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CXFZSNQZMWBVKB-RYUDHWBXSA-N 337.401 -0.525 0 1 EBAF biogenic CN(CCO)C(=O)NCCNC[C@@H](O)COc1ccc(O)cc1 26963196 IAGPJLHBLPOOGD-CYBMUJFWSA-N 327.381 -0.645 0 1 EBAF Nc1ncc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1 115821151 OHOQXZAUVZJVRL-UHFFFAOYSA-N 344.379 -0.416 0 1 EBAF CNS(=O)(=O)N1CCC(c2nc3c(O)nc(O)nc3[nH]2)CC1 586956092 UDDZFKDASQPKKJ-UHFFFAOYSA-N 328.354 -0.592 0 1 EBAF Cc1ccc(S(=O)(=O)N2CC(=O)N3CCN(CCN)[C@@H]3C2)cc1 61947650 UMSSEVUBLWQBEY-AWEZNQCLSA-N 338.433 -0.572 0 3 EBAF O=c1[nH]c(=O)n([C@H]2C[C@H](F)[C@H](COP(=O)(O)O)O2)cc1Cl 26723131 SYEIDRSIIIFBFG-LYFYHCNISA-N 344.619 -0.075 0 1 EBAF N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=COC[C@H]12)c1ccc(O)cc1 28223165 SNLISZIKEUXFCI-JLLWLGSASA-N 333.300 -0.956 0 1 EBAF O=C([C@@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1)N1CCOCC1 2356376547 UOHPYQWHMVSJQF-NWANDNLSSA-N 335.408 -0.660 0 1 EBAF NC(=O)c1nc(-c2n[nH]nc2-c2ccccc2)n(COCCO)n1 66262102 YUWFJCHEEQPQLC-UHFFFAOYSA-N 329.320 -0.205 0 1 EBAF CC1(C)C(=O)[C@@]2(CO[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)CC[C@@H]1C2 85851817 WERYFGDRRGZFRG-ZOMCCTJLSA-N 330.377 -0.802 0 1 EBAF in-man O=C(N[C@@H]1CCN2C(=O)[C@@H]3CCCN3C(=O)[C@@H]2C1)c1cnccn1 2356474563 XBHRTNZZTJGRMM-WXHSDQCUSA-N 329.360 -0.429 0 1 EBAF CC(C)(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356540394 WMOAPGQHTURTAQ-LEOABGAYSA-N 342.388 -0.080 0 1 EBAF COc1ccc(N2C(=S)N[C@@H]3[C@H](O)[C@H](O)C[C@@H](C(N)=O)[C@@H]32)cc1 2356817742 DMZWZACHNOUCFP-NAWOPXAZSA-N 337.401 -0.646 0 1 EBAF OC[C@H](O)[C@@H]1O[C@@H](Nc2ccc(Br)cc2)[C@@H](O)[C@@H]1O 3088016 DMJLINCGGJWZRU-UHFZAUJKSA-N 334.166 -0.339 0 1 EBAF O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](CO)O2)cc1OCc1ccccc1 5955939 DTSODSYNNLANCF-FPMFFAJLSA-N 334.328 -0.244 0 1 EBAF O=c1c(O)c(CCOP(=O)(O)O)ccn1CP(=O)(O)O 64746584 RMAJJEZWSTVCSS-UHFFFAOYSA-N 329.138 -0.659 0 1 EBAF in-vitro CCS(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1 95797659 QCXMJQXYMPDZII-YNEHKIRRSA-N 334.438 -0.250 0 1 EBAF COc1cc(C=CC(=O)O)ccc1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O 2356452507 SMUSRXYXHUGDLY-OSLYUKSHSA-N 340.328 -0.001 0 1 EBAF O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCCC1 218158 TWAZFLSEGJBBMP-UHFFFAOYSA-N 331.438 -0.102 0 1 EBAF CC(C)(O)C1CCC(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)CC1 14588482 IJJKRFDBPRPLQQ-GERKNZPNSA-N 334.409 -0.620 0 1 EBAF endogenous,in-man O=C1NC(=O)/C(=C/[C@@H](O)CNC(=O)c2cc(Br)c[nH]2)N1 14610472 ARVRQRRPZHARDM-WNGQPZJSSA-N 343.137 -0.409 0 1 EBAF Nc1nccc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1 98208483 IOMKKLVSDVQOGL-DJLDLDEBSA-N 330.237 -0.229 0 1 EBAF in-vitro O=c1c2cnc(N3CCOCC3)[nH]c-2cn1[C@@H]1CCS(=O)(=O)C1 1857583792 LHCICKMCBBUOSI-SNVBAGLBSA-N 338.389 -0.128 0 1 EBAF CC1=C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@](O)(C(C)C)CC1 2356376336 RNAAXOMQMFFENE-VUFNAHJJSA-N 332.393 -0.701 0 1 EBAF Cc1cccc2oc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(=O)c12 2356437822 JGBVSFJRCGYOGB-BZRJDHSHSA-N 338.312 -0.720 0 1 EBAF O=C(N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@H](O)[C@@H]1O)c1cncnc1 2356713962 XNKASDHXCMKDLM-WAZAZEMKSA-N 344.375 -0.514 0 1 EBAF CCOC(=O)NC1=NC=N[C@@H]2C1=C1CCCN1[C@]2(O)N1CCOCC1 103174476 XABYAWCUNWBADE-CZUORRHYSA-N 349.391 -0.117 0 1 EBAF Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@H](NC3COC3)[C@@H]2O)cc1 2356287525 LBMDEJOQTNIDJP-KKUMJFAQSA-N 342.417 -0.610 0 1 EBAF O=C(O)[C@H]1O[C@H](Oc2ccc(Br)cc2)[C@@H](O)[C@H](O)[C@H]1O 2356452979 JXGQMTXMLLENJP-RWHSBRQSSA-N 349.133 -0.280 0 1 EBAF CN(C)CCN(C)[C@@H]1[C@H]2OC[C@@H](O2)[C@H](NCc2ccco2)[C@H]1O 2356832921 IDRFGHDDTWLCSO-CWVYHPPDSA-N 325.409 -0.284 0 1 EBAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CCO[C@H]3CN)[C@H](C)[C@@H]12 29399857 HTXPDRHSGPNWKA-ZBJKAAEASA-N 342.417 -0.011 0 1 EBAF CCOC(=O)C1=C(C)C2[C@@H]3C(=O)NC(=O)[C@@H]3C1(C)[C@H]1C(=O)NC(=O)[C@H]21 5824076 DQHZYZKPZAYQIF-LKMVMKDQSA-N 346.339 -0.707 0 1 EBAF Nc1nc(N)c2c(-c3ccco3)cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 103249474 ALAXQYBPDTZYHA-IDTAVKCVSA-N 347.331 -0.533 0 1 EBAF CC(=O)N1C[C@H](NS(=O)(=O)c2ccc(F)cc2)C[C@@H]1C(N)=O 2356305021 KFVKWHQGKHXURU-ZYHUDNBSSA-N 329.353 -0.421 0 1 EBAF CC(C)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)N1CCC[C@@H]1C(N)=O 27851106 WKRBQSKJRZKXAH-IJLUTSLNSA-N 338.408 -0.728 0 1 EBAF CC(C)(C)[C@]1(O)C[C@H]2OC(=O)C[C@]23C(=O)O[C@@H]2OC(=O)[C@H](O)[C@@]231 27332245 MOLPUWBMSBJXER-AYEFFUNDSA-N 326.301 -0.744 0 1 EBAF C/C(Br)=C\c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O 28254390 MRQLECHMBZKNLI-WNXRQPCJSA-N 347.165 -0.067 0 1 EBAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=C/CCCC(=O)O)[C@@H](O)[C@H]1O 40975139 HAGCQDHTBHGTQC-VLCWARKCSA-N 349.347 -0.161 0 1 EBAF in-vivo N[C@@H](C[C@@H](C(=O)O)c1cc(C[C@@H](N)C(=O)O)ccc1O)C(=O)O 85588077 UEPMVCTWIQPSTP-BBBLOLIVSA-N 326.305 -0.683 0 1 EBAF in-vitro NCCC(=O)N[C@@H](CSCc1ccccc1)C(=O)NCC(=O)O 169344126 CNVSDFADWVWBDU-LBPRGKRZSA-N 339.417 -0.046 0 1 EBAF C/C=C/c1occ(CO)c1C(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]1O 238777674 RMZBPHXCQGMGOD-DRHQIKTGSA-N 328.317 -0.211 0 1 EBAF COc1cccc(CN2CC3(C2)C(=O)N(C)C(=O)[C@H]2C[C@@H](O)CN23)c1 2356363842 NBRLSANDBBBFLQ-UKRRQHHQSA-N 345.399 -0.317 0 1 EBAF O=c1[nH]c(=O)n([C@@H]2CO[C@@H](CO)[C@H](O)C2)cc1/C=C/Br 40520080 BKYFDKNSCAOWPM-MOFNKJLISA-N 347.165 -0.415 0 1 EBAF COc1cc2c3c(c1)O[C@@]1(C(=O)C(=O)O[C@@H]1[C@@H](O)CO)[C@@H](C2)C3=O 587450072 RLZATDIRKPDUSI-LZIQXYIHSA-N 334.280 -0.971 0 1 EBAF CC(C)C(=O)N[C@@H]1C[C@H](Cn2cc(CN(C)C)nn2)[C@@H](O)[C@@H]1O 2356689722 VEVKOPCQVCVTDN-FMKGYKFTSA-N 325.413 -0.778 0 1 EBAF NCCCNC(=O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)CS1 26495372 OEWSGRDVFKOIAE-VHSXEESVSA-N 329.382 -0.511 0 1 EBAF Cc1ccc2nc(C[C@@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c2n1 587217030 AAIDNEDHSRFXGR-PSASIEDQSA-N 349.347 -0.430 0 1 EBAF O=c1nc2c(cn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1)C=CCN2 58638357 TVIUKNIUQVYWKE-IVZWLZJFSA-N 345.248 -0.560 0 1 EBAF in-vitro Nc1ncnc2c1c(-c1ccoc1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 72106609 OHWWSQOZMWAXFE-SDBHATRESA-N 332.316 -0.115 0 1 EBAF Nc1nc(=O)n([C@@H]2C(F)=C(CO)[C@@H](O)[C@H]2O)cc1Br 149976202 ANUBUWXDIAGPTF-PRJMDXOYSA-N 336.117 -0.920 0 1 EBAF CN(C/C=C\CN)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)C[C@H]1O 253691819 WJXVWCZSTHQCKL-JTQWRHHVSA-N 333.396 -0.496 0 1 EBAF OC[C@@H](O)[C@@H](O)c1nc2cc(I)cnc2[nH]1 586891466 QOTKEROYCPGEFP-RNFRBKRXSA-N 335.101 -0.051 0 1 EBAF