133 0 1 FCAF Cc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(C)c1 49785308 APQIAUXRPNCQAC-SCFUHWHPSA-N 371.397 0.798 0 1 FCAF CCNC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 95906411 BFCNITPYXPLZBL-BMFZPTHFSA-N 370.471 0.708 0 1 FCAF C[C@H]1CCN(c2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)C1 205024565 NYFKFGRERAFKPU-TXEUWIOXSA-N 368.401 0.725 0 1 FCAF CCOC(=O)N1CC(=O)N(Cc2cccc(OC)c2OC)C[C@H](O)C1 299866358 ORFLBYILPXTRRV-ZDUSSCGKSA-N 352.387 0.865 0 1 FCAF O=C(N[C@@H]1CCN2C(=O)[C@@H]3C[C@H](OCC4CC4)CN3C(=O)[C@@H]12)C1CCC1 2356307826 WNWOGXQWSYCRNM-XUWVNRHRSA-N 361.442 0.282 0 1 FCAF CC[C@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](OC(C)=O)[C@@H]12)[C@H](C)O 2356329986 NRKGCBYQDMTQRF-OJHJRWMMSA-N 355.431 0.634 0 1 FCAF COC[C@@H]1O[C@@H]2c3c(cc(OC)c(OC)c3OC)C(=O)O[C@@H]2[C@@H](O)[C@@H]1O 2356712276 WPKUNBMLWQDSMQ-PCSJOYPTSA-N 370.354 0.060 0 1 FCAF O=C1NCCS(=O)(=O)N[C@@H](CC2=CC=CCC2)C(=O)N2CCC[C@H]12 5600291 DHKPLPGNTJLOOO-UONOGXRCSA-N 353.444 0.062 0 1 FCAF O=C1CC[C@H](N2C(=O)c3cccc(/C=C/N4CCCC4=O)c3C2=O)C(=O)N1 28862625 WXEQNUWPJIHUSG-FROQITRMSA-N 367.361 0.681 0 1 FCAF C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N1CCNCC1 82083275 YIGAVDBKPXCPMT-LLVKDONJSA-N 372.381 0.620 0 1 FCAF CCC(=O)N[C@@H]1CC[C@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO 95676360 FOYMHNRGVNUWHD-BZUAXINKSA-N 355.479 0.413 0 1 FCAF CC(C)NC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CNC(=O)CN(C)C 95895042 NVPQDCKCIXYJGR-BQFCYCMXSA-N 362.474 0.611 0 1 FCAF CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)NC2CCCCC2)[C@H]3C1=O 105612303 QSEMSDJEVDJLHY-YBKUAAOGSA-N 362.426 0.780 0 1 FCAF OC[C@H]1O[C@@H](n2cnc3c(NC[C@H]4C[C@@H]5C=C[C@@H]4C5)ncnc32)[C@H](O)[C@@H]1O 169334216 HOIMDJVHLZFLPK-RTSZNMRASA-N 373.413 0.062 0 1 FCAF COCOn1c(=O)/c(=C/c2ccc(F)cc2)[nH]/c(=C/c2ccccc2)c1=O 169727838 SKBDPGLEDMLYPH-HMQSQOOHSA-N 368.364 0.366 0 1 FCAF COC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@@H](O)C(=O)O)nc2c1 586884836 AWICAMGGCWYINA-DTWKUNHWSA-N 359.132 0.591 0 1 FCAF COC(=O)c1ccnc2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc12 586939001 MJPHYCRLGNGYHK-QMMMGPOBSA-N 364.387 0.518 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)cnc2[nH]1 587222813 ZZNXCQAZZIGFCA-HTQZYQBOSA-N 369.765 0.435 0 1 FCAF O=C1NOC[C@H]1NC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772611812 FJUXWOXQAQGZDM-NQBHXWOUSA-N 355.402 0.899 0 1 FCAF CN(Cc1ccccc1)C(=O)c1csc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1 61904632 SKOPFGMWGBZLNH-KBUPBQIOSA-N 364.423 0.569 0 3 FCAF NC(=O)c1cc([C@H](O)CN2CCN(C(=O)c3ccco3)CC2)ccc1O 27086382 JMWHAMWFHARECC-OAHLLOKOSA-N 359.382 0.576 0 1 FCAF CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@H](N)C(=O)c1ccccc1 36382792 SVFXGCVMKPPMGU-ROUUACIJSA-N 369.421 0.766 0 1 FCAF O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N(CCO)CCO)c1 68588837 BCJDPIRWTWAXPP-UHFFFAOYSA-N 364.423 0.914 0 1 FCAF biogenic CN(C)C(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1C(=O)C1CCC1 95884496 BHHDRXNUGFHOLE-CLROSIBMSA-N 359.426 0.227 0 1 FCAF O=C(C[C@H]1C=C[C@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccncc1 95905165 IROYBOQXOSSVQK-IKGGRYGDSA-N 359.426 0.689 0 1 FCAF CC(C)NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO 95908198 DMROSRCUXVWXJU-OWCLPIDISA-N 371.478 0.535 0 1 FCAF CC(=O)c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(CC=C(C)C)c1 257430012 GVWZZKUSNVNWGC-OYSTVDSJSA-N 366.410 0.577 0 1 FCAF endogenous,in-man COC(=O)CO[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccco4)n3)CO[C@H]12 5433647 NEXQMQFJFIBMOD-KSZJFAHPSA-N 361.354 0.873 0 1 FCAF biogenic C[C@@H]([C@H](O)c1ccccc1)N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C 28872375 AHQHLUGQZGJZOR-WFASDCNBSA-N 369.425 0.766 0 1 FCAF COc1cc(Nc2nc(NCCN)n3cnnc3c2C(N)=O)cc(OC)c1 34096356 NBGQQTFVANZDGQ-UHFFFAOYSA-N 372.389 0.355 0 1 FCAF COc1c(N2CC[C@@H](CN)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 58575410 WWJJMIXOFUVRBI-VIFPVBQESA-N 363.393 0.145 0 1 FCAF O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)NC[C@@H]1CCCO1 4139783 PJEVFPIJDMZCKQ-AWEZNQCLSA-N 368.397 0.332 0 3 FCAF CC(C)(CO)NCC(=O)N1C[C@@H](F)C[C@H]1C(=O)c1noc(C(C)(C)C)n1 28823296 YRUZAGCDGLFCFF-QWRGUYRKSA-N 370.425 0.849 0 1 FCAF CN1CCN(C(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)CC1 58137015 CQMUGZUJJRYJKG-UHFFFAOYSA-N 360.439 0.762 0 1 FCAF COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)OC)O[C@H](CO)[C@H]1O2 95900061 UQOQCOXZGHGBJV-GQMGFTQMSA-N 365.382 0.829 0 1 FCAF O=C(NC1CCCC1)N[C@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO 95903468 XTCBEEUCKKSLMA-OWCLPIDISA-N 367.446 0.162 0 1 FCAF CCNC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 95906547 SRPGMYIGJWTTHA-BPUTZDHNSA-N 368.455 0.484 0 1 FCAF CCNC(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1 95907615 XGMRPRNXRMHJTE-SNPRPXQTSA-N 374.434 0.539 0 1 FCAF COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@H]2[C@H]1C)N1CC[C@H]3[C@]41CO 101998582 KRVBAKCHGBGKIW-NEQRLEEXSA-N 361.394 0.892 0 1 FCAF C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)CCN)CC(=O)O1 169371611 IRCDUPSHISIJOZ-HKWYPLJHSA-N 373.515 0.872 0 1 FCAF NC(=O)c1cccc2[nH]c(C(=O)N3CCC(NC4CCNCC4)CC3)nc12 1857744026 JDVXDARJYHZGQG-UHFFFAOYSA-N 370.457 0.608 0 1 FCAF COc1cccc(C(=O)NCC2(COc3cnccn3)C[C@@H](O)[C@H](O)C2)c1 2356615828 MYRNPUICOFMKKE-HZPDHXFCSA-N 373.409 0.796 0 1 FCAF C[C@H](/C=C/[C@H]1[C@H](C)C[C@H](O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 60289745 ZORDFDALTAWLGH-BLQZLLBESA-N 374.474 0.181 0 1 FCAF CN(C)CCNC(=O)c1ccc(/C=C2\C(=O)Nc3ncccc32)[nH]c1=O 73159724 WJIMGWIYAWRLTA-UVTDQMKNSA-N 353.382 0.554 0 1 FCAF CS(=O)(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)O)O[C@@H](CO)[C@@H]1O2 95793976 DHTDTXXESPFODJ-YARBFKLUSA-N 357.384 0.527 0 1 FCAF CCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)COC)S(C)(=O)=O 95895886 JMXAVHBHXJKRLD-HLLBOEOZSA-N 370.471 0.270 0 1 FCAF CCN(C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)COC)S(C)(=O)=O 95895888 JMXAVHBHXJKRLD-YQQAZPJKSA-N 370.471 0.270 0 1 FCAF N[C@@H](CC[P@@](=O)(OCC(=O)NCC(=O)O)Oc1ccccc1)C(=O)O 103233356 GFVMWAKAJJRVBI-JPQMIFPKSA-N 374.286 0.278 0 1 FCAF Cc1ccc(C)c2[nH]c(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)nc12 587220093 MOGXPPVOLAXMEK-WDEREUQCSA-N 362.386 0.484 0 1 FCAF CCOC(=O)CCOCCCOCCc1nc2c(O)nc(O)nc2[nH]1 587568848 NYSYREFJILBQMV-UHFFFAOYSA-N 354.363 0.683 0 1 FCAF C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N[C@H]1CCN(C2CC2)C1 618014973 QUTQYPBPXJAWQG-OVAAFMSASA-N 357.458 0.547 0 1 FCAF Nc1nc(NCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c2ncnc-2[nH]1 653878747 DKDKLAVGURDVDK-JTQLQIEISA-N 355.358 0.111 0 1 FCAF CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@@]12C 2356558058 KRWCNBMWXYBJMM-FXBSTXGRSA-N 355.431 0.634 0 1 FCAF COCCNC(=O)C[C@@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 95678211 LJTZBZLXVQJQJX-XHSDSOJGSA-N 371.478 0.680 0 1 FCAF CCC/C=C1/OC(=O)c2c(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cccc21 257475213 LNWJAAMNXBMBCE-JDUWVNHBSA-N 366.366 0.177 0 1 FCAF endogenous,in-man C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H](O)[C@@H](O)CO)N1 587832655 KKCNIAANMVBZRX-PLVISXMQSA-N 364.211 0.024 0 1 FCAF O=C(Cn1cccc(O)c1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1857588397 GBAYREVXHGRLPG-AWEZNQCLSA-N 355.350 0.847 0 1 FCAF CN1CCC(OC2CN(S(=O)(=O)c3ccc4c(c3)OCO4)C2)CC1 1857648235 FRSFCDJFAFDIGA-UHFFFAOYSA-N 354.428 0.899 0 1 FCAF C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)OCc2cnnn2CCCC1=O 61946337 PFQPPSPXSKCUPO-YCPHGPKFSA-N 353.467 0.364 0 3 FCAF CC(=O)OCC1=C(C(=O)O)N2C(=O)C(=C=CC(C)(C)C)[C@H]2S(=O)(=O)C1 3918658 HFICAXNAWUOCGS-XJQCMFKWSA-N 369.395 0.613 0 1 FCAF CO[C@@]12C[C@@H](CNC(=O)c3cc(Br)c[nH]3)O[C@@H]1NC(=O)N2 6483250 WRJYHSZMHSXLMX-JWYUURKGSA-N 359.180 0.278 0 1 FCAF CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)NO 40835387 RMPMGGGCHRCWIU-KGLIPLIRSA-N 350.419 0.563 0 1 FCAF O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1CN1CCN(CCO)CC1 64251982 GCNYORMJDCRZFH-LJQANCHMSA-N 358.442 0.033 0 1 FCAF CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1C(=O)C1CCC1 95879138 PDASBHMLWATWOP-ZZCKCESHSA-N 373.453 0.665 0 1 FCAF CCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]21 95879651 DWAVFAPHRXJSEG-DIECFANBSA-N 370.409 0.462 0 1 FCAF CN(C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)c1cnc2[nH]ccc2n1 299827384 GJAHMBFLWRYELA-JTQLQIEISA-N 352.420 0.528 0 1 FCAF Oc1nc(O)c(I)c(-c2nc3cncnc3[nH]2)n1 587181795 DBKUPELBWUXZIK-UHFFFAOYSA-N 356.083 0.826 0 1 FCAF COC(=O)[C@H](Cc1ccccc1)NC(=O)CNc1nc[nH]c2ncnc1-2 653864129 JAHZPWIBSLYWNU-LBPRGKRZSA-N 354.370 0.617 0 1 FCAF CC=C1CN2[C@H]3C[C@@]45c6ccccc6N[C@@H]4[C@@]2(O)C[C@H]1[C@@]3(C(=O)OC)[C@H]5O 2356647712 UKEZNSARWDASSV-ZHFGFOILSA-N 368.433 0.995 0 1 FCAF NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 1863777 DNJKYTRZNPUEST-UHFFFAOYSA-N 370.412 0.625 0 1 FCAF CC(=O)NC[C@@H]1CN(c2ccc(C(C)=O)c(S(C)(=O)=O)c2)C(=O)O1 11524870 JQJGZNZSOWSZOZ-GFCCVEGCSA-N 354.384 0.754 0 1 FCAF COc1ccc([C@@H]2C3(C=CC(=O)C=C3)C[C@]3(O)N(C)C(N)=N[C@@]23O)cc1 14713599 OWRWJUULTJMLFO-ATZDWAIDSA-N 355.394 0.501 0 1 FCAF biogenic CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NS(=O)(=O)c3cccs3)CO[C@@H]12 25223683 YWAGXODSCKNDOZ-SPFNVWMYSA-N 362.429 0.307 0 1 FCAF biogenic O=C1[C@@H]2[C@@H](C(=O)N1OCCN1CCN(c3ccccn3)CC1)[C@H]1C=C[C@H]2C1 100058997 QOFWCJWEWVROMH-LAQRGFTBSA-N 368.437 0.942 0 1 FCAF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOC[C@H]1C[C@H]2CC[C@H]1C2 102824574 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4475300 OOEMZCZWZXHBKW-WLLUSJSYSA-N 371.397 0.358 0 1 FCAF