CO[C@@H]1C[C@@H]2C(=O)N3CC[C@@H](NC(=O)CSC)[C@@H]3C(=O)N2C1 2356603337 GZRNFIXILMUFON-DNRKLUKYSA-N 327.406 -0.935 0 1 EBAF COC(=O)/C=C/c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 257466461 KPYQJVYNSWDFQU-IAVHJFHTSA-N 340.328 -0.949 0 1 EBAF endogenous,in-man CC1=C[C@H](O)[C@](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)(C(C)C)CC1 238747031 JMDWDRGHOPRHGO-IZNMMPHHSA-N 332.393 -0.701 0 1 EBAF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c(N)ncnc3[nH]2)c1 586935473 HLWVRGDZZTYAFL-UHFFFAOYSA-N 347.360 -0.634 0 1 EBAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CCO[C@@H]3CN)[C@H](C)[C@H]12 29398652 HTXPDRHSGPNWKA-MPVQUNCYSA-N 342.417 -0.011 0 1 EBAF CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)NC(C)C 169317088 KYMYFZPNLDLRHI-RYUDHWBXSA-N 340.424 -0.563 0 1 EBAF COc1ccc([C@H](O)[C@H](C)O[C@@H]2C[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 2356358593 SCHQSTZPCSWQOE-XYKSATOQSA-N 342.388 -0.403 0 1 EBAF O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)coc2cc(O)cc(O)c12 95587376 OZPUECXAPPJJNO-YGKMZZGGSA-N 326.257 -0.978 0 1 EBAF CS(=O)(=O)NC[C@@H]1OC[C@H](NC2CCC(F)(F)CC2)[C@H]1O 2356288277 ZNSFTEJCIXUHKC-GARJFASQSA-N 328.381 -0.169 0 1 EBAF COc1ccc(C=CCO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356518681 XRQSXJGKRJVWSU-LEOABGAYSA-N 326.345 -0.475 0 1 EBAF NC(=O)NC(=O)C[C@H]1NC(=O)C(=Cc2c[nH]c3ccccc23)NC1=O 2356849337 PVGDIYLDSVXOJN-GFCCVEGCSA-N 341.327 -0.292 0 1 EBAF Cn1c(=O)c2c(nc(Cl)n2CCOP(=O)(O)O)n(C)c1=O 26643637 HFCPAGJKJYNEMD-UHFFFAOYSA-N 338.644 -0.804 0 1 EBAF C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@@H]1CO[C@@H](CC2=CC(=O)OC2)[C@H](O)[C@@H]1O 29345492 NPQFBGATDQDFCH-IXYSYFPBSA-N 342.388 -0.229 0 1 EBAF 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2356813814 BUTAAJWVGSLBIT-HMDCTGQHSA-N 336.436 -0.482 0 1 EBAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CO[C@@H](CN)C3)[C@H](C)[C@H]12 3808352 DAUDNOHUBCAECI-MPVQUNCYSA-N 342.417 -0.011 0 1 EBAF C/C=C\c1ccc(O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]2O)c(OC)c1 95099019 HBQGHTRBYUFZLV-CWUBTVOYSA-N 340.328 -0.001 0 1 EBAF biogenic,in-vitro CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@H](C(=O)O)C[C@H]1NC(=N)N 299870424 XRQDFNLINLXZLB-NJMOYASZSA-N 328.413 -0.139 0 1 EBAF in-vivo C/C(=C/C=C\C[C@H](C)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)CO 15120365 BMZXRCYRAQEICG-ITWCHDMKSA-N 332.393 -0.676 0 1 EBAF endogenous,in-man OC[C@@H]1O[C@@H](Oc2cccc3c(O)ccc(O)c23)[C@@H](O)[C@H](O)[C@@H]1O 86040867 PUKLOSMRXIAWPE-BPKBQXTESA-N 338.312 -0.570 0 1 EBAF in-man O=C(O)c1c[nH]c2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 87529092 KVKJZZMEYYZNDI-VVSAWPALSA-N 339.300 -0.955 0 1 EBAF in-vitro CCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 95905041 UBGBGRJMDWVBDG-MJBXVCDLSA-N 326.393 -0.260 0 1 EBAF Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H]2O[P@](=O)(O)OC[C@H]2O1 253634850 UGPCRDVEZBEDNK-XQXXSGGOSA-N 343.236 -0.427 0 1 EBAF CNS(=O)(=O)N1CCC(c2nc3c(O)nc(S)nc3[nH]2)CC1 586956022 QTEDABVDEGIXJC-UHFFFAOYSA-N 344.422 -0.009 0 1 EBAF O[C@@H]1[C@H](NCc2ccc3c(c2)OCO3)[C@H]2CO[C@@H](O2)[C@H]1n1cncn1 2356295111 FTCFDYIAECGALE-LJIZCISZSA-N 346.343 -0.178 0 1 EBAF C[C@H](C(=O)O)c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356378882 BVJMHIAJLGZOHQ-JOOUAEDYSA-N 328.317 -0.947 0 1 EBAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3COC[C@H]3CN)[C@H](C)[C@H]12 29407255 DTNWDBNVPLMUMV-VRGHXPGPSA-N 342.417 -0.153 0 1 EBAF CCOC(=O)C1=C(C)[C@H]2[C@@H]3C(=O)NC(=O)[C@@H]3[C@@]1(C)[C@@H]1C(=O)NC(=O)[C@@H]21 254142508 DQHZYZKPZAYQIF-DVUXSAMHSA-N 346.339 -0.707 0 1 EBAF C[C@@H]1Cc2c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)cc(O)c2C(=O)O1 2356730436 GUNXKIKUNNXJKN-RTNGCMKESA-N 342.300 -0.983 0 1 EBAF C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1C(=O)N2CCO[C@H]12 3959961 PXXXOWPOTDGNEB-JVLSTEMRSA-N 333.344 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CC=CC=CC(=O)NC[C@H](O)C[C@@H](N)CC(=O)NCCC(=N)N 2356721777 OAXPQNCOMDEHMJ-VXGBXAGGSA-N 325.413 -0.854 0 1 EBAF NC(=O)C1CCN([C@@H]2[C@H]3OC[C@@H](O3)[C@@H](NCC3CC3)[C@@H]2O)CC1 2356837520 LKEJNFKVQORJLY-NJURLYQPSA-N 325.409 -0.964 0 1 EBAF COC(=O)C(=O)N1CC[C@@H]2NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21 25411856 AVAHVTWHCLFIQP-NWDGAFQWSA-N 331.328 -0.119 0 1 EBAF biogenic Nc1nc2c(ncn2[C@H]2C=C[C@@H](OCP(=O)(O)O)C2)c(=O)[nH]1 27752297 YZUVGBICEBOAKP-NKWVEPMBSA-N 327.237 -0.277 0 1 EBAF O=C(C[C@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NCCN1CCCC1 95794146 WKHWBVOQABFDNM-FPCVCCKLSA-N 341.452 -0.515 0 1 EBAF CCc1ccc2ncc(OC(=O)[C@@H]3O[C@@](O)(CO)[C@H](O)[C@H]3O)[c-]2c1 85569293 KPOCQFJIQBBHBR-NHIYQJMISA-N 336.320 -0.777 0 1 EBAF biogenic,in-vitro COc1cc2c(c(OC)c1OC)C(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](O)C[C@H]21 1857534212 PZKDWMBIXOEGIY-CSVDQLGKSA-N 339.344 -0.606 0 1 EBAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3CCNCC3)[C@H](O)[C@H]2O1 2356290086 JJSJRQDQWBUUQF-QZLJAVCYSA-N 341.452 -0.472 0 1 EBAF 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0 1 EBAF COC(=O)Cn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)CCN2 82204820 MMLSPMQKBSAJMX-UHFFFAOYSA-N 334.288 -0.546 0 1 EBAF COc1cc(OC)c([C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(OC)c1 169299095 LRAFWJRAEFYZRU-OLOXDWRXSA-N 330.333 -0.773 0 1 EBAF COc1c2c(cc3c1C(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](O)C[C@H]31)OCCO2 1857571574 VPSDHKCWPIDDNT-CSVDQLGKSA-N 337.328 -0.852 0 1 EBAF CC(=O)OC[C@]1(OC(C)=O)C=C[C@H](O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 2356655814 LRLSUOQJGUVLHS-GBJTYRQASA-N 344.316 -0.355 0 1 EBAF O=C(NC[C@@H]1OC[C@@H](NCc2ccccn2)[C@H]1O)N1CCOCC1 2356726742 URIIFGHOIWRMFB-QLFBSQMISA-N 336.392 -0.659 0 1 EBAF CCOc1cc(C=O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 13481362 SWESETWDPGZBCR-QRTUWBSPSA-N 328.317 -0.924 0 1 EBAF endogenous,in-man OC[C@@H]1O[C@@H](Oc2cccc3c(O)ccc(O)c23)[C@@H](O)[C@@H](O)[C@@H]1O 14612295 PUKLOSMRXIAWPE-YPUPRDRTSA-N 338.312 -0.570 0 1 EBAF endogenous,in-man CN(C)S(=O)(=O)c1ccc(-n2ncc(=O)[nH]c2=O)cc1Cl 26022275 VMMDLIHXKGQGAP-UHFFFAOYSA-N 330.753 -0.176 0 1 EBAF 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COC(=O)[C@@H](CC(=O)OC1CCCCC1)NC(=O)[C@H](N)CC(=O)O 27655977 OSWSZHANOQZLSS-GHMZBOCLSA-N 344.364 -0.288 0 1 EBAF CN(C)CC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO 95866807 JZGSDBGZUFYFKG-MELADBBJSA-N 327.425 -0.511 0 1 EBAF Cc1cccc(N2C(=O)CS[C@H]2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1 103178686 LXXYTGJUYVMIPX-IKSZGEOFSA-N 325.386 -0.118 0 1 EBAF CC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](N)C(=O)O)OC(C)=O 56870923 HAGZRCCJXLGJTR-BDAKNGLRSA-N 343.225 -0.973 0 1 EBAF in-vitro CC1(C)S[C@@H](C(=O)O)[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)S1 66074909 UMHWLCWDKDXWTL-UBKIQSJTSA-N 336.391 -0.531 0 1 EBAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cnccc2[nH]1 587217992 DUQYGJJHCARIRH-IONNQARKSA-N 335.320 -0.218 0 1 EBAF Nc1ncnc2c1c(-c1ccncc1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1857617924 PBBGXWCXJKHWIZ-XNIJJKJLSA-N 343.343 -0.313 0 1 EBAF O=C1CC[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c2cc(O)ccc21 2356447016 JIUJVEDQFZYETQ-AYCBFJCHSA-N 340.328 -0.774 0 1 EBAF CC(=O)NC[C@@H]1OC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]12 28237627 SQROLUZEWYGDLY-RYUDHWBXSA-N 325.346 -0.280 0 1 EBAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CCO[C@@H]3CN)[C@H](C)[C@@H]12 29398649 HTXPDRHSGPNWKA-RJRBEDEGSA-N 342.417 -0.011 0 1 EBAF CN1C[C@H](O)[C@]2(CCN(C(=O)COc3ccccc3)C2)S1(=O)=O 299852587 VAKLJMOULACRFC-DZGCQCFKSA-N 340.401 -0.327 0 1 EBAF CC(=O)c1cc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(O)c1C 2356407769 KNHOEAFGAAOPKI-SEBNEYGDSA-N 328.317 -0.918 0 1 EBAF O=C(O)[C@H]1O[C@@H](Oc2cccc3ccc(=O)oc23)[C@@H](O)[C@H](O)[C@H]1O 2356469599 UGCXHNMVZFRPBN-RXHHHXIQSA-N 338.268 -0.936 0 1 EBAF O=C(c1ccc2c(c1)OCO2)N1CCN2C(=O)N(CCO)C(=O)[C@H]2C1 5415776 XIIFELGIJNXQSF-LLVKDONJSA-N 347.327 -0.504 0 1 EBAF biogenic Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@H](N)CC2CCC2)[C@@H](O)[C@H]1O 1772610828 YSZDHMTXZIMIIL-ZGOQAQPGSA-N 348.407 -0.065 0 1 EBAF C[C@@H]1C(=O)C[C@@]2([C@H](C)CO[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@H]12 2356433800 UYOSJGOQRCLMNM-XVBGWQPZSA-N 330.377 -0.946 0 1 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CON(C)C(=O)/C=C/C[C@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)[S@](=O)[C@H]12 25963263 NODZXNWCPAUXPG-RLKJYTADSA-N 344.389 -0.269 0 1 EBAF CNS(=O)(=O)N1CCC(c2nc3c(O)nc(N)nc3[nH]2)CC1 586956121 VOAWVLFOGZDNGE-UHFFFAOYSA-N 327.370 -0.716 0 1 EBAF COc1cccc2cc3c(nc12)[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)NCC3 963029456 CQJLASXKKNPMPM-UYOKMZRWSA-N 348.399 -0.106 0 1 EBAF COc1ccc(C=CC(=O)O[C@H]2[C@@H](O)[C@H](O)[C@@H](C)O[C@H]2O)cc1O 2356514971 UGNCQBJDUPXVHT-BPBBSYFPSA-N 340.328 -0.215 0 1 EBAF O=C(O)[C@H]1O[C@H](Oc2cc(O)nc3ccccc23)[C@@H](O)[C@H](O)[C@H]1O 2356543632 VXVCKKSATQIIPH-BIGJJFBESA-N 337.284 -0.789 0 1 EBAF N#Cc1ccc(C(=O)N2CCN3C(=O)N(CCO)C(=O)[C@H]3C2)cc1 5434103 RDASQEWSSJGQSW-CYBMUJFWSA-N 328.328 -0.361 0 1 EBAF biogenic CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 14503341 IDONYWHRKBUDOR-DGXTUMSLSA-N 326.345 -0.613 0 1 EBAF endogenous,in-man CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)O1)C(=O)N1CCC[C@H]1C(N)=O 40791308 RBIFNGAZHMWSFC-SRVKXCTJSA-N 339.392 -0.301 0 1 EBAF O=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cccc2ccccc12 40980449 ZRADTVPEZAWXOT-OWVAZHOYSA-N 333.340 -0.631 0 1 EBAF CCNc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)n1 98208777 CLGIJIDGLSCEMM-QXFUBDJGSA-N 335.253 -0.567 0 1 EBAF in-vitro Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2OCc2ccccc2)c(=O)[nH]c1=O 28764007 DATBKOIZQJYNAJ-HGTKMLMNSA-N 348.355 -0.319 0 1 EBAF Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H]2O[P@](=O)(O)O[C@H]21 100770303 KMYWVDDIPVNLME-SQQSDITASA-N 329.209 -0.817 0 1 EBAF endogenous,in-vitro OC[C@H]1O[C@@H](Oc2ccc(O)c3cccc(O)c23)[C@@H](O)[C@H](O)[C@H]1O 2356518264 LASMTIIWUCJLEH-MBEZOWKRSA-N 338.312 -0.570 0 1 EBAF CC(=O)NCC[S@](=O)C1=C(C(=O)O)N2C(=O)C(=C(C)CO)[C@H]2C1 2356561559 IATDYGCCUJUVGA-WBNWAKSLSA-N 342.373 -0.909 0 1 EBAF Cc1ccc(S(=O)(=O)NC(=O)N[C@@H](CC(N)=O)C(=O)O)cc1 1655041 KHIAJJQTBUGJPU-VIFPVBQESA-N 329.334 -0.688 0 1 EBAF O=c1[nH]c(=O)n([C@H]2C=C(CO)CO2)cc1I 6523990 SUPAAQNYMAGMCF-SSDOTTSWSA-N 336.085 -0.411 0 1 EBAF OC[C@@H]1O[C@H](Oc2ccc(O)c3cccc(O)c23)[C@@H](O)[C@@H](O)[C@@H]1O 14612281 LASMTIIWUCJLEH-TXUJKZCJSA-N 338.312 -0.570 0 1 EBAF endogenous,in-man COCC(=O)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO 95677331 BHRCWANBCSKYFS-MJBXVCDLSA-N 326.393 -0.164 0 1 EBAF Cc1ccc(C(C)(C)O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 142064928 WPQBQXITRFCMNT-UXXRCYHCSA-N 328.361 -0.599 0 1 EBAF C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356541538 KLLYDTMVSVIJEH-HIMXQRAGSA-N 328.361 -0.470 0 1 EBAF COC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)CCCCC1 29319930 YMOKKWOCPZIOBT-UWVGGRQHSA-N 343.380 -0.715 0 1 EBAF O=C(C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)Nc1ccc(F)cc1F 253649222 ZCHKLYSCVDAJAX-ONCHEJIZSA-N 333.287 -0.864 0 1 EBAF C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2ncon2)c2c(N)ncnc21 68198902 ISFKCFKKYCKEPL-MVNCPAOLSA-N 348.319 -0.935 0 1 EBAF Nc1nc(-c2cccs2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 28823941 QFNXVVCTCWQYGC-NNGGQVLBSA-N 349.372 -0.252 0 1 EBAF OC[C@H]1O[C@H](n2ncc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O 48995340 QLRSOMBXKGQFNT-BLTAXRJOSA-N 347.331 -0.357 0 1 EBAF C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)CC(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O 238788162 GNXFLWHEWHXBDS-ZRUDARIKSA-N 346.376 -0.107 0 1 EBAF C[C@@H](O)[C@H](N)C(=O)NC/C=C/Cn1cnc2cnc(F)cc2c1=O 1857551450 SCQQNQWVACFHGE-YNXRJFLPSA-N 335.339 -0.689 0 1 EBAF O=C(O)C1=N[C@@H](C(=O)O)CC(C=CN[C@@H](CCCO)C(=O)O)=C1 2356347447 QOCJNRPNBHJDDW-GXSJLCMTSA-N 326.305 -0.376 0 1 EBAF COCc1cn(C[C@@H]2C[C@H](NCc3nccs3)[C@H](O)[C@H]2O)nn1 2356319086 AJOZHFJNOSOASR-RETIQXCHSA-N 339.421 -0.219 0 1 EBAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(O)nc(O)nc2[nH]1 586938089 IRAJUQVIXBIIAG-YFKPBYRVSA-N 339.337 -0.463 0 1 EBAF CC(=O)CSc1ncnc2c1cnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49110764 RHKUHHYAKVTWQO-VWMGYNLJSA-N 340.361 -0.881 0 1 EBAF CC1=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@](O)(C(C)C)CC1 238760607 RNAAXOMQMFFENE-IZNMMPHHSA-N 332.393 -0.701 0 1 EBAF CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CCCNC(=N)N)c1 1857536289 WSDCLWSDSFASQD-AWEZNQCLSA-N 333.440 -0.020 0 1 EBAF C=c1[nH]c(=NC)sc1=C1N=C(c2c(C)ncc3c2CCNC3)NO1 1857620545 KTMOZTJAPVTIRO-UHFFFAOYSA-N 342.428 -0.587 0 1 EBAF CO[C@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@H]12)C(C)(C)O 4916186 ZNEMYFCJOCCUJN-YGSHXTJESA-N 329.393 -0.558 0 1 EBAF COC(=O)C(C(=O)OC)=C1NC(=O)N([C@H]2C=C[C@@H](CO)O2)C=C1C 6521450 GQKKCGYYWBYJLT-VHSXEESVSA-N 338.316 -0.211 0 1 EBAF Cc1csc(-c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1 13673092 OYFWHDBBXCOMQL-FRJWGUMJSA-N 349.372 -0.130 0 1 EBAF O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1OCCc1ccccc1 105519989 