C[C@]1(CSC2=NCCS2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O 26378399 MXCGPVVSKSQZRV-FYBVGQRMSA-N 350.443 0.021 0 1 FCAF CC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O 38930594 RTIRBWJPYJYTLO-IHRRRGAJSA-N 356.467 0.049 0 1 FCAF Cc1oc2cc(OS(=O)(=O)O)c(OS(=O)(=O)O)cc2c1C(=O)O 43060215 NVQJZMQZCFUMFO-UHFFFAOYSA-N 368.297 0.803 0 1 FCAF COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CNC(=O)c1ccccn1 95895825 GTTXVUOBMUATPQ-SCTDSRPQSA-N 369.421 0.813 0 1 FCAF CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@@](O)(O3)[C@@](C)(O)C[C@@H]2O)OC1=O 257583343 VXLRPFBAXXIUFB-VQSPVPCYSA-N 354.355 0.060 0 1 FCAF biogenic N[C@@H](Cc1nc2ccc(F)cc2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587218730 IDMGQZNJPZSKMX-WCBMZHEXSA-N 352.322 0.006 0 1 FCAF NC(=O)c1ccc2c3c1O[C@@H]1C(=O)CC[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 168028394 QAICPHMNUHNDMC-NXXWWENFSA-N 368.433 0.919 0 1 FCAF in-vitro Cc1cccc(OC[C@@H]2C[C@H](NC(=O)C3CCOCC3)[C@H](O)[C@@H]2O)n1 2356290337 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O=C1C[C@H](C(=O)N2CCCCC2)n2c(=O)n(-c3ccccc3)c(=O)n2C1 3597176 IGGRILKUTIKDAR-OAHLLOKOSA-N 356.382 0.327 0 1 FCAF COC(=O)C1=C(C)N(NC(=O)c2ccccc2)[C@@](C)(O)[C@@]12CCOC2=O 5757527 VZSAHIHZJOKJCJ-ROUUACIJSA-N 360.366 0.736 0 1 FCAF COC(=O)N[C@@H](Cc1ccc(-c2c(OC)cnn(C)c2=O)cc1)C(=O)O 13704651 CWYRXMARIDXJHG-LBPRGKRZSA-N 361.354 0.808 0 1 FCAF CO[C@@H]1CN2Cc3cc4c(cc3[C@@H]3[C@H](OC(C)=O)[C@H](O)C=C1[C@@H]32)OCO4 85999966 UYHFAWKTYPQDCQ-RBPQIDMKSA-N 359.378 0.944 0 1 FCAF biogenic Nc1nc(NCCc2ccccc2)nc2c1ncn2[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1O 169366590 OZCCPYHYSIPRDM-CTHBEMJXSA-N 370.413 0.091 0 1 FCAF C[C@@H]1S[C@H](O[P@](=O)(O)OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 253633690 LMVMTILZHMGOKP-YKDBICPDSA-N 350.329 0.864 0 1 FCAF O=C(c1ccccn1)N1CC[C@@]2(COc3ncccc3S(=O)(=O)N2)C1 299850270 WGHMRQZOHCOHFW-INIZCTEOSA-N 360.395 0.432 0 1 FCAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NC3CCC3)[C@@H](O)[C@H]2O1 2356293530 IHMIJZVJBCLYQU-CNBXADPUSA-N 355.435 0.039 0 1 FCAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)Cc3ccccc3)[C@H]2SC1 95535391 HTAUWRNAMAFKLB-XHBSWPGZSA-N 361.423 0.315 0 1 FCAF COc1cccc(CNC(=O)C[C@@H]2C=C[C@H](NC(=O)C3CC3)[C@H](CO)O2)c1 95903604 VFXNSGNFMQFRLQ-BZSNNMDCSA-N 374.437 0.912 0 1 FCAF CN(C)CC(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO 95903646 AWWMRDPCWOFXFI-SQWLQELKSA-N 351.451 0.132 0 1 FCAF COc1cc([C@H]2CS[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O2)cc(OC)c1O 197974564 DEKBHIICOGMPTO-ZZIDHEKVSA-N 374.411 0.022 0 1 FCAF CN(C)S(=O)(=O)c1ccc2nc(CCOCCOCCN)[nH]c2c1 587245640 BTNUKYBJIQPLSI-UHFFFAOYSA-N 356.448 0.348 0 1 FCAF C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C 61946372 PFQPPSPXSKCUPO-SQWLQELKSA-N 353.467 0.364 0 3 FCAF COc1cc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCCN(C)C 40914066 SVMXCMXOKKBEET-UHFFFAOYSA-N 373.413 0.576 0 1 FCAF OC[C@H]1O[C@@H](c2nc(-c3ccc4ccccc4c3)no2)[C@H](O)[C@@H](O)[C@@H]1O 62178969 NDXBGWPIFXJVFP-IBEHDNSVSA-N 358.350 0.405 0 1 FCAF CCOC(=O)CN1CCN(c2ncc(C)c(N[C@@H](C)COC)n2)CC1 82203386 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103138885 MCWLKBKDDXXISS-VYFIVBPTSA-N 368.470 0.247 0 1 FCAF CCC[C@@H]1OC(=O)[C@H](OC(=O)C=CC=CC(=O)O)CCC=C[C@@H](O)[C@H]1O 2356872295 YRGCJBDRHWBHRN-UMPJEAMMSA-N 368.382 0.879 0 1 FCAF OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H](O)[C@@H]1O 3870786 XSMYYYQVWPZWIZ-WQURNTSKSA-N 369.809 0.446 0 1 FCAF CC[C@@H](C)[C@@H](C(=O)OC)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1 103188767 IPFLGPAKNSFGLL-MNOVXSKESA-N 360.436 0.949 0 1 FCAF CS(=O)(=O)N1CCN(Cn2cc3c(=O)oc4ccccc4c3n2)CC1 1857559906 ISIHCMLBINWONY-UHFFFAOYSA-N 362.411 0.677 0 1 FCAF CN(CCc1ccccn1)[C@@H]1[C@H](CNC2CCCCC2)O[C@@H](CO)[C@H]1O 2356861673 ULNYZSQQGAUODV-VNTMZGSJSA-N 363.502 0.967 0 1 FCAF CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@@H](CCC(=O)NCc1ccco1)N2C 2356863196 UPXIZCXMASRJTJ-KYJSFNMBSA-N 362.474 0.958 0 1 FCAF C[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CCCN2)CC1)C(=O)O 15970401 HBNDVLRWQFJVKS-GDBMZVCRSA-N 373.453 0.888 0 1 FCAF biogenic CC1(C)O[C@@H]2O[C@H]3[C@H](O[C@H](c4ccccc4)O[C@@H]3CNCCO)[C@@H]2O1 17289807 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CCOc1cc2[nH]c(=O)n(CCN3CCOCC3)c(=O)c2cc1OCC 34858163 NLUIYYGSJPHIDF-UHFFFAOYSA-N 363.414 0.819 0 1 FCAF OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccccc3)c2)[C@@H](O)[C@H](O)[C@@H]1O 36374622 JTFNQPOMLDMAEW-ALOQBCLSSA-N 374.389 0.741 0 1 FCAF C[C@@H]1C(=O)[C@]23[C@@H](O)[C@@H]1C[C@H](O)[C@H]2[C@@]1(CO)[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3O 504243539 LIVDSGBMAPJLQG-KZHLUCDESA-N 368.470 0.090 0 1 FCAF biogenic CC(=O)N(Cc1cn(Cc2ccccc2)nn1)[C@H]1CC(=O)[C@@H]2OC[C@H]1O2 1911579822 CTEXKKUIVXVZFW-CGTJXYLNSA-N 356.382 0.758 0 1 FCAF CC=C1CN2CC[C@]3(O)c4ccccc4N4[C@H](C(=O)OC)[C@H]1C[C@H]2[C@@]43O 2356552286 LDIJTOICDZARKZ-LKGZUJRASA-N 356.422 0.979 0 1 FCAF COC(=O)[C@H](Cc1ccccc1)N1C[C@@H](N2CCCC2)CS1(=O)=O 96021299 AAQYFQBUJMSNPR-CVEARBPZSA-N 352.456 0.881 0 3 FCAF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC(=O)N[C@@H]1CCS(=O)(=O)C1 16236129 WCUTYBBURAZSAM-MJRJWQSSSA-N 367.383 0.028 0 1 FCAF OC[C@H]1O[C@H](n2cnc3c(OCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 49051946 VCFDASOZXYDXLR-DRRHNWJESA-N 372.381 0.059 0 1 FCAF 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SAONJOAPEKBPNW-MRXNPFEDSA-N 366.757 0.414 0 1 FCAF O=C(C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccncc1 95904125 UMZFBZHPBIGFIA-IXDOHACOSA-N 361.442 0.913 0 1 FCAF Cc1cc2nc(C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c2cc1F 587219786 LPVGOEMQIHMRAL-VHSXEESVSA-N 366.349 0.314 0 1 FCAF CC(=O)N[C@H](CS[C@@H](CC(=O)O)[C@@H](O)CCCCCO)C(=O)O 2356680623 OLDWUSIYSZEWIY-WOPDTQHZSA-N 351.421 0.066 0 1 FCAF O=C(N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCC(O)CC1 4479665 VYDSLVLGPHNVMS-LBPRGKRZSA-N 361.398 0.729 0 3 FCAF CSCC[C@H](NC(=O)C1CCC(CNC(=O)[C@H](C)N)CC1)C(=O)O 8488563 AQQWHPZAHBODPW-WTIISPKJSA-N 359.492 0.579 0 1 FCAF biogenic COc1ccc(C(=O)Cn2ncc(N3CCO[C@H](CCN)C3)cc2=O)cc1 23153241 SGJMLVPKUKEMRH-QGZVFWFLSA-N 372.425 0.689 0 1 FCAF O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1cnccn1 95675489 DHOFHCIZNIPSHR-IJEWVQPXSA-N 362.430 0.421 0 1 FCAF C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 101335831 RTCACLNSEXRQIB-JNCHVBQXSA-N 366.410 0.322 0 1 FCAF COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNN)C(C)(C)C 299854401 YBTUDSMHJMWVSD-SOUVJXGZSA-N 366.462 0.309 0 1 FCAF Oc1nc(O)c(I)c(-c2nc3c(O)ncnc3[nH]2)n1 587181994 KFISVNHZJKFVFC-UHFFFAOYSA-N 372.082 0.531 0 1 FCAF Cc1c(Oc2cnc(C(=O)NCC(C)(C)O)cn2)ccc2c1B(O)OC2 1772647018 MTJYJGWJKFVASY-UHFFFAOYSA-N 357.175 0.296 0 1 FCAF Cc1[nH]nc(O)c1[C@H](c1ccc(N(C)C)cc1)C1C(=O)NC(=O)NC1=O 1857746062 DRWGFFGVVMNWJE-LBPRGKRZSA-N 357.370 0.604 0 1 FCAF CC=C(CO)C(=O)OCC1=CCN2CC[C@H](OC(=O)C=C(C)CO)[C@H]12 2356496339 UXGHWAJPUICCQU-RDJZCZTQSA-N 351.399 0.333 0 1 FCAF CSC(=N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 28525373 CKTQQHSTESGUST-STQMWFEESA-N 352.460 0.793 0 1 FCAF NC(=O)c1ccccc1OCC(=O)NCCNC[C@H](O)c1ccccc1 40639515 JKMWVUAIHIXNCF-INIZCTEOSA-N 357.410 0.604 0 1 FCAF O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3cc(F)cc(F)c3)c(=O)c12 137078942 PJWUXOXXTRCJDM-UHFFFAOYSA-N 357.272 0.656 0 1 FCAF COC(=O)[C@@H]1[C@H]2CC(=O)N3c4ccccc4[C@]4(O)CCN(C[C@@H]2[C@H](C)O)[C@@]134 2356854451 ROVYMJJZGIUTJU-WHBHLDCISA-N 372.421 0.443 0 1 FCAF OC[C@H]1O[C@@H](c2ncc(Cc3ccc(Cl)cc3)s2)[C@H](O)[C@@H](O)[C@@H]1O 58590634 HGABCKYGTVOGQY-UXXRCYHCSA-N 371.842 0.902 0 1 FCAF CN1CCOC[C@@H]1c1nc(C(=O)NCc2ccccc2)c(O)c(=O)n1C 89774372 FWLYUGRHEREYSM-CYBMUJFWSA-N 358.398 0.419 0 1 FCAF CCCC(CCC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@H](C(=O)O)C[C@H]1NC(=N)N 299870012 IIZTWIZWLKRAMW-ARILJUKYSA-N 356.467 0.641 0 1 FCAF in-vivo N[C@@H](Cc1nc2cccc(Cl)c2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587217876 DYDUOMWUDWBYFX-WPRPVWTQSA-N 368.777 0.520 0 1 FCAF C[C@]1([C@H](O)CO)CC[C@H]2[C@@](O)(C1)[C@@H](O)C[C@H]1[C@@](C)(CO)[C@@H](O)CC[C@]12C 2356635307 WDRRSJQZCVZNOS-AAXWYBPFSA-N 372.502 0.418 0 1 FCAF CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)C(=O)NCCCc1c[nH]c(=N)[nH]1 2356637222 LTUMHXPXPQDFAN-UPJWGTAASA-N 365.434 0.123 0 1 FCAF O=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCC(O)CC1 4479664 VYDSLVLGPHNVMS-GFCCVEGCSA-N 361.398 0.729 0 3 FCAF CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](C)(O)[C@H](C)O)[C@@H]12 14685608 KRUNVKVFXZKRDQ-PZMTTYODSA-N 353.415 0.554 0 1 FCAF biogenic CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CCO)CC3)cc21 28767467 CORXXUNZFJDFHF-UHFFFAOYSA-N 363.389 0.973 0 1 FCAF CNC(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(c1ncc(C)cn1)C2 96083022 ZOXBXXMGKWGNFF-RDTXWAMCSA-N 353.430 0.796 0 1 FCAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1OCCN1CCN(c2ncccn2)CC1 195121164 BKUHRNRFWGGTNN-WCVJEAGWSA-N 369.425 0.337 0 1 FCAF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cccc(C(N)=O)c3[nH]2)c1 586934931 AXEQPLNKFOILID-UHFFFAOYSA-N 373.394 0.092 0 1 FCAF CC(C)N1C[C@H](C)[C@]2(C1)c1[nH]cnc1C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12 963224737 TWDPYRZVQSTIFL-VFSPDHHESA-N 357.458 0.723 0 1 FCAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(CN4CCOCC4)cc3)C[C@H]12 3789117 LCEGFEMCVFMAMO-CSMYWGQOSA-N 372.421 0.926 0 1 FCAF CCOC(=O)c1ccc(Cn2c(=O)c3c(nc(S)n3C)n(C)c2=O)cc1 13745167 BZXRLKVOZUWFNH-UHFFFAOYSA-N 374.422 0.947 0 1 FCAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1OCCN1CCN(c2ccccn2)CC1 28471667 QOFWCJWEWVROMH-YJEJQGFLSA-N 368.437 0.942 0 1 FCAF NS(=O)(=O)c1ccc(CCNc2ccncc2S(N)(=O)=O)cc1 49803755 NSQHBCSUZOLMBS-UHFFFAOYSA-N 