ZJJFIMAIGKXEKX-YUELXQCFSA-N 348.355 -0.201 0 1 EBAF CNC(=O)C(C)(C)N1CCC[C@@H]1C(=O)NCCN1CCOCC1 2356301909 HKSZKOUBSUSHCU-CYBMUJFWSA-N 326.441 -0.576 0 1 EBAF O=C(NC[C@@]1(COc2cnccn2)C[C@H](O)[C@H](O)C1)c1ccno1 2356482310 JJRWYARTPRTMQV-HBYGRHMLSA-N 334.332 -0.225 0 1 EBAF O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@@H](NC(=O)C3CC3)CN21)NC1CC1 2356814316 CAAJMJVLEFUOHQ-MCIONIFRSA-N 334.420 -0.487 0 1 EBAF Nc1nc(N)c2ncn(C[C@@H](CF)OCCP(=O)(O)O)c2n1 96913319 XUWATZXLSXZXOU-ZCFIWIBFSA-N 334.248 -0.477 0 1 EBAF COC(=O)[C@@H]1c2c(oc3cc(CO)cc(O)c3c2=O)C[C@@H](O)[C@H]1O 2356721711 MSMANVTWHFXNJN-GFWSLJDESA-N 336.296 -0.475 0 1 EBAF CS(=O)(=O)N1CCN2C(=O)[C@H](Cc3cccs3)NC(=O)[C@H]2C1 2356874412 YVZNGEDEFKVOGP-WDEREUQCSA-N 343.430 -0.739 0 1 EBAF NC[C@H]1CC[C@H](n2cc(I)c(=O)[nH]c2=O)O1 26379560 BMCKXDFIGMGIOA-IYSWYEEDSA-N 337.117 -0.223 0 1 EBAF CSc1nc(SC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 49110758 FTGZLZPNEHEUMH-IOSLPCCCSA-N 344.418 -0.118 0 1 EBAF CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC=C(CO)CC1 95913501 JLDWWSSQBYGULG-LACSLYJWSA-N 332.393 -0.700 0 1 EBAF biogenic,in-vitro Cc1ccc([C@@H](C)CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 2356383143 BSSVKRXIXZMMNH-UQKLJIQZSA-N 328.361 -0.379 0 1 EBAF C=CC(=O)NC[C@H]1[C@@H](C(=O)O)[C@@H](N)CN1C(=O)N(CC)C(C)C 169322284 NTTIBKWOUCRKNY-GVXVVHGQSA-N 326.397 -0.149 0 1 EBAF Cc1ccsc1S(=O)(=O)NC[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O 1857561071 QOJMGWVLTLXPLR-VPJKUYQRSA-N 337.419 -0.795 0 1 EBAF COCCNC(=O)NCCNC[C@H](O)COc1ccc(O)cc1 26980916 DVVYTAIPOQDELG-ZDUSSCGKSA-N 327.381 -0.333 0 1 EBAF O=C(c1ccc2c(c1)OCO2)N1CCN2C(=O)N(CCO)C(=O)[C@@H]2C1 25430446 XIIFELGIJNXQSF-NSHDSACASA-N 347.327 -0.504 0 1 EBAF biogenic O=C1CC[C@H](N2S(=O)(=O)c3ccccc3S2(=O)=O)C(=O)N1 72177029 YGLHKSHEVWFAPS-ZETCQYMHSA-N 330.343 -0.815 0 1 EBAF N[C@H]1NC(=O)/C(=C2/CCNC(=O)c3[nH]cc(Br)c32)N1 101693016 IMEGXEIERXOCFE-TZOMUSMUSA-N 326.154 -0.417 0 1 EBAF COc1cc(OC)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(OC)c1 253651143 LRAFWJRAEFYZRU-NZNQWUEYSA-N 330.333 -0.773 0 1 EBAF O=C(C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@@H]1O)NCc1cccnc1 2356738775 ZYCYUZSGIQQEPV-SJXGUFTOSA-N 349.387 -0.897 0 1 EBAF N[C@@H](Cc1c(-c2nnn(Cc3ccccc3)n2)o[nH]c1=O)C(=O)O 16052344 ZNMNDDBPIVAUGG-JTQLQIEISA-N 330.304 -0.376 0 1 EBAF in-vitro COCC(=O)N[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2n1cc(-c2ccccn2)nn1 25413934 OMWDYMWXXZHSTA-VRKREXBASA-N 345.359 -0.190 0 1 EBAF biogenic Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)S1 58638935 LAIZFWKCMIXLCJ-RRKCRQDMSA-N 347.293 -0.117 0 1 EBAF in-vitro COCc1cn(C[C@@H]2C[C@H](NC(=O)c3cccnc3)[C@@H](O)[C@@H]2O)nn1 2356396306 GYYIQXDPHBGWPF-SPWCGHHHSA-N 347.375 -0.640 0 1 EBAF CC1(C)C(=O)[C@]2(CO[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@H]1C2 2356471691 WERYFGDRRGZFRG-WPHIYKPZSA-N 330.377 -0.802 0 1 EBAF CC(=O)O[C@@H](c1nc2c(O)nc(=N)[nH]c2nc1O)[C@@H](C)OC(C)=O 2356306617 HGLKZHGHVNEKBX-ALFREKQPSA-N 337.292 -0.201 0 1 EBAF COC(=O)CC[C@@H]1CNC(=O)[C@H]2[C@H](CCN2C2CCOCC2)N1C 2356833130 IEQQAKDXGKWGFU-IJEWVQPXSA-N 339.436 -0.008 0 1 EBAF COc1ccc(S(=O)(=O)NC[C@H](O)CN2CCOCC2)cc1 40900998 SLDNODSXPJTSRV-LBPRGKRZSA-N 330.406 -0.333 0 1 EBAF CC(=CC=CC[C@H](C)C(=O)O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356348655 AEXJDSDOWQJVOT-OSKMXNKJSA-N 346.376 -0.584 0 1 EBAF CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)O 2575488 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29572041 RMJKEQYTRNXWGU-JOAULVNJSA-N 343.280 -0.128 0 1 EBAF Nc1ncnc2c1c(Br)cn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O 59023804 NQHUPXAKCRNIRT-QNSHHTMESA-N 341.165 -0.029 0 1 EBAF N[C@@H](Cc1cncn1[C@H](c1ccc(O)cc1)[C@H](N)C(=O)O)C(=O)O 219814159 ATOXYGBPFCBKCE-RWMBFGLXSA-N 334.332 -0.456 0 1 EBAF in-vitro O[C@@H]1[C@@H](NCc2ccc3c(c2)OCO3)[C@H]2CO[C@@H](O2)[C@@H]1n1cncn1 2356295109 FTCFDYIAECGALE-JKJDWNRSSA-N 346.343 -0.178 0 1 EBAF CCOC(=O)CNc1c(N2CCN(c3ccccn3)CC2)c(=O)c1=O 104037989 CTCTXQQRLHQIGC-UHFFFAOYSA-N 344.371 -0.021 0 3 EBAF CC(C)c1ccc(CO)cc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 85874216 IILRAPUPZQMHJL-UYJHQMFVSA-N 328.361 -0.519 0 1 EBAF in-man CC=Cc1occ(CO)c1C(=O)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O 2356518476 RMZBPHXCQGMGOD-OPDKGNILSA-N 328.317 -0.211 0 1 EBAF COCc1cn(C[C@@H]2C[C@H](NC3CCOCC3)[C@@H](O)[C@H]2O)nn1 2356585953 HGYBHWSVXULVPZ-FBUXBERBSA-N 326.397 -0.697 0 1 EBAF C[C@]1(CO)O[C@@H](n2cc(/C=C/Br)c(=O)[nH]c2=O)C[C@@H]1O 3842836 QLTPKNYOJVOSKO-BYMVJSJZSA-N 347.165 -0.067 0 1 EBAF COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cn1c(=O)c(C)nc2ccccc21 103276574 BTIMSJOUIQSRQC-RISCZKNCSA-N 345.355 -0.160 0 1 EBAF N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccccc2[nH]1)C(=O)O 587221908 RJXKWPNTNINRMW-LDYMZIIASA-N 334.332 -0.133 0 1 EBAF COc1ccc(Cl)c2c1CCN[C@H]2[C@H](F)[C@@H](O)[C@H](O)[C@H](O)CO 963256160 AUIRNKBRDDKWMC-ZRPPUJLASA-N 349.786 -0.052 0 1 EBAF COC(=O)[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)OC1CCCCC1 27653342 OXEWDXHJRAVGDO-KOLCDFICSA-N 330.337 -0.678 0 1 EBAF CCc1nc(C(=O)NCC(=O)OCCN(CCN)CCO)cs1 82071978 QCUAQHVRUXHTKV-UHFFFAOYSA-N 344.437 -0.769 0 1 EBAF CO[C@H]1O[C@H](Cn2cc(-c3cccc(C)c3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O 96174757 DDRJWXHFVCMBIW-SUJAAXHWSA-N 335.360 -0.292 0 1 EBAF OC[C@H]1O[C@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H](O)[C@@H]1O 13719629 SQMWSBKSHWARHU-NYMYIZQJSA-N 335.364 -0.208 0 1 EBAF COc1ccccc1N1CCN(CCn2ncc(=O)n(C)c2=O)CC1 145988203 YGKBDVBBEKOXCY-UHFFFAOYSA-N 345.403 -0.227 0 1 EBAF O[C@H]1[C@@H](NCc2ccc(Br)cc2)C[C@@H](O)[C@H](O)[C@H]1O 299852461 SJDQBUMXZCITSD-PPCPHDFISA-N 332.194 -0.245 0 1 EBAF CN(C)S(=O)(=O)c1cccc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c12 586885862 DLDPQNHVCZTDDU-ZJUUUORDSA-N 329.334 -0.708 0 1 EBAF CCCC(=O)O[C@H]1[C@@H](CO)O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H]1F 1642386 QMRFHWKESJIABD-BXSSEVMYSA-N 334.275 -0.385 0 1 EBAF Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H]2O[P@](=O)(O)OC[C@@H]2O1 25999002 UGPCRDVEZBEDNK-AZRUVXNYSA-N 343.236 -0.427 0 1 EBAF CCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O 39595074 DCRKLJODQXJGLD-SRVKXCTJSA-N 338.408 -0.584 0 1 EBAF Nc1nc2c(nc(C(F)(F)F)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1 169328432 RQBPXWDGKVKTQJ-VPENINKCSA-N 335.242 -0.639 0 1 EBAF COC(=O)[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O 653769927 HCUSDTYYHSNCNY-LURJTMIESA-N 331.225 -0.898 0 1 EBAF CO[C@]1(O)C=C[C@@]23c4cc5c(cc4[C@H](O)N(C[C@H]2O)[C@H]3C1)OCO5 2356498398 VNNZHWYQSRQRDI-NNXHMXCWSA-N 333.340 -0.002 0 1 EBAF CC(C)=C[C@H]1C/C(=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1 34849695 AYOGZIXAHOAPOK-QKAQTOFFSA-N 344.360 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CCCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 49112296 OEKQEDBCPPNGKO-IBEHDNSVSA-N 328.361 -0.174 0 1 EBAF CCO[P@](=O)(O)C[C@@H](OCn1cc(C)c(=O)[nH]c1=O)[C@H](C)O 58529270 INYICZBYGZKRTD-VHSXEESVSA-N 336.281 -0.210 0 1 EBAF Nc1ncc(Br)c2c1ncn2[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O 95595022 NXSSDHAJPPWSRB-OFLNYADTSA-N 329.154 -0.197 0 1 EBAF O=C(C=Cc1ccc(O)cc1)O[C@@]1(C(=O)O)C[C@H](O)[C@@H](O)[C@H](O)C1 2356349130 SMTYFLZDZRNFJI-ANLITQITSA-N 338.312 -0.352 0 1 EBAF CC(C)=C[C@@H]1CC=C(CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=O)O1 2356419289 MKXVLYPJBLBGIO-OSKMXNKJSA-N 344.360 -0.989 0 1 EBAF CS(=O)(=O)N1CCN2C(=O)[C@@H](Cc3cccs3)NC(=O)[C@H]2C1 2356874410 YVZNGEDEFKVOGP-GHMZBOCLSA-N 343.430 -0.739 0 1 EBAF CC(C)=CCNc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 11682415 USVMJSALORZVDV-NYMYIZQJSA-N 335.364 -0.184 0 1 EBAF biogenic,in-vitro Nc1ncnc2c1ncn2[C@H]1O[C@@H](CCP(=O)(O)O)[C@@H]1CO 26152888 PXJJAJWPCRPVLB-HFJPGXAFSA-N 329.253 -0.518 0 1 EBAF 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0 1 EBAF CC[C@H](C)[C@H](NC(=O)[C@@H]1O[C@@H]1C(=O)O)C(=O)NCCCCCN 14953488 BVAAGSUIMXBLOC-YFKTTZPYSA-N 329.397 -0.386 0 1 EBAF biogenic CN(C)CCn1cc(NC(=O)c2nc(NC=O)cn2C)nc1C(N)=O 27327725 XKCZHMWOUDPFRZ-UHFFFAOYSA-N 348.367 -0.902 0 1 EBAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSc2ncc[nH]2)[C@@H](O)[C@H]1O 28523336 RAVZCFVYBJGXAY-WOUKDFQISA-N 349.376 -0.457 0 1 EBAF O=C1CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(O)cccc21 95912543 QTXYTEQMJMZIBS-YARPKSRZSA-N 340.328 -0.774 0 1 EBAF biogenic,in-vitro C[C@H](CCC(=O)c1ccoc1)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356614313 PTJJGQRFZDZMRD-DVSCWCMQSA-N 344.360 -0.305 0 1 EBAF CO[C@@H]1O[C@H](Cn2cc(Cc3ccccc3)nn2)[C@H](O)[C@H](O)[C@H]1O 49069276 JXAHUWGCDYRWDI-LYYZXLFJSA-N 335.360 -0.677 0 1 EBAF CC(=O)Nc1c2n(c(=O)n(CCN)c1=O)[C@@H](c1ccccc1)CN2 82210246 NAZKJZZFSLXQMQ-GFCCVEGCSA-N 329.360 -0.058 0 1 EBAF COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@]12CCCO2 149410674 OKJOQEQDZTVEBV-PRXFWLEBSA-N 337.336 -0.783 0 1 EBAF 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COCCNC(=O)[C@@H]1O[C@H](CCN(C)CCN(C)C)CC[C@@H]1O 2356852601 QRJMWPIKYPHBJM-SOUVJXGZSA-N 331.457 -0.459 0 1 EBAF N=C(N)Nc1nc(CSCCNC2=NS(=O)N=C2N)cs1 1585787 JDKAFLSRQPKFCQ-UHFFFAOYSA-N 346.467 -0.381 0 1 EBAF CCOC(=O)C1=C(C)C2[C@@H]3C(=O)NC(=O)[C@H]3C1(C)[C@H]1C(=O)NC(=O)[C@H]21 5824078 DQHZYZKPZAYQIF-UCNDFZDWSA-N 346.339 -0.707 0 1 EBAF Nc1ncnc2c1ccn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1 38580989 JNMXDKIIPORENX-DJLDLDEBSA-N 330.237 -0.229 0 1 EBAF in-vitro CCc1ccc2[nH]cc(OC(=O)[C@@H]3O[C@](O)(CO)[C@H](O)[C@@H]3O)c2c1 2356481592 VCWKSEMDOAEEDE-IXYNUQLISA-N 337.328 -0.563 0 1 EBAF N=C(N)N1CCN([C@@H]2CN[C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 299853066 FEGYZLGYBMDBMS-QWRGUYRKSA-N 330.383 -0.904 0 1 EBAF CC1=C[C@@H](O)[C@@](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)(C(C)C)CC1 2356682336 JMDWDRGHOPRHGO-VUFNAHJJSA-N 332.393 -0.701 0 1 EBAF CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1 26403238 AHJRSKVOELIMOX-NJYNRLGGSA-N 347.375 -0.438 0 1 EBAF CC1(C)O[C@@]2(C)CC[C@@H]1C[C@H]2O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 95909888 NWZYTZHMCGWGOF-PCNPAADKSA-N 332.393 -0.461 0 1 EBAF biogenic,in-vitro CC1(C)O[C@]2(C)CC[C@@H]1C[C@H]2O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 103884885 NWZYTZHMCGWGOF-KCKMJQPTSA-N 332.393 -0.461 0 1 EBAF in-man O=C(NC[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O)C1(c2ccccc2)CCCC1 1772639712 HJKXKTKLWDHBNB-JJXSEGSLSA-N 334.416 -0.331 0 1 EBAF COC(=O)[C@@H]1c2c(oc3cc(CO)cc(O)c3c2=O)C[C@@H](O)[C@@H]1O 2356721714 MSMANVTWHFXNJN-WZYXQFPFSA-N 336.296 -0.475 0 1 EBAF OC[C@H]1O[C@@H](c2nc(-c3ccc4[nH]ccc4c3)no2)[C@H](O)[C@@H](O)[C@H]1O 61905663 FCLKQRUGDHSPTC-MBJXGIAVSA-N 347.327 -0.267 0 3 EBAF CN1C[C@@H](CO)O[C@@H](n2cnc3c(N4CCOCC4)ncnc32)C1 61925859 WMYWYVVJDILEAM-NWDGAFQWSA-N 334.380 -0.516 0 3 EBAF NCCCNC(=O)OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)CS1 26495367 OEWSGRDVFKOIAE-NXEZZACHSA-N 329.382 -0.511 0 1 EBAF CCO[P@](=O)(O)C[C@@H](OCn1cc(C)c(=O)[nH]c1=O)[C@@H](C)O 33496012 INYICZBYGZKRTD-NXEZZACHSA-N 336.281 -0.210 0 1 EBAF 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CCC[S@@](=O)C[C@@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O 26986278 GEFQIFMIHXJXAQ-ZPCMTTSZSA-N 343.405 -0.979 0 1 EBAF CC(=O)O[C@@H]1[C@H](SCC(N)=O)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O 40934042 PLSZOXAUQRSDSI-XEZLXBQYSA-N 349.361 -0.644 0 1 EBAF CC(C)[C@]12C[C@@H]1[C@](C)(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)CC2=O 2356735048 RWKOFNZNFCIFHP-BSRJGHAHSA-N 330.377 -0.803 0 1 EBAF CC(C)(C)NS(=O)(=O)NC(=O)C1=C(N2CCCC2)COC1=O 61949593 IDLYGMLSXRFKKC-UHFFFAOYSA-N 331.394 -0.358 0 3 EBAF CN(C)CCNC(=O)Cn1cnc2c(nc3n2CCCCC3)c1=O 6936059 RYNZEYDZKDNNGL-UHFFFAOYSA-N 332.408 -0.003 0 1 EBAF COC(=O)C(=O)N1CC[C@@H]2NC(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 25410331 YISHEJKQNNFVEO-NWDGAFQWSA-N 347.327 -0.106 0 1 EBAF biogenic C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3CCC[C@@H]3C(N)=O)S[C@H]12 27427380 IMZPGNARDPMXHS-PHGVODHVSA-N 341.389 -0.856 0 1 EBAF CO[C@]12OC/C(=C3\C(=O)N(C)CC[C@]3(C)C(=O)CCC[C@@H]1O)[C@@H]2O 140000587 ZVQQIQCUQVSFRY-HEXURQSRSA-N 339.388 -0.001 0 1 EBAF 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0 1 EBAF OC[C@H]1O[C@@H](Oc2ccc(Cc3ncc[nH]3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 14444053 PVXWBKJKWJZGQJ-NZBFACKJSA-N 336.344 -0.821 0 1 EBAF endogenous,in-man NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O 34114378 PCWLNNZTBJTZRN-RWMBFGLXSA-N 340.424 -0.572 0 1 EBAF biogenic Cc1ccc(S(=O)(=O)NCn2nnc(C(=O)O)c2C(=O)O)cc1 95593697 WLEMJYQETVLQHT-UHFFFAOYSA-N 340.317 -0.081 0 1 EBAF CC(C)[C@@H]1C=C[C@](C)(O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1 95913495 JXMXFGPPBZXWNK-SWZHBTMOSA-N 332.393 -0.845 0 1 EBAF biogenic,in-vitro C[C@@H](CCc1ccc(O)cc1)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14503201 KLLYDTMVSVIJEH-SOWXLJQZSA-N 328.361 -0.470 0 1 EBAF in-vitro N[C@H](Cc1c(-c2nnnn2Cc2ccccc2)o[nH]c1=O)C(=O)O 28644195 XWQKLMRSKCSFNI-SNVBAGLBSA-N 330.304 -0.376 0 1 EBAF C=C=CCOc1ccc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 49109633 PLHYONMLZLAVMD-NQNKBUKLSA-N 338.356 -0.277 0 1 EBAF CCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1 169317086 