356.429 0.031 0 1 FCAF CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5[C@H]6O)[C@@](O)(C[C@@H]32)[C@H]14 100899154 AIQHURFKXYCRCF-GHOUFFPUSA-N 363.498 0.741 0 1 FCAF in-vitro CC1(C)OC[C@@H]2O[C@]3([C@H]4OC(C)(C)O[C@@H]4CO)OC(C)(C)O[C@@H]3[C@H]2O1 254136682 AEXMLOVBBGJYHK-PHQHMXHNSA-N 360.403 0.897 0 1 FCAF C[C@H]1CC(=O)CC(C)(C)[C@@H]1/C=C/[C@@H](C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257494111 NLPBBNGDXNHAJP-IIQZKJGQSA-N 372.458 0.389 0 1 FCAF endogenous,in-man Cc1cc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c(C)n1 587221837 QQVWAAVIYJGBNP-ZJUUUORDSA-N 363.374 0.399 0 1 FCAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N(C)C)n(C)c(=O)n(C)c1=O)O2 587389967 DWUARAPGZYWNRJ-ZDUSSCGKSA-N 358.398 0.747 0 1 FCAF C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N[C@@H]1CCN(C2CC2)C1 618014971 QUTQYPBPXJAWQG-HRJSJKBJSA-N 357.458 0.547 0 1 FCAF Cn1c(=O)c2c(nc3n2CCN([C@H]2CCc4ccccc42)C3)n(C)c1=O 1857577087 RPKMNDYYVDIVKP-AWEZNQCLSA-N 351.410 0.937 0 1 FCAF Cc1cnn([C@@H]2[C@H]3OC[C@@H](O3)[C@@H](NCc3ccc4c(c3)OCO4)[C@@H]2O)c1 2356295522 HXCQAWQEFYEQQY-ZBRFXRBCSA-N 359.382 0.736 0 1 FCAF COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](n3ccnc3)[C@@H]2O)cc1 2356297791 YIFAHSWRIUKVAE-LJIZCISZSA-N 360.370 0.739 0 1 FCAF COCCNC(=S)NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCOCC1 2356314342 CBWHGWZXBNXNQD-BZUAXINKSA-N 356.536 0.140 0 1 FCAF COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OCC(=O)N1 13559797 QLVSXUJRXXZNNB-JTQLQIEISA-N 369.395 0.771 0 1 FCAF C#CCO[C@@H]1C[C@@H]2C(=O)N3CCN(C(=O)c4cccs4)C[C@H]3C(=O)N2C1 25416621 GHSADVBFNAVZAR-MCIONIFRSA-N 373.434 0.034 0 1 FCAF biogenic CC[C@@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO 60038144 YIGMHPNVFMXYNW-XUWXXGDYSA-N 363.458 0.155 0 1 FCAF CC1(C)S[C@H]([C@H](NC(=O)[C@@H](O)c2ccccc2)C(=O)O)N[C@H]1C(=O)O 299851235 BWTFYDWYANZTFC-MRBYEJRBSA-N 368.411 0.184 0 1 FCAF NC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1-n1cccn1 1772651001 RMQXUTRSPNKGFB-OAHLLOKOSA-N 363.377 0.663 0 1 FCAF CCOc1cc2c(c(OC)c1OCC)C(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](O)C[C@H]21 1857602926 ALYAMWFSIYBVMS-KKGDDVQDSA-N 367.398 0.175 0 1 FCAF COC[C@@H]1CCCN1[C@@H]1[C@H](CNCc2ccc(F)cc2)O[C@@H](CO)[C@H]1O 2356846059 OJUZIWABSOUWNY-LTFXXXRZSA-N 368.449 0.515 0 1 FCAF CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](N)C[C@H]1C(=O)O 28714476 YAUVDGHWAIWWDC-DCAQKATOSA-N 361.464 0.646 0 1 FCAF Cc1c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C 100120782 YNNUVFDHJLOEGF-AJNGGQMLSA-N 351.362 0.927 0 1 FCAF CN1CCC(N[C@@H]2CO[C@H](CNC(=O)c3ccc(F)cc3)[C@@H]2O)CC1 2356287846 QRNLYVHXVXDLJN-BRWVUGGUSA-N 351.422 0.368 0 1 FCAF O=C1c2[nH]cc3c2C2=C4[C@@H]1N[C@H]1C[C@@]45C(=C[C@@H](O)[C@@H]([C@@H]5O)N2CC3)S1 2356824555 GWBRHAMWIIHNKW-JXNQCHLCSA-N 355.419 0.203 0 1 FCAF COc1cc([C@H](CCS(=O)(=O)O)S(=O)(=O)O)cc(OC)c1O 2356868529 XCVWNCSDLXQGRQ-JTQLQIEISA-N 356.374 0.616 0 1 FCAF CC(C)C[C@H](N)c1cn([C@@H](CCC(=O)O)C(=O)N2CCNCC2)nn1 13478087 HSMZIBZNUXZXPI-JSGCOSHPSA-N 352.439 0.162 0 3 FCAF CCCCCCNc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 34054579 XILFQYSRYCFXSW-VSBTWAGUSA-N 351.407 0.430 0 1 FCAF O=P(O)(O)Oc1cc(OP(=O)(O)O)cc(OP(=O)(O)O)c1 34788766 BQAZVYAIYNIITQ-UHFFFAOYSA-N 366.048 0.101 0 1 FCAF C[C@@H]1C[C@@H]1COc1nc(N)c2ncn([C@@H]3O[C@H](CF)[C@@H](O)[C@H]3O)c2n1 73223037 YCQVVJDIRKJRDL-SMKPNTNISA-N 353.354 0.032 0 1 FCAF O=C(C[C@@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)N1CCc2ccccc2C1 95887649 MNYFKSZVIZZWBR-CADBVGFASA-N 360.454 0.858 0 1 FCAF Cc1nccn1-c1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 145193711 NTVDNYBYZNZSOL-WDZFZDKYSA-N 365.357 0.373 0 1 FCAF CN(C)CCNC(=O)[C@H]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@H]1O2 299842690 ISBPUZSFJUHGHY-ULQDDVLXSA-N 360.458 0.663 0 1 FCAF COc1ccc(S(=O)(=O)N[C@H](c2nc3ncc[nH]c-3n2)[C@H](C)O)cc1 586938306 WIEPTEUNMVXYHL-CABZTGNLSA-N 363.399 0.714 0 1 FCAF C[C@@]1(CO)[C@H]2C[C@H](O)C3=C[C@H]4C[C@]3(CC[C@]4(O)CO)[C@]2(C)CC[C@H]1O 2356323342 BAOAFTJGHZETGJ-OAHUCJHQSA-N 352.471 0.977 0 1 FCAF COc1c(O)cc2c(c1OC)C(=O)O[C@]21[C@@H]2C(=C[C@H](O)[C@H]1O)CCN2C 2356419988 LDKRJBWKYCDFHG-QXHJTNOSSA-N 363.366 0.141 0 1 FCAF CO[C@@H]1C[C@H](OC)[C@H](O[C@H](C[C@H](OC)[C@H](O)[C@@H](C)O)OC)[C@H](C)O1 2356528807 INKMOJUFSBVXNQ-CVRZQRFUSA-N 352.424 0.287 0 1 FCAF O=C(C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@H](O)[C@H]1O)Nc1ccccc1 2356611344 SYNGCFPKQRJTNB-MVJTYMMSSA-N 362.426 0.811 0 1 FCAF CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cnccn2)C1 4546054 NODJUNMGSRSHSY-KCQAQPDRSA-N 350.419 0.373 0 1 FCAF NS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCOC3=O)C(=O)N2 13490186 HHNLJCDJQYVVOF-WDZFZDKYSA-N 359.363 0.868 0 1 FCAF CC(=O)Nc1ccc([C@H](C(=O)N(C)C)[C@H](N)C(=O)N2CC[C@H](F)C2)cc1 14963928 WVCZEJOFMDZLCX-BPUTZDHNSA-N 364.421 0.715 0 1 FCAF NC(=O)c1ccccc1OC[C@H](O)CNCCNC(=O)c1cccs1 29219039 MLCSJUCHQPGNAK-GFCCVEGCSA-N 363.439 0.606 0 1 FCAF CC1(C)C=C(C(=O)NCCNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)C(C)(C)N1 40503642 WJWCTZGJHRGMMB-STQMWFEESA-N 363.458 0.973 0 1 FCAF COC(=O)CC(CC(=O)OC)(NC(=O)Cc1ccccc1)C(=O)OC 43071693 DEVJOLOQGVFDRT-UHFFFAOYSA-N 351.355 0.383 0 1 FCAF CC(C)(CO)[C@@H](O)C(=O)NCC(=O)NCc1ccc(C(F)(F)F)cc1 96916981 QTZARNJMOIFQQP-ZDUSSCGKSA-N 362.348 0.817 0 1 FCAF OC[C@H]1O[C@H](Oc2ccc(Cc3ccc(O)cc3)cc2)[C@@H](O)[C@H](O)[C@H]1O 2356479010 AFYIHXBYAWWQPN-LFDJNIOPSA-N 362.378 0.162 0 1 FCAF Cc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2CC(C)C)nc2c1CCC2 14981439 VQADZGCGHUFZNL-QGZVFWFLSA-N 373.501 0.779 0 3 FCAF Cc1nnsc1C(=O)N1CCC[C@@](C)(C(=O)NS(=O)(=O)C2CC2)C1 61902769 VFCNLKQSRQBJKZ-CQSZACIVSA-N 372.472 0.697 0 3 FCAF COC(=O)[C@H]1CN(C(=O)C2CCCC2)CCN1C(=O)C1CCNCC1 25429069 OEHXQJHSJVCNJO-OAHLLOKOSA-N 351.447 0.389 0 1 FCAF biogenic CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](NC=O)[C@H]2SC1 26508281 VZSHWHJKBZNFHF-GXFFZTMASA-N 356.400 0.175 0 1 FCAF CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)CCN2 82204841 DKFKLAJIXPRODB-UHFFFAOYSA-N 359.386 0.244 0 1 FCAF CC(C)=CCc1cc(C(=O)O)ccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 85880795 ZTHSABILDCCHJR-CWIFOLKKSA-N 368.382 0.072 0 1 FCAF in-man C[C@@H]1CCC[C@@H](OCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)C1 95552470 JDOPVYMZRIDBHT-WVXCVLBUSA-N 359.507 0.901 0 1 FCAF O=C1NC(c2ccccc2)=N[C@@H]2C1=C1CCCN1[C@@]2(O)N1CCOCC1 169305116 RACUMTXUEMARBX-APWZRJJASA-N 354.410 0.273 0 1 FCAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(-n3cnnn3)cc2[nH]1 587205150 YJRRHDQGYDMEBQ-CYBMUJFWSA-N 356.390 0.617 0 1 FCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)N1 587829772 RDYGSNMRYVVLSB-DRUGUEGCSA-N 364.211 0.239 0 1 FCAF CN1C(=O)NC(=O)[C@@H]2CC[C@@H](C(=O)NCc3ccn(C4CCCC4)n3)N[C@H]21 618013219 IGMZYFPCLUTRIW-ILXRZTDVSA-N 374.445 0.490 0 1 FCAF CC[C@H](C)[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@H](CCCCN)C(=O)O 2356708907 HNDWYLYAYNBWMP-YJNKXOJESA-N 372.510 0.589 0 1 FCAF CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(C)cc1 61949195 VRDPHPGYUJCFQD-IGMJJTELSA-N 369.421 0.671 0 3 FCAF O=C(O)/C=C(\C(=O)O)[C@@]12CCN3CC4=CCO[C@H]5CC(=O)N[C@@H]1[C@@H]5[C@@H]4C[C@@H]32 33913319 LBAWZETUMGOMOM-RKDBZMPXSA-N 374.393 0.006 0 1 FCAF O=C(O)[C@@H]1O[C@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@@H](O)[C@@H]1O 36272649 GEASOSNSHDZQIK-OHTBPHCPSA-N 363.374 0.275 0 1 FCAF Cc1ccc(S(=O)(=O)CC(=O)/N=c2/scc(CC(=O)O)n2O)cc1 40933826 WUMVYJPSOCPEJQ-CCEZHUSRSA-N 370.408 0.624 0 1 FCAF OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nccc32)[C@H](O)[C@@H]1O 49051384 IZGQTRLJPJSZMN-GFOCRRMGSA-N 356.382 0.655 0 1 FCAF O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CC1 95794208 PPIWCRMZBWEMRU-ARFHVFGLSA-N 354.447 0.354 0 1 FCAF C[N+]1=CNC[C@@]1(C)C[C@@H](NC(=O)c1cc(Br)c[nH]1)C(=O)O 210484464 SUQOMBNELBOXBZ-ZWNOBZJWSA-O 358.216 0.383 0 1 FCAF NS(=O)(=O)c1ccc(-c2cnc(C(=O)NC3CCNCC3)o2)cc1 1857560651 FBOQUPASYJUKKS-UHFFFAOYSA-N 350.400 0.471 0 1 FCAF Nc1nc2c(ncn2Cc2ccccc2OCP(=O)(O)O)c(=O)[nH]1 2014094 AFCDMNPLNJGIQN-UHFFFAOYSA-N 351.259 0.264 0 1 FCAF CC(C)C(=O)NCCNC[C@H](O)COc1ccccc1NS(C)(=O)=O 27107998 NNSXTFSILUQEON-ZDUSSCGKSA-N 373.475 0.160 0 1 FCAF NC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 28968151 ADCFGOKTQLJIEB-UHFFFAOYSA-N 370.412 0.625 0 1 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CC(=O)OCC1=C2CC[C@H]3[C@@H]([C@H]2OC1=O)[C@@](C)(O)[C@@H](OC(C)=O)C[C@H]3O 2356627264 BVUOEMQPQZHKOS-PWCRNCHQSA-N 368.382 0.245 0 1 FCAF O=C(CC[C@@H]1CNC(=O)[C@H]2C[C@@H](NC(=O)c3ccco3)CN12)NC1CC1 2356834317 KATWGLHKZZWCRG-MGPQQGTHSA-N 360.414 0.010 0 1 FCAF COC1=C(Br)[C@@H](O)[C@](O)(CC(N)=O)C=C1Br 2356835192 KPHMWCROXZHPKY-RKDXNWHRSA-N 356.998 0.499 0 1 FCAF CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 2564464 QJOFRQKWYZAXIZ-ROUUACIJSA-N 369.421 0.652 0 1 FCAF CC[C@H]1O[C@H](n2cnc3c(NCC=C(C)C)ncnc32)[C@H](O)[C@@H](O)[C@@H]1O 40165545 MIBAUVZDWWWONW-HFVZKWEFSA-N 363.418 0.595 0 1 FCAF endogenous,in-man COc1ccc(C(=O)N[C@@H]2[C@@H]([C@H](O)CO)O[C@@H]3OC(C)(C)O[C@@H]32)cc1 40836513 UQSXINBHKJVJOD-UTGUJQJDSA-N 353.371 0.023 0 1 FCAF CC[C@@H]1C[C@@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3C[C@H](C[C@@H]23)OC1=O 95486226 KPGAEUHVWSKRCA-WVNGTWQKSA-N 353.415 0.245 0 1 FCAF biogenic,in-vitro O=C(O)C(=O)CC(=O)c1cc(C(=O)CC(=O)C(=O)O)c2ccccc2n1 137567057 OUDWXYLLRFKHNC-UHFFFAOYSA-N 357.274 0.688 0 1 FCAF Nc1nc(O)c2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2n1 587164531 UCXDSIQOGSATEI-UHFFFAOYSA-N 355.333 1.058 0 1 FCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc(Cl)cc2[nH]1)C(=O)O 587218335 IEUYUWLRYSDRJP-WCBMZHEXSA-N 368.777 0.520 0 1 FCAF CSCC(=O)N[C@H]1Cc2ccc(SCCO)c(C(=O)O)c2OB1O 1911582078 BUKHDABGRLCUFD-JTQLQIEISA-N 