UGVHPWJOUJHZFV-QWRGUYRKSA-N 326.397 -0.952 0 1 EBAF O=C1N[C@H]2CCCC[C@H]2N2NN[C@@H](C(=O)NCCc3cccs3)[C@@H]12 618011920 CIHOPUGAUIUSJY-DGAVXFQQSA-N 349.460 -0.090 0 1 EBAF COc1ccc(CC[C@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356648519 FGIRFSQAJATKED-JZMHTTPVSA-N 342.388 -0.167 0 1 EBAF Cc1cc(C)cc(-c2n[nH]c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n2)c1 169311040 QXLYZLDMRJTFBG-RKQHYHRCSA-N 335.360 -0.397 0 1 EBAF CC(C)=CC[C@@H](O)/C(C)=C\CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 256080010 PBPYEEMQIFDGSQ-SENZTVQMSA-N 332.393 -0.534 0 1 EBAF OCC(CO)(CO)N=c1nc(-c2ccncc2)[nH]c2cnccc12 1857579339 ZOBZTNONBIVPBE-UHFFFAOYSA-N 327.344 -0.364 0 1 EBAF CC(C)=C[C@@H]1CC=C(CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=O)O1 2356419288 MKXVLYPJBLBGIO-GNIPQWQFSA-N 344.360 -0.989 0 1 EBAF CO[C@@H]1O[C@H](Oc2cc(O)cc(C)c2C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356611029 HHIIXLFEQMLCPQ-BJUWDHJGSA-N 330.289 -0.811 0 1 EBAF NC(=O)NC(=O)C[C@@H]1NC(=O)C(=Cc2c[nH]c3ccccc23)NC1=O 2356849338 PVGDIYLDSVXOJN-LBPRGKRZSA-N 341.327 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COc1cc(C=CC(=O)O[C@@H]2[C@H](O)O[C@H](C)[C@@H](O)[C@H]2O)ccc1O 2356481343 NASHUJVUBDVGDN-PABSMWASSA-N 340.328 -0.215 0 1 EBAF COCCn1c(=O)c(NC(=O)CN)c2n(c1=O)C[C@@H](C(C)C)N2 82206685 UTMPBNIRBYGFAP-VIFPVBQESA-N 325.369 -0.996 0 1 EBAF OC[C@@H]1O[C@H](Oc2cccc3c(O)ccc(O)c23)[C@@H](O)[C@H](O)[C@@H]1O 86040864 PUKLOSMRXIAWPE-AMMHQNNLSA-N 338.312 -0.570 0 1 EBAF in-man Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@@H](NC3COC3)[C@@H]2O)cc1 2356287524 LBMDEJOQTNIDJP-ILXRZTDVSA-N 342.417 -0.610 0 1 EBAF COCc1cn(C[C@@H]2C[C@H](NCc3nccn3C)[C@@H](O)[C@H]2O)nn1 2356415881 ZWTSJFGLSVKMKX-HQRZJTNHSA-N 336.396 -0.942 0 1 EBAF C=C=CCOc1ccc(CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356429255 PLHYONMLZLAVMD-BPKGMFCQSA-N 338.356 -0.277 0 1 EBAF O=C(/C=C\c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]1O 13409829 BMRSEYFENKXDIS-BVFKHYORSA-N 338.312 -0.352 0 1 EBAF CC1=C(C(=O)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1 33833312 LBTAFDHXNSPZSZ-QLDIZCGWSA-N 346.376 -0.607 0 1 EBAF biogenic,in-vitro CC(=O)[C@@H](Nc1cc(O)c(N[C@H](C(=O)O)[C@@H](C)O)cc1O)C(=O)O 169717711 GBCUHZTZJFNBIW-ZSCXHOBISA-N 342.304 -0.202 0 1 EBAF CC(C)(O)[C@@H]1CC=C(CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1 2356510475 BCTBHOXCGJDKFZ-JEWKUQAESA-N 332.393 -0.700 0 1 EBAF Cc1ccc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1Br 4185495 DERFFWPLVQTHEZ-CLPYTZEMSA-N 348.193 -0.031 0 1 EBAF Nc1ncn(C(=O)NCCCCCCNC(=O)n2cnc(N)n2)n1 1772613575 YDQNVDPRWVSJBQ-UHFFFAOYSA-N 336.360 -0.590 0 1 EBAF COc1ccc(CNC(=O)C[C@@H]2C[C@@H]3O[C@H](CN)[C@@H](O)[C@@H]3O2)cc1 2356290297 OKPWWUTWLBLNML-AZGDMVHKSA-N 336.388 -0.054 0 1 EBAF CC=CC=CC(=O)N[C@H](C)[C@H](O)C[C@H](N)CC(=O)NCCC(=N)N 2356423947 HGBIYXQMCATWPJ-FRRDWIJNSA-N 339.440 -0.466 0 1 EBAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)CC2=O 587483064 QSYOXOSMIUCCIK-KBUPBQIOSA-N 326.345 -0.247 0 1 EBAF CC(C)[C@@]1(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)CC=C(CO)CC1 14588771 WBDMFFSFFQSHFV-CIUQCDBWSA-N 332.393 -0.700 0 1 EBAF endogenous,in-man CC(=O)O[C@@H]1[C@H](CO)O[C@@H](n2ccc(=S)[nH]c2=O)[C@@H]1OC(C)=O 14766441 DWESYQZKKPERHY-JTLRNRKASA-N 344.345 -0.341 0 1 EBAF biogenic COCC(=O)N1CCN2C(=O)[C@H](Cc3cccs3)NC(=O)[C@H]2C1 25415150 CXFZSNQZMWBVKB-NWDGAFQWSA-N 337.401 -0.525 0 1 EBAF biogenic Nc1ncnc2c1ncn2[C@@H]1C=C[C@@H](P(=O)(O)O)O[C@@H]1CO 28764078 BNJXYJOZVCEFRX-BWZBUEFSSA-N 327.237 -0.599 0 1 EBAF CN(C)C(=O)C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 95871728 MCBNDGPNXCMKOC-MCIONIFRSA-N 326.393 -0.308 0 1 EBAF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ncc[nH]c-2n1 587222367 SXNDLJGWBPUJNG-RNFRBKRXSA-N 336.308 -0.871 0 1 EBAF CC=C(C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O 2356532407 XOEAXQFWXCUHKH-ZLCQRPCESA-N 346.376 -0.721 0 1 EBAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@H](NC(=O)c4ccco4)CO[C@@H]32)nn1 2356852001 QLYOGPANLOAAGD-FPQZTECRSA-N 348.315 -0.205 0 1 EBAF COc1ccc2c(c1)[n+]([O-])c(NCCCN1CCOCC1)n[n+]2[O-] 101100589 CNXBCFXTGWTIQO-UHFFFAOYSA-N 335.364 -0.356 0 1 EBAF 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CC12CCC(CC1)[C@](C)(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)O2 2356485326 BGHMHTHMLDKWCL-SXTZUKEISA-N 332.393 -0.459 0 1 EBAF COc1cc(/C=C/C(=O)OC[C@@H]2O[C@H](O)[C@H](O)[C@H]2O)ccc1O 13512010 BDEXCUQHBTVULQ-QSXNICAGSA-N 326.301 -0.604 0 1 EBAF in-vitro OC[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](N2CCOCC2)[C@@H]1O 20464764 WYHSHELRUJUCSP-YYIAUSFCSA-N 340.395 -0.263 0 1 EBAF biogenic Cc1cn([C@H]2C[C@@H](F)[C@@H](COCP(=O)(O)O)O2)c(=O)[nH]c1=O 26497069 HQVRLAUZOITBHR-IWSPIJDZSA-N 338.228 -0.378 0 1 EBAF CC(=O)O[C@@H]1C[C@@](C)(O)[C@]2(O)C=C[C@H](O)[C@@]2(C)[C@@H]2OC(=O)[C@@H](C)[C@H]12 95909198 OPRXYCSDSGOXEZ-RCRRSPMWSA-N 340.372 -0.081 0 1 EBAF biogenic,in-vitro N[C@@H]1NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1/C=C/Br 169320764 YFBOGONHXWBJEE-PHHMTBNLSA-N 334.170 -0.443 0 1 EBAF C[C@H]1CC[C@@H]([C@@H](C)CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1C(=O)O 257490314 NCBSGBLITRBNGW-XYUJNXFZSA-N 348.392 -0.814 0 1 EBAF endogenous,in-man COC(=O)[C@]1(O)C[C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O1)[C@@H]2O 2356415996 DSTUYTPBURYTNI-ZPFNRVMVSA-N 338.312 -0.378 0 1 EBAF COCC(=O)N[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1cc(-c2ccccn2)nn1 2356506725 OMWDYMWXXZHSTA-XOUADPBQSA-N 345.359 -0.190 0 1 EBAF Nc1nc2c(ncn2/C=C2\C[C@@]2(CO)COP(=O)(O)O)c(=O)[nH]1 28522240 SQZGLGQWGAQMCL-SZHMKSFOSA-N 343.236 -0.966 0 1 EBAF CC(C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@H]1CC=C(CO)CC1 86035349 JLDWWSSQBYGULG-TVDPOAAXSA-N 332.393 -0.700 0 1 EBAF in-man CCOn1cc(C[C@@]2(O)C(=O)O[C@@H]3[C@@H](O)CO[C@@]32O)c2ccccc21 6010375 DRGYHSLUSCNXAW-ABFRBSLYSA-N 349.339 -0.632 0 1 EBAF CC12CCC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)(CC1)C(C)(C)O2 15169404 XFTUHHQPFOUYRF-TYQYGDALSA-N 332.393 -0.317 0 1 EBAF endogenous,in-man OC[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)CN1Cc1c(F)c(F)c(F)c(F)c1F 27211017 VYPGXPLGHYHIRV-UQIHICMWSA-N 343.248 -0.359 0 1 EBAF CC(C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H]1CC=C(CO)CC1 86035342 JLDWWSSQBYGULG-RBTXIFOQSA-N 332.393 -0.700 0 1 EBAF in-man CO[C@H](C)[C@](O)(C(=O)OC[C@@H]1CCN2CC[C@H](O)[C@@H]12)C(C)(C)O 238746150 XAVJHWWXMYRTDC-OHHDELOUSA-N 331.409 -0.478 0 1 EBAF CO[C@@H]([C@@H](O)[C@@H](O)CO)[C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963475020 YTMJPECZNWSZKG-XKNKYKOPSA-N 341.360 -0.930 0 1 EBAF