371.245 0.272 0 1 FCAF OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5CC[C@@H]4C5)ncnc32)[C@H](O)[C@@H]1O 100323113 YKPCEENRZZBDMC-MEFMYIJPSA-N 361.402 0.038 0 1 FCAF in-vivo O=C(O)CNCCNCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587228934 KPPIEQQWYWNPTR-UHFFFAOYSA-N 371.191 0.787 0 1 FCAF NCc1cc(OCc2cccc(C(=O)NCCN3CCOC3=O)c2)ncn1 1857556079 XCEYJCWOBXDOQE-UHFFFAOYSA-N 371.397 0.696 0 1 FCAF CO[C@@H]([C@@H](COC(C)=O)OC)[C@H](OC)[C@H](COC(C)=O)OC(C)=O 2356531193 RUAAXNGDIMCTCD-CBBWQLFWSA-N 350.364 0.089 0 1 FCAF O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1OCCCc1ccccc1 5955955 PKAUUFQQSOSZIW-KBMXLJTQSA-N 362.382 0.189 0 1 FCAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCc1nc(C)c(C)[nH]c1=O 28825452 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CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587233805 ATABSWPFGLQXNJ-ZIAGYGMSSA-N 371.441 0.163 0 1 FCAF O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3cccc4nccn34)N2C(=O)[C@@H]2CCCN12 963226970 ZCMZMCAKPLCKNM-ZQIUZPCESA-N 362.393 0.905 0 1 FCAF Nc1ncnn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc(-c3ccc(F)cc3)c12 1911576894 ZSYPSJVKCHZRCX-MIGQKNRLSA-N 360.345 0.272 0 1 FCAF COc1cc(C=CC(=O)O[C@H]2[C@H](O)C[C@@]3(O)C[C@H]2OC3=O)ccc1O 2356440740 OIGFDFULTVHQNZ-JSHWQEIDSA-N 350.323 0.137 0 1 FCAF O=C(O)c1cn(-c2nccs2)c2nc(N3CCNCC3)ccc2c1=O 26180294 RUYUEDZBMWSHCC-UHFFFAOYSA-N 357.395 0.950 0 1 FCAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CON1CCCC1=O 58583459 FTVMJSPOTNPNDW-ZDUSSCGKSA-N 364.354 0.879 0 1 FCAF NCCCNc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1 103269445 XUGKABKKOCZJFT-UHFFFAOYSA-N 357.827 0.677 0 1 FCAF O=C(O)CNCCNCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587228506 DQTZOWFQVKGVPZ-UHFFFAOYSA-N 371.401 0.386 0 1 FCAF COc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](N3CCCC3)[C@@H]2O)c1 2356871971 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O=c1[nH]c(=O)n(C[C@@H]2CC[C@@H](CO)C2)cc1I 40753652 KSMYFDULLARRAI-HTQZYQBOSA-N 350.156 0.550 0 1 FCAF CCNC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 95906416 BFCNITPYXPLZBL-NUEKZKHPSA-N 370.471 0.708 0 1 FCAF CC(=O)CS[C@@H]1N[C@@H]2[C@@H](C(=O)NC(=O)N2C)N1Cc1cccc(C)c1 618016095 BHVRMFPRKQAMJR-GRDNDAEWSA-N 362.455 0.882 0 1 FCAF COc1ccc(CCNc2nc(N)c(C(=O)NC(=N)N)nc2Cl)cc1 653870673 CIVUWOJMUMMBAO-UHFFFAOYSA-N 363.809 0.999 0 1 FCAF N=C(N)NC(=O)Cc1cccc(CCc2cnc(N3CCOCC3)nc2)c1 1772586696 CTMHWNLKSPWXPB-UHFFFAOYSA-N 368.441 0.651 0 1 FCAF O=C(N[C@@H]1[C@H](c2ccc(N3CCOCC3)nc2)C[C@@H](O)[C@H]1O)C1CCC1 2356286684 LTSPNNBGPAEYMQ-BURFUSLBSA-N 361.442 0.412 0 1 FCAF CSCC[C@@H](N)C(=O)NCC1CCC(C(=O)N[C@H](C)C(=O)O)CC1 8489811 BLKNOEDDSJAVEH-IKWCTNDRSA-N 359.492 0.579 0 1 FCAF biogenic O=P(O)(O)C(O)(CCN1CC[C@@H](c2ccccc2)C1)P(=O)(O)O 27194837 YOXLICBFUZYKFK-GFCCVEGCSA-N 365.259 0.868 0 1 FCAF CCS(=O)(=O)N[C@@H]1C=C[C@@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO 95907647 DEXXMUXTCTWJRD-ARFHVFGLSA-N 374.503 0.697 0 1 FCAF C[C@H](O)CC(=O)O[C@@H]1CN2Cc3cc4c(cc3[C@@]13C=C[C@@H](O)C[C@@H]23)OCO4 2356420602 IDBLRTJXYSJNAB-VEMGGZJRSA-N 373.405 0.854 0 1 FCAF Nc1nc(C[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)n[nH]1 34336893 JDCWOWORSQBBDQ-NSHDSACASA-N 362.365 0.931 0 1 FCAF CN(C)CCN1C(=O)c2cccc3c(NCCNCCO)ccc(c23)C1=O 45498646 XIGDQSRKYZOWIE-UHFFFAOYSA-N 370.453 0.991 0 1 FCAF CC(=O)O[C@H]1[C@H]2OC(=O)C(C)=C2[C@@H]2OC(=O)[C@]3(CC[C@H]4O[C@]14C)O[C@@H]23 195437615 BTFYCCJHXMPDKJ-QJGXXWBSSA-N 350.323 0.174 0 1 FCAF C[C@H]1CC[C@@H]2OC(=O)[C@]3(CO)C[C@H]4O[C@@]35C[C@]2(O)[C@]1(C)C=C5[C@]4(C)O 238748632 GWMKYPYHYJQGBX-OTRYNOFPSA-N 350.411 0.680 0 1 FCAF O=S1(=O)CCN([C@H]2CCCc3cc4c(O)nc(O)nc4nc32)CC1 587564073 YNMLYRYNBRBQHP-NSHDSACASA-N 350.400 0.544 0 1 FCAF Nc1ncc(-c2cc(N3C[C@H]4C[C@H]3CN4)nc(N3CC4CC3C4)n2)cn1 653680471 RFKBGJBUXNJZSZ-NRRCRZMTSA-N 350.430 0.665 0 1 FCAF COc1ccc(C=CC(=O)O[C@@H]2[C@H](C)O[C@H](O)[C@@H](OC(C)=O)[C@@H]2O)cc1 2356498021 GWYPCEPXZGWZNI-RSRHVSAYSA-N 366.366 0.650 0 1 FCAF COC(=O)C1CCN(S(=O)(=O)CCNC(=O)c2ccc(F)cc2)CC1 4940999 RZYOYFMMZBPMRB-UHFFFAOYSA-N 372.418 0.770 0 3 FCAF O=C1CN2Cc3cc(OCCCC(=O)N4CCOCC4)ccc3N=C2N1 26952067 VAWNYCHSWYHLLA-UHFFFAOYSA-N 358.398 0.637 0 1 FCAF CC1=CC(=O)O[C@@H]1[C@@]1(C)C[C@H]2OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@@]32[C@@H]14 34553623 QFFKFFIFIWKYEB-MWVFVGDUSA-N 364.394 0.532 0 1 FCAF biogenic,in-vitro CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NC[C@H](N)C(=O)c1ccccc1 38142990 SVFXGCVMKPPMGU-ZWKOTPCHSA-N 369.421 0.766 0 1 FCAF CC(C)NC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CNC(=O)CN(C)C 95895039 NVPQDCKCIXYJGR-JFIYKMOQSA-N 362.474 0.611 0 1 FCAF CC(C)NC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCN2CCCC2)O[C@@H]1CO 95907493 FTIYXGGJAAWHHL-ARFHVFGLSA-N 370.494 0.205 0 1 FCAF CO[C@@H]1CN(c2ccccc2)S(=O)(=O)[C@@]12CCN(S(C)(=O)=O)C2 299867542 QFYYVYZUJSLXQO-ZIAGYGMSSA-N 360.457 0.256 0 1 FCAF COC[C@H](C(=O)N1CCN(c2ccc(C)cc2)CC1)N1C(=O)CCC1=O 1772631913 QQRGYAIGEREUKN-MRXNPFEDSA-N 359.426 0.808 0 1 FCAF Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CSC(F)(F)F)[C@@H](O)[C@@H]1O 5594761 SVAPYGHZOUZUSS-PERBPWGJSA-N 351.310 0.281 0 1 FCAF C[C@H](Nc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1)C(=O)O 72142587 NUUXUVVOXGUCCK-LURJTMIESA-N 372.794 0.801 0 1 FCAF COC[C@@]1(C)O[C@](C)(n2cnc3c(Cl)nc(N)nc32)[C@](C)(O)[C@]1(C)O 95535438 XKRFLXDKZNEDAS-TUVASFSCSA-N 371.825 0.672 0 1 FCAF CN(C)CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 95795564 BIRWYFOVADHACS-IEBWSBKVSA-N 371.481 0.916 0 1 FCAF O=C(NC1CCCC1)N[C@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@H]1CO 95903492 HXDRGRNUAHHKIF-PMPSAXMXSA-N 369.462 0.386 0 1 FCAF COCCN1C(=O)CC[C@@]1(C)c1nnnn1-c1ccc2c(c1)OCCO2 95599303 KHIHSPSLYBEVJT-KRWDZBQOSA-N 359.386 0.918 0 3 FCAF CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](NC(C)=O)[C@@H]1OC(C)=O 255971670 FJEJQSQCOOUCJJ-NXBFSHDWSA-N 365.382 0.908 0 3 FCAF C[C@H](/C=C/[C@@H]1[C@H](C)CC(=O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 85878792 NLPBBNGDXNHAJP-IEJAAOAHSA-N 372.458 0.389 0 1 FCAF in-man CCC(CC)O[C@@H]1C=C(P(=O)(O)O)C[C@H](NC(=N)N)[C@H]1NC(C)=O 95559080 NLOONHWUUBBYCD-YNEHKIRRSA-N 362.367 0.382 0 1 FCAF COC(=O)C[C@](O)(COC(=O)/C=C/c1ccc(O)c(OC)c1)C(=O)OC 238772744 JINNYRORWXGFBA-UABRLCRWSA-N 368.338 0.424 0 1 FCAF O=C(NCc1cccnc1)c1cccn2c(=O)cc(N3CCOCC3)nc12 473131259 NIFDYLMXHVDYSD-UHFFFAOYSA-N 365.393 0.856 0 1 FCAF N[C@H](Cc1nc2ccc(F)c(F)c2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587218831 IPKUNEBTFXODTG-VXNVDRBHSA-N 370.312 0.145 0 1 FCAF CO[C@@H]1C[C@H](OC)[C@H](O[C@H](C[C@H](OC)[C@H](O)[C@H](C)O)OC)[C@@H](C)O1 2356528808 INKMOJUFSBVXNQ-DXFYZWRZSA-N 352.424 0.287 0 1 FCAF O=C(/C=C/c1ccccc1)N1CCn2c(nnc2C(=O)N2CCOCC2)C1 74376289 YTXNCQZWZPXOAW-VOTSOKGWSA-N 367.409 0.806 0 3 FCAF C[C@H](CO)[C@H]1OC(=O)C=C2[C@@]3(C)C[C@@H]4O[C@@H]4[C@]4(C)C(=O)O[C@@H]([C@H]34)[C@H]3O[C@@]231 5751452 HFEAHCITXGPGJQ-CTBAQXOQSA-N 362.378 0.343 0 1 FCAF C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)n1ncn2cccc2c1=O 6799666 WRZLPKGPJWCVAC-AWEZNQCLSA-N 352.398 0.801 0 1 FCAF CC(C)CC(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(N)=O)C(C)C 26988262 RLCRPAALSXZAIG-GRDNDAEWSA-N 357.495 0.941 0 1 FCAF COc1ccc(C(=O)c2ccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1 28004012 CUKBMNYURUPQJS-LULLPPNCSA-N 360.362 0.744 0 1 FCAF NS(=O)(=O)c1ccccc1N1S(=O)(=O)c2ccccc2S1(=O)=O 95590357 OANGNCCVTPMLCD-UHFFFAOYSA-N 374.421 0.232 0 1 FCAF COc1ccccc1Cn1c(=O)c2c(=O)c3[nH]cc[nH]c3c(=O)c2c1=O 137078281 MIQNXGMQXROGMS-UHFFFAOYSA-N 351.318 0.386 0 1 FCAF CC1(C)[C@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@H]4[C@@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O 253680299 BWMFRQKICHXLSH-WYBHBWEQSA-N 370.486 0.168 0 1 FCAF CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@@H]4OC[C@@]31[C@H]42 255228428 LSZAYVFSXLKVGC-BRNITRMESA-N 364.438 0.638 0 1 FCAF O=S(=O)(c1ccccc1)N1C[C@H]2COC[C@@]2(CN2CCOCC2)C1 299843546 UAKKLEORCUGMRI-DOTOQJQBSA-N 352.456 0.656 0 1 FCAF CN(C)S(=O)(=O)CCc1nc2ccc(CN3CCOCC3)cc2[nH]1 586931987 RHDJVNAFBLJANY-UHFFFAOYSA-N 352.460 0.829 0 1 FCAF CCn1c(Cn2cncn2)nnc1C1CCN(C[C@H]2[C@H]3CNC[C@H]32)CC1 1857575511 KJJMSBAAQLTUFN-MUJYYYPQSA-N 356.478 0.583 0 1 FCAF CCCCN1C(=O)[C@H]2C[C@H](O)CN2C2(CN(Cc3ccccc3)C2)C1=O 2356290169 KZDWDQVTUASWTO-DLBZAZTESA-N 357.454 0.845 0 1 FCAF Cn1c(=O)n(CC(=O)N2CCC3(CC2)OCCO3)c(=O)c2ccccc21 2922905 ARZSKIVOLYRUNU-UHFFFAOYSA-N 359.382 0.066 0 3 FCAF CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](CC)(C1=O)N2C(=O)c1ccccc1 61949137 ONHPHKZOTCXJSN-IGMJJTELSA-N 369.421 0.753 0 3 FCAF Cc1ccc(N2C(=O)N[C@H]3CCN(C(=O)COCC(=O)O)[C@H]3C2=O)cc1 25229509 KTLMVSPFQZJNBE-SWLSCSKDSA-N 361.354 0.122 0 1 FCAF biogenic Nc1nc(-c2cc(N3C[C@H](O)[C@@H](O)C3)ccc2O)cc([C@@H]2CCCNC2)n1 72139694 UIUYDZQKYIIPIT-VQTKTOELSA-N 371.441 0.440 0 1 FCAF CNS(=O)(=O)c1cc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)n(C)c1 586947519 QPISYGCGIOBEBH-UHFFFAOYSA-N 369.428 0.124 0 1 FCAF CCO[C@@H]1O[C@H](C)[C@H](O[C@@H]2C[C@H](OC)[C@H](O)[C@H](C)O2)[C@@H](OC)[C@H]1O 2356375032 NLNDFARCRMRRRE-XCDUXGEYSA-N 350.408 0.040 0 1 FCAF CC(=O)CCC1=C(C)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356466342 BJFKUIUNGGPCAB-YGTFVGLLSA-N 372.458 0.677 0 1 FCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3Cc4ccccc4C3)[C@@H](O)[C@H]2O1)NC1CC1 2356508080 BWVDUXVVTIFWIW-NRVIEEGESA-N 372.465 0.698 0 1 FCAF C[C@@H]1C(=O)CCC(C)(C)[C@H]1C=C[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356528279 WISFQIFVVZVFRA-DNQURBKWSA-N 372.458 0.389 0 1 FCAF CO[C@H]1[C@@H](OC(C)=O)[C@H]2c3cc4c(cc3CN3CC=C([C@H]1O)[C@@H]23)OCO4 2356783927 MOWAHCOFZKJVJP-QXCZDIPSSA-N 359.378 0.944 0 1 FCAF COC(=O)C1=C(C)N(NC(=O)c2ccccc2)[C@](C)(O)[C@]12CCOC2=O 