NC(=O)C1CCN([C@@H]2[C@H]3OC[C@@H](O3)[C@H](NCC3CC3)[C@H]2O)CC1 2356837521 LKEJNFKVQORJLY-SRTKAIALSA-N 325.409 -0.964 0 1 EBAF CN1CCN([C@@H]2[C@H]3OC[C@@H](O3)[C@H](NCc3ccncc3)[C@H]2O)CC1 2356861553 UKJHHENOBNGWLQ-HMDCTGQHSA-N 334.420 -0.728 0 1 EBAF CCOC(=O)C1=C(C)C2[C@H]3C(=O)NC(=O)[C@@H]3C1(C)[C@H]1C(=O)NC(=O)[C@H]21 5824075 DQHZYZKPZAYQIF-CRQJUNMWSA-N 346.339 -0.707 0 1 EBAF C[C@H](C/C=C/C(C)(C)O)CCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 85645998 ZCDKJIRLFSPIQI-QREAHKDTSA-N 334.409 -0.454 0 1 EBAF in-man COc1ccc(N2C(=O)O[C@@H]3[C@H](O)[C@H](O)[C@@H](CO)O[C@H]32)c(O)c1 2356533952 VFHXJBGPZUFKGZ-SYLRKERUSA-N 327.289 -0.835 0 1 EBAF CN1CCO[P@@]1(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21 26468056 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0 1 EBAF O=S1(=O)C[C@H](N2CCN(CCO)CC2)CN1Cc1ccccc1 72134805 ALFGWGPOFGQALD-MRXNPFEDSA-N 339.461 -0.190 0 3 EBAF COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@@H](O)C(=O)O)ccc1O 14720651 XIWXUSFCUBAMFH-CHULQOHASA-N 326.257 -0.144 0 1 EBAF endogenous,in-man Cc1cccc2oc(=O)cc(O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)c12 238737235 PPQQTWHDPXUTNZ-XZINFULNSA-N 338.312 -0.720 0 1 EBAF CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 238747354 CDLLSTYIGWYNLF-IBEHDNSVSA-N 342.344 -0.908 0 1 EBAF CC=Cc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(OC)c1 2356392580 HBQGHTRBYUFZLV-USRAEIGSSA-N 340.328 -0.001 0 1 EBAF COc1cc(C=CC(=O)O[C@H]2[C@H](O)[C@H](O)O[C@@H](C)[C@H]2O)ccc1O 2356413714 IXCNPLVGVYCNDZ-KFFKLXLCSA-N 340.328 -0.215 0 1 EBAF C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@@H]1O 2356437100 HCDVRGBGXHEPCR-XHJXRLMESA-N 326.345 -0.262 0 1 EBAF CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@H]1C(=O)NCCc1ccccc1 13778757 RFTNJWOYPLIOEB-NWANDNLSSA-N 347.371 -0.455 0 1 EBAF N[C@@H](CC1=C/[N+](=C\C=C2\C=C(C(=O)O)N[C@H](C(=O)O)C2)C=N1)C(=O)O 30726489 OROLDOQHKPWCGQ-JQWIXIFHSA-O 349.323 -0.904 0 1 EBAF in-vitro COC(=O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238782462 LNRJPFZEOOOQOH-MYXURULXSA-N 340.328 -0.949 0 1 EBAF COCc1cn(C[C@@H]2C[C@H](NC(=O)c3ccccc3)[C@@H](O)[C@@H]2O)nn1 2356457328 MPVIVJGSSFJWAI-ARLBYUKCSA-N 346.387 -0.035 0 1 EBAF C[C@@H](CCC(=O)c1ccoc1)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356614316 PTJJGQRFZDZMRD-UQKLJIQZSA-N 344.360 -0.305 0 1 EBAF O=C([C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2)N1CCCNCC1 45339623 RFVQFABKJSQTCC-BZUAXINKSA-N 345.399 -0.039 0 1 EBAF Cc1ccc(C(C)(C)O)cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356488028 WPQBQXITRFCMNT-QKGCVVFFSA-N 328.361 -0.599 0 1 EBAF O=C(NC1CCCCC1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cncn2)[C@H]1O 2356606945 JWWIBWMTUOTLKI-POQQGIQPSA-N 337.380 -0.064 0 1 EBAF CC=CC=CC(=O)NC[C@H](O)C[C@H](N)CC(=O)NCCC(=N)N 2356721775 OAXPQNCOMDEHMJ-NWDGAFQWSA-N 325.413 -0.854 0 1 EBAF Cn1cccc1-c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 13673104 BSTGSZYKPQFUCH-QGMIFYJMSA-N 331.332 -0.557 0 1 EBAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cccnc2[nH]1)C(=O)O 587218854 IRTAEKWGUXMTSN-IONNQARKSA-N 335.320 -0.738 0 1 EBAF COCCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@H]1S[C@H](C)C(C)=O 618016395 WCXDCPMQGMWMAY-KEPMVKOISA-N 330.410 -0.591 0 1 EBAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(O)nc(N)nc2[nH]1 586936942 BQPATLBSROZHCB-YFKPBYRVSA-N 338.353 -0.586 0 1 EBAF CC(=O)OCC(F)(COC(C)=O)Cc1c(C)c(=O)[nH]c(=O)n1C 72127868 NUHSOJAIELGNLA-UHFFFAOYSA-N 330.312 -0.241 0 1 EBAF COCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)CCN2 82204786 HYOGFGLOIQESEX-UHFFFAOYSA-N 331.332 -0.271 0 1 EBAF O=C(C[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)Nc1ccc(F)cc1F 169320613 ZCHKLYSCVDAJAX-HNTFPEDGSA-N 333.287 -0.864 0 1 EBAF O=C1CC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(O)cccc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in-vitro C/C(=C\CC[C@@H](C(=O)O)[C@@H]1CN(C[C@@H](O)CCO)C(=N)N1)CO 96915261 OVBUHDGPEBMHDL-AREVOFGUSA-N 329.397 -0.642 0 1 EBAF COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@]12CCCO2 165994449 OKJOQEQDZTVEBV-LSIGNJCPSA-N 337.336 -0.783 0 1 EBAF C[C@@H]1O[C@H](Oc2coc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@H]1O 257618882 XCVOCJFOQNDTNC-RUJSIZJFSA-N 340.284 -0.590 0 1 EBAF CC(=O)O[C@@H]1C=CC=C2C[C@@]34S[C@@](CO)(C(=O)N3[C@@H]21)N(C)C4=O 2356721875 QTPKPCAJWYFVSQ-PKIAMQTDSA-N 336.369 -0.381 0 1 EBAF C[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2O1 2356808713 ZCLIKZVRIIQMIP-BSYQHTNTSA-N 326.301 -0.436 0 1 EBAF CN(C)S(=O)(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2c1 586886240 FACRCUZEEKEUEW-UWVGGRQHSA-N 329.334 -0.708 0 1 EBAF CC(C)(C)OC(=O)N1[C@H](CO)C[C@@H](O)[C@@H]1n1ccc(=O)[nH]c1=O 40395830 YAYSFCWLRAQSBF-IQJOONFLSA-N 327.337 -0.602 0 1 EBAF CC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2)CN1C(=O)CN 43122620 GNBLZICAKJXKIV-KGLIPLIRSA-N 332.404 -0.131 0 1 EBAF C[C@]1(n2cnc3c(NC4CCCC4)ncnc32)O[C@H](CO)[C@@H](O)[C@H]1O 48998515 NENOABRBUVWXMP-VSBTWAGUSA-N 349.391 -0.034 0 1 EBAF Cc1cncc2nc(C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c12 587221872 QXMJXFOOJPRBBR-DTWKUNHWSA-N 349.347 -0.430 0 1 EBAF 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27319191 FMNHCSCQESVKNL-UHFFFAOYSA-N 332.364 -0.156 0 1 EBAF CC(=S)NCCCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)O 72126199 HCTPADBPJJMWAO-QXEWZRGKSA-N 346.453 -0.485 0 1 EBAF CCSc1nc(N)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 17314299 DGWWZVIRZLXJCZ-GIDNPQMSSA-N 327.366 -0.868 0 1 EBAF COC(=O)[C@H](Cc1ccc(OC)c(O)c1)NC(=O)[C@@H](N)CC(=O)O 27417554 WKNTWZRAICRXLK-UWVGGRQHSA-N 340.332 -0.597 0 1 EBAF O=C1N=C(c2cnccn2)N(NS(=O)(=O)c2ccccc2)C1=O 40860798 QXLHCWZQZLCTBY-UHFFFAOYSA-N 331.313 -0.515 0 1 EBAF O=C(Cc1c[nH]c2ccccc12)OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O 59066766 DKHLXGMLDJKOFU-AKSVOJBYSA-N 337.328 -0.947 0 1 EBAF in-vitro CC1=C[C@H](O)[C@@](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)(C(C)C)CC1 95913493 JMDWDRGHOPRHGO-RARVGVHXSA-N 332.393 -0.701 0 1 EBAF biogenic,in-vitro O=c1[nH]cnc2c(CN[C@H](CO)C[C@@H](F)P(=O)(O)O)c[nH]c12 96282356 DCJJDURILVHHAK-YUMQZZPRSA-N 334.244 -0.435 0 1 EBAF CN(C)C(=O)c1ccc2c(c1)[C@]1(C=C(C(=O)O)C[C@@H](O)[C@@H]1O)NCC2 962937349 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EBAF O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)n1Cc1ccccc1 34059481 BQPMAFKIDWZUQO-NMFUWQPSSA-N 336.319 -0.353 0 1 EBAF C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2cc[nH]n2)c2c(N)ncnc21 84689762 CWPKRLBNQHXJQX-NZQZLILVSA-N 346.347 -0.595 0 1 EBAF COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@]12CCCO2 