1620909 VZSAHIHZJOKJCJ-QZTJIDSGSA-N 360.366 0.736 0 1 FCAF O=C1c2cc(NCCO)ccc2S(=O)(=O)c2cc(C3=NCCN3)ccc21 13755817 LXIJUEWJGNSKTB-UHFFFAOYSA-N 371.418 0.818 0 1 FCAF O=C([C@H]1[C@@H]2N[C@@H](Cn3c2cccc3=O)[C@@H]1CO)N1CCc2ccccc2C1 95881544 WCVQZBWBNHVCOB-XAMWDVODSA-N 365.433 0.684 0 1 FCAF COC(=O)C[C@H]1C[C@H]2c3cc(NS(C)(=O)=O)ccc3O[C@H]2[C@@H](CO)O1 95901758 STSQWNRYWIJNCW-HTWGDNNSSA-N 371.411 0.616 0 1 FCAF CC(C)C[C@@H](C(=O)O)N1C[C@@H]2O[C@@H](C(=O)N3CCCCC3)[C@@H](O2)C1=O 215914883 ZUAFSVKYYOXGST-REWJHTLYSA-N 354.403 0.451 0 1 FCAF Cc1c(Oc2cnc(C(=O)N3CC[C@@](C)(O)C3)cn2)ccc2c1B(O)OC2 1772602775 YOJXZNRVCANZTN-GOSISDBHSA-N 369.186 0.392 0 1 FCAF C=c1ncsc1=C1NN=C([C@H]2CCCN2C(=O)c2ccn(CC)n2)O1 1857592229 BRZBAMXTUMXBNA-GFCCVEGCSA-N 358.427 0.074 0 1 FCAF COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@H](n3ccnc3)[C@H]2O)cc1 2356297794 YIFAHSWRIUKVAE-SUJAAXHWSA-N 360.370 0.739 0 1 FCAF COc1cc(O)c2c(c1)[C@@]13O[C@@]4(C)C[C@@](O)(C(=O)C[C@@]1(C)O4)[C@@H]3OC2=O 2356326287 WLKHTSIFYKYELK-RZFLPCETSA-N 362.334 0.764 0 1 FCAF COc1cc2c(c(O)c1OC)C(=O)C[C@H]([C@]1(O)CCC(=O)C[C@@H]1O)O2 2356408294 APKLMFXWPFKKNT-AHIWAGSCSA-N 352.339 0.588 0 1 FCAF C[C@H]1CC(=O)CC(C)(C)[C@@H]1C=C[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356443475 NLPBBNGDXNHAJP-IXHWPZICSA-N 372.458 0.389 0 1 FCAF CCN(C)[C@H]1CN(Cc2cn(Cc3ccc(F)cc3)nn2)S(=O)(=O)C1 96020997 OCOFSSIAYNKMIR-INIZCTEOSA-N 367.450 0.931 0 3 FCAF Nc1nc(NCC(F)(F)F)c2ncn(CCOCP(=O)(O)O)c2n1 3639628 VFOXDAHCGDXOMK-UHFFFAOYSA-N 370.228 0.535 0 1 FCAF CCN(C(=O)N1C[C@@H](C(=O)O)[C@@H](N)[C@@H]1CNC(=O)C(F)(F)F)C(C)C 3994907 KRSIVMHLZOHCGR-KXUCPTDWSA-N 368.356 0.228 0 1 FCAF in-vivo Cc1ccccc1CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 4475299 OOEMZCZWZXHBKW-OGIUKLMXSA-N 371.397 0.358 0 1 FCAF CC(=O)c1ccc(NC(=O)N[C@@H]2CCN3C(=O)[C@H]4CCCN4C(=O)[C@H]23)cc1 25169910 ZCRHAEOTAHSKIE-OAGGEKHMSA-N 370.409 0.985 0 1 FCAF biogenic O=C(OCn1ncc2c(=O)[nH]cnc21)c1ccc(CN2CCOCC2)cc1 26509090 PYTOEBAULXXAAW-UHFFFAOYSA-N 369.381 0.766 0 1 FCAF O=C(O[C@@H]1CN2CCC1CC2)[C@](O)(CN1CCNCC1)c1ccccc1 26837193 WOMHAQOLTVZVJK-QUCCMNQESA-N 359.470 0.417 0 1 FCAF O=C1[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(S(=O)(=O)N2CCCC2)cc1 35075651 OZACSBBVZJZQEF-GEEKYZPCSA-N 374.418 0.914 0 1 FCAF O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CC1 95675154 LATIXEUUNJKTQG-JYJNAYRXSA-N 352.431 0.130 0 1 FCAF CC(=O)N[C@@H](CS[C@@H]1[C@@H](C)C[C@H]2CC[C@H]3OC(=O)[C@@H]1[C@@]23O)C(=O)O 653913891 PCFCEFRDLQYOTK-UYQRXUCPSA-N 357.428 0.400 0 1 FCAF C[C@@]1(CO)[C@H]2CC=C3[C@H](O)[C@H]4C[C@]3(CC[C@@]4(O)CO)[C@]2(C)CC[C@H]1O 2356323682 DPQUBEJAXNNYGA-VAJSKODXSA-N 352.471 0.977 0 1 FCAF COC(=O)[C@@]12COC[C@H](O)[C@@]3(CO)[C@H]1CCN3Cc1c2[nH]c2ccccc12 2356672533 NFFDWQHQHAKJON-CPLUKWAASA-N 372.421 0.536 0 1 FCAF C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2ccsc2)c2c(N)ncnc21 84689106 XBPVCSYOZKWBCN-QTDMDRALSA-N 362.411 0.744 0 1 FCAF CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1 95885279 LKURNHMJNKZKIW-WCXIOVBPSA-N 368.474 0.839 0 1 FCAF O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccncc1 95905163 IROYBOQXOSSVQK-ULQDDVLXSA-N 359.426 0.689 0 1 FCAF CCNC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 95906543 SRPGMYIGJWTTHA-IMJJTQAJSA-N 368.455 0.484 0 1 FCAF Cc1cc(O)c(-c2csc(NC(=O)CN3CCN(C)CC3)n2)c(=O)o1 98084005 FDKDEIBBXVTHSF-UHFFFAOYSA-N 364.427 0.963 0 1 FCAF COc1ccc2c(c1O)[C@@]13CCN[C@@]14C[C@@H]2O[C@@]4(OC)[C@@H](OC)[C@@H](O)C3 138683622 ACRRBZDXZFFIGZ-AMTPKYOQSA-N 363.410 0.968 0 1 FCAF Cn1c(=O)cnn(CCCCN2CCN(c3cccc(F)n3)CC2)c1=O 146085266 WLMOZTMDNWZSCV-UHFFFAOYSA-N 362.409 0.079 0 1 FCAF CN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C[C@@H]3[C@@H](CO1)[C@@H]1[C@@H]2[C@@]3(CO)CN1C#N 195502610 PFHIZEOQCBBUAK-ZJTHNYMTSA-N 351.406 0.709 0 1 FCAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(O)nc(S)nc2[nH]1 586939453 PBCPEEZJCFGTKU-RXMQYKEDSA-N 355.405 0.120 0 1 FCAF Cc1cc2nc(C[C@@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2cc1F 587219788 LPVGOEMQIHMRAL-ZJUUUORDSA-N 366.349 0.314 0 1 FCAF COC(=O)c1ccccc1-n1cc(-c2c(O)nc(O)nc2C(=O)O)nn1 1772571734 ZNIZYPRPABPBCQ-UHFFFAOYSA-N 357.282 0.620 0 1 FCAF O=S(=O)(NC[C@@H]1OC[C@H](NCc2ccccn2)[C@H]1O)c1ccccc1 2356292568 UDFXVZXPZSIPGP-YESZJQIVSA-N 363.439 0.278 0 1 FCAF COCCc1nccc(C[C@@H]2[C@H](NCc3ccccn3)C[C@H](O)[C@H]2CO)n1 2356317617 GUPBJMZAHPVHQO-OKYOBFRVSA-N 372.469 0.751 0 1 FCAF COc1c(O)cc2c(c1OC)C(=O)O[C@@]21[C@H](O)[C@H](O)C=C2CCN(C)[C@H]21 2356419986 LDKRJBWKYCDFHG-JJSROIJQSA-N 363.366 0.141 0 1 FCAF COc1ccc2c(c1O)[C@]13CCN(C)[C@@]14C[C@H]2O[C@]4(OC)[C@H](O)[C@@H](O)C3 2356598688 XSFZFSOPRBJQAU-QQODFQTNSA-N 363.410 0.656 0 1 FCAF C/C=C1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 1699714 BCJMNZRQJAVDLD-HKKPUIFWSA-N 351.399 0.165 0 1 FCAF Cc1cc2ncn([C@H]3O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]3O)c2cc1C 5930818 JIABVZWSYKDHDJ-SYQHCUMBSA-N 358.287 0.382 0 1 FCAF in-vitro N[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccno2)C1 27643132 WGDMEGFZRHUBKB-MRVPVSSYSA-N 359.317 0.748 0 1 FCAF O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccccn1 95676182 CJRAIIYLTSRGNA-ZMSDIMECSA-N 359.426 0.899 0 1 FCAF CCOC(=O)C1=C[C@H](c2ccc3c(O)nc(O)nc3n2)C(=O)N(C)C1=N 587559489 YUYCYFQMVSIAON-MRVPVSSYSA-N 357.326 0.458 0 1 FCAF O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3cccc4cncn34)N2C(=O)[C@@H]2CCCN12 963221437 XUGHOKRCUAVZNO-YQQAZPJKSA-N 362.393 0.905 0 1 FCAF CN1C(=O)[C@H]2C[C@@H](O)CN2C2(CN(Cc3c[nH]c4ccccc34)C2)C1=O 2356290118 JVBFVSDOQUWSHB-CZUORRHYSA-N 354.410 0.156 0 1 FCAF CC1=C(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)C[C@H]([C@H](C)[C@@H](O)C(C)C)OC1=O 2356407776 KOFVWXZEUQGYMD-XPFVDZDYSA-N 374.430 0.073 0 1 FCAF CN(CCc1ccccn1)[C@@H]1[C@H]2OC[C@@H](O2)[C@H](NCc2cccn2C)[C@H]1O 2356849411 PWDOMGMXBCJEEM-CXQPBAHBSA-N 372.469 0.537 0 1 FCAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]1(O)CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H](O)[C@@H]12 6482933 ZINGMSLHDAUDDW-BMOJHVTCSA-N 352.383 0.518 0 1 FCAF CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)[C@H](C)CC 39831496 CSQNHSGHAPRGPQ-AICCOOGYSA-N 372.510 0.589 0 1 FCAF biogenic CCn1c(SCCOC)nc(N)c(N(CCOC)CCOC)c1=O 73161544 MRXANQBZKBTLQW-UHFFFAOYSA-N 360.480 0.683 0 1 FCAF C[C@H](/C=C/[C@@H]1[C@H](C)CC(=O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257494112 NLPBBNGDXNHAJP-OVXDNSEGSA-N 372.458 0.389 0 1 FCAF endogenous,in-man N[C@@H](CN1C=C[C@@]2(C(=O)C1)c1c(F)cccc1C[C@H]1CCCN12)C(=O)O 963097776 HKLPRKJNXYYMQM-FRIZHTMISA-N 359.401 0.852 0 1 FCAF CC(=O)N1CCCN(c2cc(C(=O)N[C@H]3CCN(C#N)C3)ccn2)CC1 1857535829 ZUYGZLCUQVYYHF-INIZCTEOSA-N 356.430 0.425 0 1 FCAF Cc1c(C(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)cnn1-c1nc(=O)c2cccn2[nH]1 1857615124 ZDURPCYFTTUGTJ-GHMZBOCLSA-N 360.324 0.854 0 1 FCAF CC(=O)N1CCC(N[C@@H]2CO[C@@H](CNC(=O)C3CCCC3)[C@H]2O)CC1 2356286992 BNMWKFNJPCNQSO-IKGGRYGDSA-N 353.463 0.022 0 1 FCAF CSCC[C@H](C(=O)NCCC(=O)O)n1c(=O)[nH]c2ccccc2c1=O 6908402 XRQASEJKPLXWQB-GFCCVEGCSA-N 365.411 0.575 0 1 FCAF biogenic CCc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1 28093633 FXHOLBKPEQYDBA-WLLUSJSYSA-N 371.397 0.744 0 1 FCAF C[C@@]12CC[C@H](CS(=O)(=O)c3nc[nH]n3)C[C@]1(C)C[C@@H](C(=O)O)NC2 29227369 MQFAYNCEKGLLKI-LWWSYDQCSA-N 356.448 0.838 0 1 FCAF CC(C)C[C@@H](NP(=O)(O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)O 29344524 XHDKBRXIGMXIDI-CHWSQXEVSA-N 358.331 0.896 0 1 FCAF CC1(C)C=C(C(=O)NC[C@H](O)CN2C(=O)c3ccccc3C2=O)C(C)(C)N1 40640148 ZCFVMRSSDATJKL-LBPRGKRZSA-N 371.437 0.847 0 1 FCAF COCCN1C[C@H](O)CN(C(=O)c2cccc(C(F)(F)F)c2)CC1=O 105847231 FCHHWZVELWFSOG-ZDUSSCGKSA-N 360.332 0.997 0 1 FCAF CCOc1c(OC)cc2c(c1OCC)C(=O)N[C@@H]1[C@@H]2C[C@H](O)[C@H](O)[C@@H]1O 1857573638 PJLWGUSLESAWJV-AVFNUOGKSA-N 367.398 0.175 0 1 FCAF CC[C@H](C)C(=O)OC[C@H]1O[C@H](Oc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O 2356348951 NHVGUAJCULYBFP-RCLBLLGDSA-N 356.371 0.168 0 1 FCAF CO[C@H]1N([C@@H]2C[C@H](F)[C@H](CO)O2)C(=O)NC(=O)[C@]1(C)Br 5832407 DUICDJHBRPQIQD-FNDGILDSSA-N 355.160 0.110 0 1 FCAF Cn1c(P(=O)(O)O)cnc1-c1nc2c(N)ncnc2n1CC(C)(C)C 40937382 UJGQSPLTBAQZRQ-UHFFFAOYSA-N 365.334 0.658 0 1 FCAF C[C@@]1(CO)[C@H]2CCC3=C[C@H]4C[C@]3([C@H](O)C[C@]4(O)CO)[C@]2(C)CC[C@H]1O 2356720686 GQYCEVDLCYZRSU-HTZJVTINSA-N 352.471 0.977 0 1 FCAF Cc1c(Oc2cnc(C(=O)N[C@H](C)[C@@H](C)O)cn2)ccc2c1B(O)OC2 1772630636 JJKYAZXGJJPDDZ-GHMZBOCLSA-N 357.175 0.294 0 1 FCAF CCNC(=O)/C(=C1/C(=O)Nc2ccc(S(N)(=O)=O)cc21)c1ccc[nH]1 14962881 DWCYVKBATKTBGI-BUHFOSPRSA-N 360.395 0.661 0 1 FCAF OC[C@@H]1O[C@@H](n2cnc3c(/C=C(/O)c4ccccc4)ncnc32)[C@@H](O)[C@@H]1O 102945219 MHMCIRXDRBTNOZ-HLYRVJNRSA-N 370.365 0.494 0 1 FCAF CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1OC(=O)[C@H]1C(C)C)C(C)C)C(=O)O 473136280 PDPYJYDVMZXUKQ-ZDEQEGDKSA-N 356.419 0.550 0 1 FCAF CC(C)CC(=O)c1c(O)cc(O)c2c1O[C@]1(C2)OC[C@H](O)[C@H](O)[C@H]1O 2356618749 GEENITLHYWQDTC-SDNTUTLCSA-N 354.355 0.071 0 1 FCAF O=C(Nc1cccnc1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cc(Cl)cn2)[C@@H]1O 2356735812 SBSNJPWVRFQDLB-RGDJUOJXSA-N 365.777 0.779 0 1 FCAF C[C@H](NC[C@H](O)COc1ccc(CC(N)=O)cc1)[C@@H](O)c1ccc(O)cc1 28462087 JPESONWGBOJPDW-QKMWGZLOSA-N 374.437 0.871 0 1 FCAF O=C1OCc2c(cc3n(c2=O)Cc2nc4ccc(O)cc4cc2-3)[C@@]1(O)CO 68590104 OTRHBYQOGSAORE-IBGZPJMESA-N 366.329 0.368 0 1 FCAF biogenic CO[C@]1(C)O[C@H]2C[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2O1 95921696 RZZJBSCIXGKEAC-QOTRURMSSA-N 360.359 0.537 0 1 FCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(N4CC[C@@H](F)C4)nc23)N1 205031890 LNHMPILLPYVHKV-QQCYMQAYSA-N 372.364 0.427 0 1 FCAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3c(O)nc(O)nc3[nH]2)cc1 586926410 PLMXGQRLGWNCEU-UHFFFAOYSA-N 362.367 0.983 0 1 FCAF Cc1nc(-c2cnn3c2CN(C[C@@H]2CCC[C@H]2O)CC3)c2c(=O)nc[nH]n12 1772627879 OTGWXKUTFIPMEB-SWLSCSKDSA-N 369.429 0.566 0 1 FCAF COC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1 95605654 LHBIZXVHMUYVAX-FPMFFAJLSA-N 359.375 0.352 0 3 FCAF CCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(Br)c3=O)[C@@H]21 206064288 CFNAKZIGVBHWGZ-NGERZBJRSA-N 371.231 0.767 0 3 FCAF N[C@@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1 1530582 QYIYFLOTGYLRGG-ISTVAULSSA-N 367.814 0.621 0 1 FCAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CSC(F)(F)F)[C@@H]2SC1 28090841 UNHRCAJQMBWKCH-RCOVLWMOSA-N 356.347 0.998 0 1 FCAF CC[C@H](COC(C)=O)O[C@H](COC(C)=O)n1cnc2c(N)ncnc21 28107106 RJHBOSJYGMXAFN-VXGBXAGGSA-N 351.363 0.829 0 1 FCAF Nc1cccc2c1ncn2[C@@H]1O[C@H](CSCCC(=O)O)[C@@H](O)[C@H]1O 28956603 HFSHDLUNYAZEMK-JUDXGUMMSA-N 353.400 0.446 0 1 FCAF Cc1cc(C(=O)NCCc2nc(C(=O)NCCN(C)C)cs2)no1 70725338 KWDJXOGNXOYTFB-UHFFFAOYSA-N 351.432 0.703 0 1 FCAF O=C1[C@@H](O)[C@H](O)C[C@](O)(C(=O)O)[C@@H]1Cc1c(F)c(F)c(F)c(F)c1F 95920626 ZNZHQTVBMHBUCF-GLOYCNQYSA-N 370.226 0.051 0 1 FCAF in-vitro CCOC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@@H](O)C(=O)O)nc2c1 586889050 LDKXEFYFMXVYOF-VHSXEESVSA-N 373.159 0.981 0 1 FCAF CN1CCC(N[C@H]2CCC[C@@H](C(=O)NC3CC3)CC(=O)N(C)C2)CC1 2356413482 YINUKWPPSQVGOZ-PBHICJAKSA-N 350.507 0.966 0 1 FCAF COc1ccc([C@]23O[C@@H]4[C@H]2O[C@@](OC)([C@@H]3O)[C@@]4(O)c2ccc(O)cc2)cc1 2356425351 KLNCHNDOLGSXFV-CPPNMTBBSA-N 372.373 0.999 0 1 FCAF COc1ccc([C@]23O[C@](c4ccc(OC)cc4)([C@@H](O)[C@H]2O)[C@H](O)[C@@H]3O)cc1 2356769972 SOOFHQDWPGSKDQ-UIQSMRFCSA-N 374.389 0.282 0 1 FCAF OC[C@@H]1O[C@H](O)[C@H](N[C]2c3ccccc3Nc3ccccc32)[C@H](O)[C@H]1O 2356838261 NJPRZJUAHGHFEG-HXFGRODQSA-N 357.386 0.061 0 1 FCAF COC[C@H]1CCCN1[C@H]1CS(=O)(=O)N[C@@H]1COCc1ccccc1 96021043 UUDZWOJZZZYUAT-ZACQAIPSSA-N 354.472 0.984 0 3 FCAF COC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1 199225946 ZKKMEBLDUWLYAY-IACUBPJLSA-N 361.391 0.576 0 3 FCAF CCCCCCNc1nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]1 26178155 YRFCNNWEMPTGEQ-IJLUTSLNSA-N 351.407 0.753 0 1 FCAF O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](CO)S2)cc1C(F)=C(Cl)Cl 27887490 MHRRXVDFIDEAGA-LYFYHCNISA-N 357.190 0.967 0 1 FCAF COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCCN2C(C)=O)CC1 40916077 PWMKWHALJXGKNC-SFHVURJKSA-N 374.485 0.944 0 1 FCAF in-vitro CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1 95887008 XDZVHRLWUJKWQZ-YJNKXOJESA-N 369.487 0.731 0 1 FCAF Cc1cc(C)c2[nH]c(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)nc2c1 587218373 GKQSBKLJTVEJCL-MNOVXSKESA-N 362.386 0.484 0 1 FCAF C[C@@H]1NC(=O)[C@H](C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)N[C@H]1C 618013153 KIIGYCXNGKHHKN-GRDNDAEWSA-N 362.449 0.725 0 1 FCAF CC(C)C(=O)N1CCN(C(=O)n2sc3c(ccc[n+]3[O-])c2=O)CC1 1772649468 NRTXMQXTOXWBHA-UHFFFAOYSA-N 350.400 0.465 0 1 FCAF CN1CCC(N[C@H]2CCC[C@H](C(=O)NC3CC3)CC(=O)N(C)C2)CC1 2356413484 YINUKWPPSQVGOZ-YOEHRIQHSA-N 350.507 0.966 0 1 FCAF CC(=O)N[C@@H]1CCC[C@H](C(=O)NCc2cc(C)on2)CC(=O)N(C)C1 2356539519 QTFBVKOGJMZSRA-UONOGXRCSA-N 350.419 0.753 0 1 FCAF COCCN1C(=O)CC[C@]1(C)c1nnnn1-c1ccc2c(c1)OCCO2 95599302 KHIHSPSLYBEVJT-QGZVFWFLSA-N 359.386 0.918 0 3 FCAF CC(=O)Nc1ccn([C@H]2CO[C@H](COC(=O)c3ccccc3)O2)c(=O)n1 34281832 BAODLFFHZLIRKZ-CABCVRRESA-N 359.338 0.930 0 1 FCAF COC(=O)CNc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1 66166103 UKXSOQVHRHLCDQ-UHFFFAOYSA-N 372.794 0.501 0 1 FCAF in-vitro COCCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)NC2CCCC2)[C@H](CO)O1 95675438 PYHXZAPBOUOXMO-ZNMIVQPWSA-N 355.435 0.065 0 1 FCAF O=c1c2ncn([C@H]3CO[C@@H](CO)O3)c2nc2[nH]c(-c3cccs3)cn12 101887583 WBLLUCLKXSEJNL-GHMZBOCLSA-N 359.367 0.965 0 1 FCAF CC1=NNC(=O)[C@@H]1[C@H]1CC(c2c[nH]c3ccccc23)=NN(C(N)=O)C1=O 102934968 RVALZZMAGHPCHB-YGRLFVJLSA-N 352.354 0.921 0 1 FCAF O=C(NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CC1 4569119 VTLKDPZPNLDPFZ-ZDUSSCGKSA-N 351.428 0.235 0 3 FCAF COCCn1nnnc1SCC(=O)NCc1ccc2c(c1)OCO2 4883395 YKSCBRPVBOITJO-UHFFFAOYSA-N 351.388 0.457 0 3 FCAF COc1ccc(/C=C2\N=C3NC(=O)C(N4CCCCC4)=C(N)N3C2=O)cc1 1649829 FYLMTQNHJHEYSI-KAMYIIQDSA-N 367.409 0.978 0 1 FCAF C/C=C1\C(=O)O[C@@H]2CCN3CC[C@@H](COC(=O)[C@](C)(O)[C@H](C)[C@@H]1O)[C@H]23 16930731 FAFYHPIEFKLDSP-SRZSLDCTSA-N 353.415 0.244 0 1 FCAF CC(C)C[C@H](NP(=O)(O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)O 29344530 XHDKBRXIGMXIDI-QWHCGFSZSA-N 358.331 0.896 0 1 FCAF O=C(O)C1=C(NC(=O)[C@H](O)Cc2nc(-c3ccc(O)cn3)no2)CCCC1 34853418 CZFNZXDSUAWMJO-CYBMUJFWSA-N 374.353 0.770 0 1 FCAF O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc([C@@H](O)CO)nc4)ccc3N12 95582818 RXTMGWCICXHEKG-ZOBUZTSGSA-N 358.350 0.853 0 1 FCAF C[C@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]1CC[C@@H]4C[C@]1(C[C@]4(O)CO)[C@@H](C(=O)O)[C@@H]32 95635847 PXILXJZAZQLESA-ANQVHEIFSA-N 366.410 0.303 0 1 FCAF in-vitro COCCNC(=O)C[C@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 95903456 VDLCDRUTPXRABM-PMPSAXMXSA-N 369.462 0.456 0 1 FCAF O=C(NC1CCCC1)N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@H]1CO 95903469 XTCBEEUCKKSLMA-OAGGEKHMSA-N 367.446 0.162 0 1 FCAF Cn1c(CC(=O)N2CCc3c(O)cccc32)nc(N2CCOCC2)cc1=O 115072532 HUUABEHPHBBJBG-UHFFFAOYSA-N 370.409 0.454 0 1 FCAF CN(Cc1nc2ccc(-n3cnnn3)cc2[nH]1)S(=O)(=O)c1cccnc1 586929231 UIYJROWWXSVARH-UHFFFAOYSA-N 370.398 0.754 0 1 FCAF Oc1ncc(F)c(=NC[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)[nH]1 1857761743 PWCGLLIYKSTHBV-OAHLLOKOSA-N 366.303 0.613 0 1 FCAF COCCc1nccc(C[C@@H]2[C@H](NC3CCOCC3)C[C@H](O)[C@H]2CO)n1 2356288787 LAZUPRQMZMEZJY-FJIDUMEYSA-N 365.474 0.335 0 1 FCAF CNC(=O)CN(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 7097054 PWODCKCFRZZGRN-UHFFFAOYSA-N 352.347 0.022 0 1 FCAF biogenic NC[C@H]1CC[C@H]2CN(c3cc(N)n4nc(-c5ccco5)nc4n3)CCN2C1 13585775 JXXCDQGHOXYUBX-OLZOCXBDSA-N 368.445 0.826 0 1 FCAF Cc1ccc(C(=O)NCCC(O)(P(=O)(O)O)P(=O)(O)O)cc1 28472530 FNZGXDCHQWDOEV-UHFFFAOYSA-N 353.204 0.116 0 1 FCAF COC(=O)Cn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@@H](C)CN2 82211268 METSSWGXRDJAJM-VIFPVBQESA-N 350.400 0.843 0 1 FCAF COC(=O)CNC(=O)c1ncc(-c2cccc(-c3nn[nH]n3)c2)cc1O 117534903 YSPBNSRKQJFWJL-UHFFFAOYSA-N 354.326 0.537 0 1 FCAF C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCN=c3ccccn3C)C[C@H]12 377591693 BTSKPASWFNDISM-MISXGVKJSA-N 363.439 0.567 0 1 FCAF COCC(=O)NC[C@@H]1COCc2nc3cc(S(C)(=O)=O)ccc3n21 2356317723 NHGTXZKSJFSCFR-SNVBAGLBSA-N 353.400 0.274 0 1 FCAF CNC(=O)[C@H](c1ccc(OC)cc1)N1CCC[C@H]1C(=O)N1CCOCC1 2356407641 GZOQHJSCUWHXNF-IRXDYDNUSA-N 361.442 0.806 0 1 FCAF CO[C@H](C=C1NC(=N)NC1=O)CNC(=O)c1cc(Br)c[nH]1 2356510553 DHVHCVPLBFBHND-SSDOTTSWSA-N 356.180 0.060 0 1 FCAF COc1ccc(-n2c(=O)cnc3cnc(N4CCN(C)CC4)nc32)cc1 4238912 KZCPDXZLFPOQIK-UHFFFAOYSA-N 352.398 0.936 0 1 FCAF CCOC(=S)NCc1ccc(O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)cc1 6385458 JOSHUAQJVMGTGS-BGJHODNPSA-N 357.428 0.304 0 1 FCAF in-man COc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1N1CCN(C)CC1 13782738 WPXAKOKXJWQZFU-UHFFFAOYSA-N 365.459 0.981 0 1 FCAF CC(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C1C(=O)NC(=O)NC1=O 27092085 ILVROMKHQNBDAS-UHFFFAOYSA-N 350.247 0.060 0 1 FCAF CCOC(=O)CN1CCN(c2ncc(C)c(NCC(=O)OC)n2)CC1 82203862 GHFAVWAKEFSUAK-UHFFFAOYSA-N 351.407 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358.442 0.240 0 1 FCAF O=C(O)c1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccncc3)[C@@H]2O)cc1 2356605792 RPMUFUKSGALZGZ-BRWVUGGUSA-N 371.393 0.428 0 1 FCAF COc1cc(C(=O)OC2C[C@H]3[C@H](O)[C@@H](O)[C@@H](C2)N3C)cc(OC)c1OC 14590336 ODLKQKRWQCAWJW-MAQXHSOZSA-N 367.398 0.436 0 1 FCAF biogenic CS(=O)(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)C1CC1)C2 95794561 XZUJYFQMHCNLNN-CABCVRRESA-N 350.440 0.397 0 1 FCAF CC1(C)C(=O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@@H](O)[C@@]3(CC(=O)[C@@]21O)C[C@@]4(C)O 238759557 ZUTOROLSTKASIN-BOUZPPAMSA-N 366.454 0.585 0 1 FCAF OC[C@H](O)[C@@H](O)c1nc2c(I)cnc(Cl)c2[nH]1 586893227 WUUKFTVBQLVDFB-MHTLYPKNSA-N 369.546 0.603 0 1 FCAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(O)nc(O)nc3[nH]2)s1 587023800 JGRXZZXHJKLEMV-UHFFFAOYSA-N 365.375 1.553 0 1 FCAF C[C@H](C(=O)NCCN1CCOCC1)n1c2ccccc2c2cn[nH]c(=O)c21 20416426 NSQIXYJOURYBJQ-CYBMUJFWSA-N 369.425 0.887 0 1 FCAF CC[C@@H]1C(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)N(C)CC(=O)O 27629933 DKQIVUKDLNNDLA-GXTWGEPZSA-N 368.411 0.464 0 1 FCAF 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CC[C@@H](C)[C@H](NC(=O)[C@H]1O[C@@H]1NCC(C)C)C(=O)N1CCC[C@@H]1C(=O)O 169687104 OCZXKCAOQZRBLU-SSZWKKLZSA-N 369.462 0.563 0 1 FCAF Cc1cc(Cl)cc2c(N3CCOCC3)c([C@@H](O)[C@H](O)[C@H](O)CO)[nH]c12 587627312 SDTUFLVSOYQCGO-CSMYWGQOSA-N 370.833 0.714 0 1 FCAF NCCCCCCNC(=O)Nc1cc(N2CCCCC2)nc(N)[n+]1[O-] 653706351 VFUXZZSUIQDJME-UHFFFAOYSA-N 351.455 0.928 0 1 FCAF NCc1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)NCc2cccnc2)nn1 2356814321 CACLFKXBXQQYEN-HYVNUMGLSA-N 355.446 0.159 0 1 FCAF CN1CCn2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2C1=O 61921835 HGHJCYGNJPEWPI-UHFFFAOYSA-N 363.418 0.662 0 3 FCAF O=C(O)C[C@@H]1CCN(C(=O)c2ccno2)C[C@@H]1CCN1CCOCC1 12481236 CQTQZJRWBYTOCJ-KBPBESRZSA-N 351.403 0.950 0 1 FCAF biogenic CC(C)[C@H](C(=O)O)N1C(=O)[C@@H](NC(=O)COc2ccccc2)C[S@@]1=O 26250318 HLGQZFUFTPQUJA-UCSSDQKISA-N 368.411 0.165 0 1 FCAF CCNc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(O)O[C@H]2[C@H]1O 169325569 JISCVEUWISMHOR-WOUKDFQISA-N 357.263 0.032 0 1 FCAF CSC[C@@H]1NC(=O)[C@H]2[C@H](C)[C@@H](C(=O)N=c3cc[nH]cc3)S[C@H]2N1 618014480 RATJZGYBQMMOFG-XHVYQMTJSA-N 352.485 0.544 0 1 FCAF C[C@@]12CC(=O)[C@@]3(O)[C@@](O)(CC[C@H]4C(=O)c5c(O)cccc5[C@H](O)[C@]43O1)C2 2356479696 ZXJRSMKDYMUFOX-UBIQFLCHSA-N 360.362 0.385 0 1 FCAF Cc1cn([C@H]2C[C@H](n3cc(-c4ccccn4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O 5930520 KEBQIHFEQIBHOQ-RRFJBIMHSA-N 370.369 0.020 0 1 FCAF O=C(O)[C@H]1O[C@@H](ONc2ccc(-c3ccccc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O 6116731 UMRVFYHUKNMTTC-RPUYLAQPSA-N 361.350 0.589 0 1 FCAF in-vitro COc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](CC(=O)O)O[C@H]2CO)cc1 95793908 CKPAPQIIXSLJFJ-XBFCOCLRSA-N 357.384 0.133 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc(Cl)cc2[nH]1)C(=O)O 587218333 IEUYUWLRYSDRJP-PSASIEDQSA-N 368.777 0.520 0 1 FCAF CN(CCc1ccccn1)C[C@@H]1CN2CC[C@H]1C[C@H]2CNS(C)(=O)=O 2356732725 REKUEHZQZFHBLM-JZXOWHBKSA-N 366.531 0.816 0 1 FCAF CC(=O)Nc1ccn([C@@H]2CO[C@H](COC(=O)c3ccccc3)O2)c(=O)n1 21982697 BAODLFFHZLIRKZ-GJZGRUSLSA-N 359.338 0.930 0 1 FCAF CC(=O)OCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 82196316 LCMYTFZAYSZZGM-UHFFFAOYSA-N 370.365 0.969 0 1 FCAF CC(=O)N1[C@@H]2c3cccc(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCCCC1 95880581 FKIDDDUSUBVZFQ-VVWQDTPRSA-N 373.453 0.807 0 1 FCAF C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@H]3C(=O)O[C@]4(C(=O)O5)[C@]21O 101075358 LYDSQQARURFTGF-FRHCTEHXSA-N 350.367 0.572 0 1 FCAF CC(C)CS(=O)(=O)N1N=Cc2sc(Br)cc2B1O 195302883 IFBLMUUGNXAPPH-UHFFFAOYSA-N 351.056 0.833 0 1 FCAF CCOC(=O)C1CCN(C(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)CC1 195490487 TZFKMLCBTWURFJ-SRABZTEZSA-N 374.437 0.985 0 1 FCAF N[C@@H](CP(=O)(O)O)c1nc2cc(I)cnc2[nH]1 586921354 DHGYMEJDRLYTRZ-YFKPBYRVSA-N 368.071 0.740 0 1 FCAF COc1cc(C=CC(=O)O[C@H]2C[C@@]3(O)C[C@@H](OC3=O)[C@@H]2O)ccc1O 2356308623 KFVJGWDDYWUTHM-TZDHZFECSA-N 350.323 0.137 0 1 FCAF COC(=O)CO[C@@H]1CO[C@@H]2[C@H](NC(=O)c3ccc(N(C)C)cc3)CO[C@@H]12 2356850888 QBKFOSCBVXIAOL-SRABZTEZSA-N 364.398 0.207 0 1 FCAF COC(=O)[C@@H]1[C@H]2CC(=O)N3c4ccccc4[C@]4(O)CCN(C[C@@H]2[C@@H](C)O)[C@@]134 2356854448 ROVYMJJZGIUTJU-HMNOPXPRSA-N 372.421 0.443 0 1 FCAF CC1(C)[C@H](C(=O)O)N2C(=O)[C@@]3(C[C@H]3OC3CCCCC3)[C@H]2S1(=O)=O 13521685 KBFIEDQJOLWBJX-KTMIJUKYSA-N 357.428 0.923 0 1 FCAF Nc1nc(N2CCN3C[C@@H](CO)CC[C@H]3C2)nc2nc(-c3ccco3)nn12 13585791 ZKFSWKJIUQZEKQ-RYUDHWBXSA-N 370.417 0.254 0 1 FCAF COC(=O)Cn1c(=O)c(NC(C)=O)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205556 QZKMMPIZPGOGID-ZDUSSCGKSA-N 372.381 0.178 0 1 FCAF C/C=C1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 141702425 BCJMNZRQJAVDLD-QQHREOSQSA-N 351.399 0.165 0 1 FCAF Cc1ncc([C@H](CNC(=O)[C@@H]2COc3ncccc32)N2CCOCC2)cn1 205617047 VUNGWDMBWWWJRH-SJORKVTESA-N 369.425 0.846 0 1 FCAF CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@H]2CC=C(C)[C@@H]1C2(C)C 238765985 RVMGGXLVAQJVDV-YIHXMNRVSA-N 356.415 0.365 0 1 FCAF O=C1N[C@H](CN2CCNC(=O)[C@@H]2c2cccs2)N[C@@H]2CCS[C@H]12 618012053 LZLATQAYSYLNEI-XEZLXBQYSA-N 352.485 0.141 0 1 FCAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC2CCCC2)[C@@H](O)[C@H]1O 1772581038 CXQUQMCSPKYDHP-YRGUDCOPSA-N 362.434 0.325 0 1 FCAF NC(=O)c1cccc2[nH]c(C(=O)NC3CCN(C4CCNCC4)CC3)nc12 1772651207 XZOUPTJQVHVAQV-UHFFFAOYSA-N 370.457 0.608 0 1 FCAF O=C1CCc2c(cccc2N2CCN(C[C@@H](O)Cn3cnnc3)CC2)N1 1857557263 DVWCINXGUIXTHS-CQSZACIVSA-N 356.430 0.346 0 1 FCAF COc1ccc([C@]23O[C@@H]4[C@H]2O[C@@](OC)([C@@H]3O)[C@]4(O)c2ccc(O)cc2)cc1 2356425354 KLNCHNDOLGSXFV-MUJBESKKSA-N 372.373 0.999 0 1 FCAF CNC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1C(=O)N1CCN(C(C)=O)CC1 2356629020 OQXCBUIJKDAHMN-MSOLQXFVSA-N 372.469 0.629 0 1 FCAF COc1cccc2c1N[C@@]13CC[C@@]45C=CCN6[C@H]7O[C@H]4[C@@]1(O)C(=O)[C@H]7[C@@]23[C@H]65 2356784841 QIOCCGNLAVFZPA-LFSIEUSLSA-N 364.401 0.800 0 1 FCAF Cc1cc(F)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c1 587218652 HTUYSEZKRRLUHZ-VHSXEESVSA-N 366.349 0.835 0 1 FCAF Cc1ccc(C)c2[nH]c(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)nc12 587220090 MOGXPPVOLAXMEK-GHMZBOCLSA-N 362.386 0.484 0 1 FCAF CCO[C@@H]1O[C@H](COC(=O)C=Cc2ccc(O)c(OC)c2)[C@@H](O)[C@@H]1O 2356413665 HTLKTNFLIXKECI-MXASKKJJSA-N 354.355 0.440 0 1 FCAF CC(=O)CCC1=C(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C 59586861 BJFKUIUNGGPCAB-DOETWJALSA-N 372.458 0.677 0 1 FCAF biogenic,in-vitro Cc1ccc(O[C@@H]2C=C(C(=O)N[C@@H]3CCCNC3=O)C[C@H](O)[C@H]2O)cc1C 2356322397 AFZGDKBKTWVBCN-XMTFNYHQSA-N 374.437 0.498 0 1 FCAF N[C@@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CCC4)c3c2Cl)C1 28884344 IZZKSJDOPSJLBB-MRVPVSSYSA-N 367.812 0.932 0 1 FCAF CC(C)NC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)CN(C)C 95895040 NVPQDCKCIXYJGR-XYJFISCASA-N 362.474 0.611 0 1 FCAF CC(=O)NCCCC[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)O 95920959 VCECDMBCQWWZKG-HNNXBMFYSA-N 363.414 0.221 0 1 FCAF in-vitro CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccc(F)cc2)[nH]c1=O 102971585 SNILWDIEKARQSB-SFGFDRCGSA-N 354.385 0.881 0 1 FCAF CC[C@]1(O)C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 238756661 QZJRTVIGIAAJPX-OFTPVTLVSA-N 353.415 0.388 0 1 FCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@@H](O)[C@H](O)CO)N1 587829787 RDYGSNMRYVVLSB-RNECFURXSA-N 364.211 0.239 0 1 FCAF C[C@H](NC(=N)N)C(=O)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 653722059 WEZGWPPVFSQYBN-LBPRGKRZSA-N 365.393 0.880 0 1 FCAF O=S(=O)(NC[C@@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O)c1ccccc1 2356292565 UDFXVZXPZSIPGP-IKGGRYGDSA-N 363.439 0.278 0 1 FCAF COc1ccc2c3c1O[C@H]1[C@H](O)C(CO)(CO)C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 27762868 DCBREGZSTFFXBU-HYRIIXRYSA-N 361.438 0.306 0 1 FCAF CNS(=O)(=O)N1CCC(c2nc3c(S)nc(S)nc3[nH]2)CC1 586956158 XBFODBUVIHSMJA-UHFFFAOYSA-N 360.490 0.574 0 1 FCAF CC(C)C[C@H](N)c1cn([C@@H](CCCCN)C(=O)N2CCNCC2)nn1 13478145 BOKILWHBJPPBEM-HOCLYGCPSA-N 351.499 0.426 0 3 FCAF Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl 13520184 CYGCWJCVIJAEOL-UHFFFAOYSA-N 369.837 0.222 0 1 FCAF C[C@H](C(=O)Nc1ccccc1C(N)=O)n1c(=O)[nH]c2ccccc2c1=O 24984467 LFDMFBXJJCLBJT-SNVBAGLBSA-N 352.350 0.988 0 1 FCAF biogenic CC(C)NC(=O)N1CCNC[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O 25427997 PYTAXCIWZXVYOI-GJZGRUSLSA-N 367.494 0.319 0 1 FCAF biogenic C[C@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(CCN)c(=O)n21 82211869 YDWIAFBIHANABB-JTQLQIEISA-N 359.386 0.266 0 1 FCAF CS(=O)(=O)Nc1nc2ccc(-c3cncc(S(C)(=O)=O)c3)cn2n1 84669281 KKZSHXXEUQAQKA-UHFFFAOYSA-N 367.412 0.566 0 1 FCAF C=C(NC(C)=O)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587203424 OBXMOTICERZVTK-UHFFFAOYSA-N 357.414 0.420 0 1 FCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(F)cc2[nH]1 587217937 DJSNUBWTNNWVAA-PSASIEDQSA-N 352.322 0.526 0 1 FCAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H](O)[C@H](O)CO)N1 587834895 UJWHGAUUAGNGBG-LTJWGIFWSA-N 364.211 0.239 0 1 FCAF C[C@]12CC[C@@H](O)[C@](C)(CO)[C@H]1CCC(=O)[C@H]2CC=C1C(=O)OC[C@H]1O 2356310941 WVRSQUAZLPYGMN-PNIXZDTESA-N 352.427 0.976 0 1 FCAF Cc1ccc2c(c1)[C@H]1CC(=O)N(CCN3CCOCC3)C(=O)C1=C(N)O2 206391295 WNLHQPCMLYQRCH-CQSZACIVSA-N 357.410 0.732 0 3 FCAF COC(=O)C1CC(=O)C(CC2=C(O)C[C@H](C(=O)OC)CC2=O)C(=O)C1 3843490 XLMAWMBPRLOWSA-KYHHOPLUSA-N 352.339 0.678 0 1 FCAF biogenic CC(C)[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1 14951857 HFUIGTYWXUTFNQ-WMZOPIPTSA-N 374.485 0.436 0 1 FCAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CCN)CC3)cc21 27317911 IGDMJKDTMJLSLX-UHFFFAOYSA-N 362.405 0.939 0 1 FCAF COc1cc2c(cn1)CN(C[C@@]1(c3ccc(F)cc3)NC(=O)NC1=O)C2=O 49113226 IVWBDVJIUHIJFU-SFHVURJKSA-N 370.340 0.920 0 1 FCAF O=C(Cc1nc(=O)cc(N2CCOCC2)[nH]1)N1CCc2c(F)cccc21 68248348 NNXWAJVWAVPAPZ-UHFFFAOYSA-N 358.373 0.877 0 1 FCAF CCNc1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C(F)(F)F 73221038 FDJDWVSCQXYPHL-UHFFFAOYSA-N 366.321 0.644 0 1 FCAF O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1OC/C=C/Cc1ccccc1 105520005 PXOKGKRKJRGYOJ-HDYRHIKSSA-N 374.393 0.355 0 1 FCAF N[C@H](CC(=O)N1C[C@@H]2CNC(=O)C[C@@H]2C1)Cc1cc(F)c(F)cc1F 299869996 HAZZFWDTWPHGPG-WOPDTQHZSA-N 355.360 0.958 0 1 FCAF in-vivo C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCc1cccnc1 618012360 DCMWSQVQQUSBBZ-DHSIGJKJSA-N 353.426 0.948 0 1 FCAF CN1CCN(S(=O)(=O)c2cccc(-c3ccn(CC(=O)O)n3)c2)CC1 957921590 DMVXGCDVKJVYJA-UHFFFAOYSA-N 364.427 0.571 0 1 FCAF NC(=O)N[C@H]1[C@H](C(N)=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 1625718 BLYMWRSCLIWUIL-DOTOQJQBSA-N 367.409 0.973 0 1 FCAF CCO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(COC(C)=O)C[S@@](=O)[C@H]12 26502930 PYNKEFBHUGFOQE-YSDYUQAISA-N 373.427 0.481 0 1 FCAF CC(=O)C[C@]1(O)C(=O)c2c(O)cc(CO)cc2O[C@@]1(C)[C@@H]1CCC(=O)O1 40973811 HOIRMAMFSJXDHK-KKXDTOCCSA-N 364.350 0.634 0 1 FCAF biogenic Nc1ncnc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc12 587135429 AFVQVWLYWKUGEB-UHFFFAOYSA-N 358.305 0.831 0 1 FCAF CC(=O)NCC1(COc2ccc(S(C)(=O)=O)cc2)C[C@@H](O)[C@H](O)C1 2356298683 SVFTZLJXELOSNR-HUUCEWRRSA-N 357.428 0.107 0 1 FCAF CO[C@]12C[C@@H]3[C@@H](NC(=O)c4ccc(Br)n43)[C@@H]1NC(=O)N2C 2356700087 UWPJTBJKXNLTOH-SQFXPHBZSA-N 355.192 0.674 0 1 FCAF O=C(O)C[C@@H]1NC(=O)[C@H]2C[C@@H](NC(=O)C3CCCCC3)CCN2C1=O 2356850912 QBTRKCHEQGDOPX-RWMBFGLXSA-N 351.403 0.016 0 1 FCAF Cn1c(=O)n(CC[C@]2(O)C(=O)Nc3ccccc32)c(=O)c2ccccc21 14884788 FBBSGIRWWJHAEU-LJQANCHMSA-N 351.362 0.930 0 1 FCAF biogenic C[C@H]1Nc2cc(C(F)(F)F)c(S(N)(=O)=O)cc2S(=O)(=O)N1C 29051344 JLSVRQMZFTXIBX-YFKPBYRVSA-N 359.351 0.745 0 1 FCAF CCOC(=O)O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34 169344453 VGVRMQIJEPJUKU-OLZWRCARSA-N 352.431 0.994 0 1 FCAF CC(C)[C@@H]1C[C@](O)([C@H](C)O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 238757881 QFUAXLZCUKBODH-VGXVWSLXSA-N 353.415 0.244 0 1 FCAF OC[C@H](O)[C@H](O)c1nc2c(I)cnc(Cl)c2[nH]1 586893226 WUUKFTVBQLVDFB-FFWSUHOLSA-N 369.546 0.603 0 1 FCAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cncnc3[nH]2)[C@@H](C)O)cc1 586935050 JGVINGDTEJJCRS-RNCFNFMXSA-N 363.399 0.762 0 1 FCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCCCC3)[C@@H](O)[C@H]2O1)N1CCOCC1 2356318753 VIXRDHONYHPAKS-APWQULEDSA-N 368.474 0.443 0 1 FCAF CC(C)NC(=O)NC[C@@H]1O[C@H](CO)[C@H](O)[C@H]1N1CCc2ccccc2C1 2356814887 CMEGKMVJFYYVAW-MHORFTMASA-N 363.458 0.242 0 1 FCAF Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)c1c(F)c(F)cc(F)c1F 13561059 QGSOGWMSZGIIKI-CXUHLZMHSA-N 370.309 0.427 0 1 FCAF CC(=O)c1nnn(-c2ccc(F)cc2)c1N[C@H]1CS(=O)(=O)C[C@H]1O 20444148 CJJRONHUWCLPJG-NWDGAFQWSA-N 354.363 0.179 0 1 FCAF CC[C@H]1C(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)OCC(=O)O 27631177 FJUAITMXDTYKCB-YPMHNXCESA-N 355.368 0.549 0 1 FCAF CS(=O)(=O)Nn1c(=O)[nH]c2cc(CCc3ccccc3)ccc2c1=O 71331993 PTAXCVAYCAUXIU-UHFFFAOYSA-N 359.407 0.978 0 1 FCAF CCC(=O)N1[C@@H]2Cn3c(cccc3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO 95880502 YCHBVJNGPBPCJP-MDUILUSMSA-N 373.453 0.761 0 1 FCAF CCOC(=O)c1cn(C[C@H](O)Cn2cncn2)c2c(F)cccc2c1=O 96909045 HAJDKOKLABZNDY-NSHDSACASA-N 360.345 0.970 0 1 FCAF O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NC[C@@H]1COc2ccccc2O1 100506339 HLMZWNBZCZZZRY-AFSSITGASA-N 368.389 0.750 0 1 FCAF N[C@H](C(=O)O)[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O 1772650002 PDTYFUFTPPYALH-KBPBESRZSA-N 364.379 0.497 0 1 FCAF CO[C@]12OCC(=C3C(=O)N(C)CC[C@]3(C)C(=O)CCCC[C@@H]1O)[C@@H]2O 1857742451 LVABTOBIKISQNT-PLYYQAHHSA-N 353.415 0.389 0 1 FCAF CC(C)NC(=O)N[C@@H]1C[C@@H]2C(=O)N[C@@H](Cc3cccs3)C(=O)N2C1 2356321859 ZXDSJJAOSMDKCT-KGYLQXTDSA-N 350.444 0.466 0 1 FCAF O=C(CC[C@@H]1CNC(=O)[C@H]2C[C@H](NCc3ccc(F)cc3)CN12)NC1CC1 2356826305 HIMCTDNIYDGQLG-RCCFBDPRSA-N 374.460 0.915 0 1 FCAF COc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)C2CC2)cc1 61905520 NCFXPRKPQIJUIQ-MRXNPFEDSA-N 352.412 0.901 0 3 FCAF COCC(=O)N1[C@H](CNC(=O)c2ccccn2)[C@@H](c2ccccc2)[C@@H]1CO 95894985 GTTXVUOBMUATPQ-ZIFCJYIRSA-N 369.421 0.813 0 1 FCAF O=C1NC(c2ccccc2)=N[C@H]2C1=C1CCCN1[C@]2(O)N1CCOCC1 103200876 RACUMTXUEMARBX-QFBILLFUSA-N 354.410 0.273 0 1 FCAF CN1CCN(c2ccc3nc(CCS(=O)(=O)N(C)C)[nH]c3c2)CC1 586931832 LPVZLSPKXBZLID-UHFFFAOYSA-N 351.476 0.749 0 1 FCAF O=S(=O)(NCc1nc2c(O)ncnc2[nH]1)c1ccc(F)c(F)c1F 587135636 KXDNWORLKMMEEM-UHFFFAOYSA-N 359.289 0.954 0 1 FCAF O=C(O)c1nn(Cc2nc3ncc[nH]c-3n2)cc1I 587186152 SLQUUCXYJBWDMV-UHFFFAOYSA-N 370.110 0.852 0 1 FCAF CCCCN[C@@H]1N[C@@H]2[C@H](C(=O)NC(=O)N2C)N1CC(=O)c1ccc(C)cc1 618016451 DNNXVTWYCOBNJF-SOLBZPMBSA-N 373.457 0.633 0 1 FCAF O=C(NCC1(COc2cccnc2)C[C@H](O)[C@@H](O)C1)N1CCOCC1 2356687083 CUFACYWEJYRFLD-GJZGRUSLSA-N 351.403 0.004 0 1 FCAF CC(=O)O[C@H]1[C@@H]2OC(=O)C(C)=C2[C@@H]2OC(=O)[C@]3(CC[C@@H]4O[C@@]41C)O[C@H]23 169301743 BTFYCCJHXMPDKJ-CBTYMHMBSA-N 350.323 0.174 0 3 FCAF O=C(O[C@@H](C(=O)O)[C@@H](O)C(=O)O)c1cccn1Cc1ccc(F)cc1 64448615 IPCBESJUUJLJJH-CHWSQXEVSA-N 351.286 0.731 0 1 FCAF Cc1c(Cl)cc(S(=O)(=O)O)cc1NC(=S)NC[C@H](N)C(=O)O 149294595 BMDDBSBTYSNYKK-QMMMGPOBSA-N 367.836 0.593 0 1 FCAF CCS(=O)(=O)N1CCC2(CC1)CC[C@]1(C(=O)N(C)C)CN(C)C[C@@H]21 299842189 LCKLEUQICUGHRE-YOEHRIQHSA-N 357.520 0.848 0 1 FCAF CNS(=O)(=O)c1cc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)n(C)c1 586947652 YDLJTHCEWIUVLM-UHFFFAOYSA-N 370.412 0.723 0 1 FCAF COc1cccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 587220187 NBLIXZKDPDVHMB-WPRPVWTQSA-N 364.358 0.396 0 1 FCAF CN(c1nc(Nc2cnn(C)c2)ncc1Cl)[C@@H]1CO[C@H]2[C@H]1OC[C@H]2O 1772600593 LKCAFNLYMQVQAH-FVCCEPFGSA-N 366.809 0.570 0 1 FCAF O=C(NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 1857555246 PJWVRKFXHQXQAC-HLIPFELVSA-N 370.405 0.337 0 1 FCAF COCCN1C[C@@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCN2C1=O 2356287883 REUPOWGPPJRQPU-HNNXBMFYSA-N 367.471 0.658 0 1 FCAF O=C(NCC1(COc2cnccn2)C[C@@H](O)[C@H](O)C1)Nc1cccnc1 2356312231 KIAVVVWVZYQQQM-ZIAGYGMSSA-N 359.386 0.574 0 1 FCAF COCC(=O)N[C@@H]1C[C@H]2C(=O)Nc3ccc(C=CC(=O)O)cc3C(=O)N2C1 2356855724 RSNGAXZABSPYQT-RISCZKNCSA-N 373.365 0.082 0 1 FCAF O=C(O)Cn1nc2n(Cc3ccccc3)c3ccccc3n2c(=O)c1=O 13470502 UYKLQQWWOWXMFD-UHFFFAOYSA-N 350.334 0.944 0 1 FCAF CS[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](NC(=O)c2ccc3ccccc3c2)[C@H]1O 40527545 HYWXGAWINOSGGV-CWIFOLKKSA-N 363.435 0.740 0 1 FCAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)NCc1ccc2c(c1)OCO2 195378104 GEBVUAMEWLBPIB-SKNMWMDOSA-N 354.362 0.839 0 1 FCAF Nc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cn1 586941096 FNDMVFSDEHVOJT-UHFFFAOYSA-N 361.383 0.790 0 1 FCAF CC(C)c1oc(=O)cc2c1[C@H](O)[C@@H]1OC(=O)[C@]3(C)CC(=O)[C@H](O)[C@@]2(C)[C@H]13 2356333224 OUQLGYGAHNHJTB-JGWODIKPSA-N 362.378 0.950 0 1 FCAF Cc1cc(C)n([C@@H]2[C@H]3OC[C@@H](O3)[C@@H](NC(=O)Nc3cccnc3)[C@@H]2O)n1 2356589342 FIUVBPQZEMVOEB-OWYFMNJBSA-N 359.386 0.742 0 1 FCAF O=C1C[C@H](CCCO)C[C@@H]2[C@@H]3CCCN4CCC[C@H]([C@@H]34)[C@H](C(O)O)N12 2356637245 MJPMVDBGPHPOQH-CNVOCDGBSA-N 352.475 0.550 0 1 FCAF COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)OC)O[C@@H](CO)[C@@H]1O2 61921789 UQOQCOXZGHGBJV-MTKHPJAWSA-N 365.382 0.829 0 3 FCAF Nc1nc2c(ncn2CCO[C@@H](c2ccccc2)P(=O)(O)O)c(=O)[nH]1 1633697 OISPJFGZCCKKTI-CYBMUJFWSA-N 365.286 0.595 0 1 FCAF Nc1nc(N)c2nc(CN3CCN(Cc4ccccc4)CC3)nnc2n1 22445358 IDGWYMMARYUEBB-UHFFFAOYSA-N 351.418 0.297 0 1 FCAF CC(C)[C@@H](C(=O)O)N1C(=O)[C@@H](NC(=O)COc2ccccc2)C[S@]1=O 26186103 HLGQZFUFTPQUJA-CAVMCXFUSA-N 368.411 0.165 0 1 FCAF NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)cc1 29475167 KGZKMGVEEAIXLC-AWEZNQCLSA-N 364.379 0.465 0 1 FCAF CC[C@@H](C(N)=O)N1C[C@H](COS(=O)(=O)c2ccc(C)cc2)CC1=O 38463399 MPRPZCNJUPQRGV-OCCSQVGLSA-N 354.428 0.813 0 1 FCAF O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc([C@H](O)CO)nc4)ccc3N12 95582817 RXTMGWCICXHEKG-UXLLHSPISA-N 358.350 0.853 0 1 FCAF CN1C(=O)[C@]2(c3ccccc31)[C@H]1C[C@@H]3[C@@H](CO1)[C@@H]1[C@@H]2[C@@]3(CO)CN1C#N 195502612 PFHIZEOQCBBUAK-JCZHBVPESA-N 351.406 0.709 0 1 FCAF COC(=O)[C@@]12COC[C@@H](C[C@@]3(C1)Oc1cc(OC)cc4c1C(=O)[C@H]3C4)N2 587437856 ARTISBLIGHYZAR-CLWWGOANSA-N 359.378 0.875 0 1 FCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H](O)[C@@H](O)CO)N1 587832654 KKCNIAANMVBZRX-DQRILILZSA-N 364.211 0.024 0 1 FCAF CCOc1c(OC)cc2c(c1OCC)C(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](O)C[C@H]21 1857573640 PJLWGUSLESAWJV-KKGDDVQDSA-N 367.398 0.175 0 1 FCAF COCC1=C2C(=C[C@@]3(C)CC[C@@](O)(O3)[C@@](C)(O)C[C@@H]2OC(C)=O)OC1=O 2356415558 OPAWQGXUUDQIPB-HNONPPJISA-N 368.382 0.714 0 1 FCAF CC(C)NC[C@@H]1O[C@H](Cc2cc(CN3CCOCC3)on2)CC[C@H]1O 2356612145 VIQGCOOZUYJDBX-JQHSSLGASA-N 353.463 0.956 0 1 FCAF NCc1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)NCc2ccc(F)cc2)nn1 2356862156 UXIIUROJLKAMMG-FHLIZLRMSA-N 372.448 0.903 0 1 FCAF CC(C)=CCc1cc(C(=O)O)ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14489231 ZTHSABILDCCHJR-JLOCXQCDSA-N 368.382 0.072 0 1 FCAF endogenous,in-man OC[C@H]1O[C@H](n2ncc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 48998573 JCFOJPMXEBKNPQ-WBOJAVRRSA-N 357.370 0.050 0 1 FCAF NC(=O)c1cc(C(N)=O)c2cc(I)c(N)cc2n1 73198259 ALGMCZXWZVNYPX-UHFFFAOYSA-N 356.123 0.619 0 1 FCAF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC/C=C\CCOc1cc(F)ccc1F 95557162 GVLOFQNHTJNYKR-WSWMULIRSA-N 373.396 0.439 0 1 FCAF O=c1c2ncn([C@H]3CO[C@@H](CO)O3)c2nc2[nH]c(-c3ccsc3)cn12 101886409 MVRQDJHCXDXWSY-GHMZBOCLSA-N 359.367 0.965 0 1 FCAF CCN(CC)C(=O)n1cnc(S(=O)(=O)[C@@H](CC2CC2)C(=O)OC)n1 103187378 IJHKUBJCKQTDOL-NSHDSACASA-N 358.420 0.703 0 1 FCAF CC(C)N1CCN(C(=O)O[C@H]2CCN(c3ccc(C(N)=O)cn3)C2)CC1 218463095 ROBUWIDDCQCINW-HNNXBMFYSA-N 361.446 0.922 0 1 FCAF O=C(N[C@@H](CO)C(F)(F)F)c1nn(-c2c[n+]([O-])ccn2)c2c1C[C@@H]1C[C@H]21 1857750018 OEYJHFKEPKPMGP-NRPADANISA-N 369.303 0.213 0 1 FCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3CCCCC3)[C@@H](O)[C@H]2O1 2356292809 AJINBYNQJFUZDA-DTJSUFBGSA-N 356.463 0.347 0 1 FCAF COCCNC(=O)Cn1cnc2c(cnn2-c2ccc(OC)cc2)c1=O 4898869 XMSMGRIHDDDQOO-UHFFFAOYSA-N 357.370 0.353 0 3 FCAF C=C[C@]1(C)C=C2[C@H](O)[C@@]3(O)OC[C@@]4(CCCC(C)(C)[C@@]43O)[C@@]2(O)[C@H](O)C1 15167035 NKAJJQQELXJQCL-UOBXGPKCSA-N 366.454 0.622 0 1 FCAF biogenic O=C(O)CCCN1C(=O)C[C@]2(CC(CCC3CCNCC3)=NO2)C1=O 27656888 GKNLKCXTRAEDOD-QGZVFWFLSA-N 351.403 0.905 0 1 FCAF O=C(Nc1ccn([C@H]2C[C@@H](F)[C@H](O)[C@@H](CO)O2)c(=O)n1)c1ccccc1 49072201 JDMVJAAWOFCRPK-GBOPCIDUSA-N 363.345 0.474 0 1 FCAF in-vitro N[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@@H](N)Cc1ccc(O)cc1 95542364 YKYJIHKZQNFPBG-ROUUACIJSA-N 370.453 0.064 0 1 FCAF O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(CO)c1 115074291 QWFBOWSSWVRDOS-UHFFFAOYSA-N 362.361 0.419 0 1 FCAF NS(=O)(=O)Oc1ccc(Cc2ccc(OS(N)(=O)=O)cc2)cc1 141217827 WCHSSCCMVWIXSK-UHFFFAOYSA-N 358.397 0.442 0 1 FCAF O[C@@H]1[C@H](Cn2cc(-c3cccnc3)nn2)C[C@H](NC2CCOCC2)[C@H]1O 2356290109 JRIDSKJXCXCQRK-OXXUSNJHSA-N 359.430 0.219 0 1 FCAF CC=C1C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2[C@H](O)CN3CC[C@H](OC1=O)[C@H]23 2356463383 YEXVXKIMPBHRQR-KVNHNZEESA-N 353.415 0.244 0 1 FCAF CC=C1C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN3C[C@@H](OC1=O)[C@@H](O)[C@@H]23 2356559951 QBXXZMDYXQHARQ-YHUZLLMVSA-N 351.399 0.164 0 1 FCAF CN1CCN(C(=O)[C@H]2CCC[C@H](NC3CCC3)CN(C)C(=O)C2)CC1 2356741756 PPKAELXIFNYFRM-RDJZCZTQSA-N 350.507 0.920 0 1 FCAF Nc1c(C(=O)c2cccc(C(O)(CO)CO)c2)cnn1-c1ccc(F)cc1 13683098 KQHTUTITZRQSRT-UHFFFAOYSA-N 371.368 0.997 0 1 FCAF CCNC(=O)N(C)[C@H]1CCC[C@H]2C1=C(C(=O)O)N1C(=O)[C@H]([C@@H](C)O)[C@@H]21 26667201 AICXQGFITNUNGJ-VFZGUZRASA-N 351.403 0.377 0 1 FCAF C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OC)CC2)cc1 84732981 USDHUZPYPQHFDF-UHFFFAOYSA-N 353.400 0.884 0 1 FCAF CCOC(=O)c1cn(C[C@H](O)Cn2cncn2)c2ccc(F)cc2c1=O 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