165994689 OKJOQEQDZTVEBV-AMJCQUEASA-N 337.336 -0.783 0 1 EBAF COC(=O)[C@]1(O)C[C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O1)[C@H]2O 2356415995 DSTUYTPBURYTNI-VBTGVMJWSA-N 338.312 -0.378 0 1 EBAF C[C@H](CC(=O)c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356688019 IYTNOOAYQFJKRN-FWJITKEKSA-N 342.344 -0.830 0 1 EBAF CO[C@]1(CC(C)C)OC[C@]2(O)[C@@H]3CC[C@](C)(O)[C@H](O)[C@@H]3O[C@@]12O 2356406117 NGTUFCAUEDFMDI-ILJVOIDVSA-N 332.393 -0.254 0 1 EBAF CC(=O)NCCNC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C 618013131 IZKGRZNYPHHTFC-ITDIGPHOSA-N 333.392 -0.553 0 1 EBAF CO[C@H]([C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21)[C@H](O)[C@@H](O)CO 963475019 YTMJPECZNWSZKG-VNUKXSOBSA-N 341.360 -0.930 0 1 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CO[C@@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@H]12)C(C)(C)O 4916183 ZNEMYFCJOCCUJN-YPHNTLSLSA-N 329.393 -0.558 0 1 EBAF OC[C@H]1O[C@@H](n2cnc3c(-c4nccs4)ncnc32)[C@H](O)[C@@H]1O 13673085 QMLWZHDRSPITRY-ZRFIDHNTSA-N 335.345 -0.439 0 1 EBAF COCCN1CCC[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1=O 95379417 WEUANHKNPWOHNB-MRXNPFEDSA-N 334.376 -0.129 0 1 EBAF O=[P@@]1(O)O[C@H]2[C@H](O1)[C@H](CO)O[C@H]2n1cnc2c(O)ncnc21 2356497576 SBJVDTBACUMFFD-PERBPWGJSA-N 330.193 -0.694 0 1 EBAF CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)CC(C)C)O[C@H](CO)[C@H](O)[C@H]1O 2356697040 GNXFLWHEWHXBDS-CKTDYHTKSA-N 346.376 -0.107 0 1 EBAF O=C(N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@H](O)[C@H]1O)c1cncnc1 2356713960 XNKASDHXCMKDLM-DWZYQQQCSA-N 344.375 -0.514 0 1 EBAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N)c3ccccc3)[C@H]2OC1 28008457 OSYPMVKMNCWIIC-FIXISWKDSA-N 331.328 -0.272 0 1 EBAF CNS(=O)(=O)c1cc(S(=O)(=O)NC)c2cccnc2c1O 299836439 GUQITIAKBNTZJR-UHFFFAOYSA-N 331.375 -0.243 0 1 EBAF 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COc1c(N2CC[C@@H](N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 28884456 JFMXVEXEGIJVCH-MRVPVSSYSA-N 349.366 -0.103 0 1 EBAF CN1[C@H]2C[C@H](S(C)(=O)=O)[C@H]1[C@@H]1CN(c3ccccn3)C[C@@H]1[C@H]2O 1911576630 UIZVMWZRGHQRJC-SGIWDBDZSA-N 337.445 -0.006 0 1 EBAF CN1C(=O)[C@H]2C[C@H](O)CN2C2(CN(Cc3ccccc3F)C2)C1=O 2356290953 GLQBJSAULPLXBK-GXTWGEPZSA-N 333.363 -0.186 0 1 EBAF COC(=O)CC[C@@H]1CNC(=O)[C@@H]2[C@H](CCN2Cc2ncc[nH]2)N1C 2356298288 MULIAZPZYCEFIP-XUJVJEKNSA-N 335.408 -0.264 0 1 EBAF CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCCNC(=N)N 14651392 ZXZKRYZJMLNJBU-LSDHHAIUSA-N 347.419 -0.319 0 1 EBAF biogenic O=C(O)COCC(=O)N1CCN2C(=O)c3ccccc3NC(=O)[C@@H]2C1 4222686 HCIXEANGNULQFG-LBPRGKRZSA-N 347.327 -0.607 0 1 EBAF biogenic OC[C@@H]1O[C@H](Oc2ccc(Cc3ncc[nH]3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 14444054 PVXWBKJKWJZGQJ-TXUJKZCJSA-N 336.344 -0.821 0 1 EBAF endogenous,in-man COC(=O)[C@@H](CNC(=O)[C@H](N)CC(=O)O)C(=O)OC1CCCC1 27641456 PECCEXRXOWQDOT-NXEZZACHSA-N 330.337 -0.820 0 1 EBAF 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CC1=CC[C@](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)(C(C)C)C[C@H]1O 86035270 HLDKDYHDZWXFNX-PLEMRLBDSA-N 332.393 -0.701 0 1 EBAF in-man CCCSc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 105058080 CBOHCFKUQKUAQU-IQEPQDSISA-N 341.393 -0.478 0 3 EBAF CC(=O)N/C=C/[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)O)[C@H]2C1 5160006 FWWJFXYMDLTDNO-PERSRJMJSA-N 342.373 -0.360 0 1 EBAF in-vitro C[C@H]1O[C@@H](n2cnc3c(N)nc(O[C@H]4CCOC4)nc32)[C@H](O)[C@@H]1O 73222611 FQWQSWSGNVKUCC-ACRKESDDSA-N 337.336 -0.785 0 1 EBAF COc1cc(CCC=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 95100125 FFOITFMTIAQEDL-IBEHDNSVSA-N 342.344 -0.995 0 1 EBAF CN(C)C(=O)C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1 95798285 MCBNDGPNXCMKOC-IHRRRGAJSA-N 326.393 -0.308 0 1 EBAF Nc1ccc2cc(O[C@H]3O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)ccc2c1 2356543733 SIXWRBPVFRUCAK-NJURLYQPSA-N 335.312 -0.307 0 1 EBAF C[C@@H]1NC(=O)CCCCCC[C@@H](C(=O)O)NC(=O)[C@H](C)NC1=O 13489560 VVYAQBKHUJSQSM-DCAQKATOSA-N 327.381 -0.081 0 1 EBAF 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CC(=CC=CC[C@@H](C)C(=O)O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356348657 AEXJDSDOWQJVOT-ULSDXFBPSA-N 346.376 -0.584 0 1 EBAF O=C1C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 7998722 WQEPDKPELISSRA-FYTLGAJZSA-N 337.372 -0.513 0 1 EBAF CNC(=O)[C@H]1S[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O 13525775 JPMMQQWPKSNQLI-LKCKTBJASA-N 344.784 -0.856 0 1 EBAF C/C(=C/CC/C(C)=C/CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)CO 15120291 XZHWSTJFHFQEOY-QZQHUMMTSA-N 332.393 -0.532 0 1 EBAF endogenous,in-man Cc1nn(CNCCN2CCNCC2)c(=O)n1CCCn1ccnc1 103171779 KTDVQSLWPFGRBK-UHFFFAOYSA-N 348.455 -0.908 0 1 EBAF NS(=O)(=O)c1cc2cc(C(=O)NC[C@H](O)CO)sc2s1 1894444 HCUVEKKNJNJSOJ-LURJTMIESA-N 336.416 -0.307 0 1 EBAF Nc1ncnc2c1cc(Br)n2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 5932820 KKSZEMHICOMLHV-FCKMSMMTSA-N 345.153 -0.613 0 1 EBAF COC/C=C/c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1 85910758 NZZJDBVBBHYGQX-GZTIFWKZSA-N 326.345 -0.475 0 1 EBAF in-man C[P@](=O)(O)C[C@]12C[C@@H]1[C@@H](n1cnc3c(N)ncnc31)[C@H](O)[C@@H]2O 101931393 STTWRMLIBKNRSR-KSQAWJTCSA-N 339.292 -0.409 0 1 EBAF COC(=O)NCc1ccc(O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)cc1 238757201 VONHIBQETRIZNS-LNNRFACYSA-N 327.333 -0.251 0 1 EBAF CC[C@H](C)c1cc(O)cc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 238775047 QWDZAIPHGHHAJD-UWGRSKJGSA-N 344.360 -0.210 0 1 EBAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)O[C@H]([C@@H](O)CO)[C@H]2O 587531700 KYYPQHOKQREHRY-ZDRJDWQYSA-N 348.351 -0.091 0 1 EBAF C[C@@H]1C(=O)[C@H](C)[C@@]2(C)[C@]3(COC3=O)[C@@](C)(O)[C@H]3C[C@@]12[C@@H](O)C(=O)O3 2356578760 DQVXSLVZHUMFCN-CLLFOCTBSA-N 338.356 -0.182 0 1 EBAF CN(C)CCN(C)[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](NCc2cccn2C)[C@@H]1O 2356849781 PXTDBFMKIWNGRE-NRKLIOEPSA-N 338.452 -0.539 0 1 EBAF C[C@H](CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O)C(=O)O 2356863676 USEJNLPKVXGAOO-CSMHCCOUSA-N 336.366 -0.798 0 1 EBAF CC1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)C3CC3)[C@H](O)[C@@H]2O)CC1 2356875563 ZRIJLSWCIDECBT-XNISGKROSA-N 340.420 -0.350 0 1 EBAF O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 149513794 KRKMNGLGYXJMBZ-YLOLIOOTSA-N 340.284 -0.945 0 1 EBAF COC(=O)CCCC(=O)N[C@H](Cn1cncn1)CP(=O)(O)O 26179930 AOGATPYMVMBHGD-SECBINFHSA-N 334.269 -0.716 0 1 EBAF CNc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12 28764261 FPCPEWCTMNCASH-XEMBYONJSA-N 325.756 -0.204 0 1 EBAF OC[C@@H]1O[C@@H](Oc2ccc(Cc3ncc[nH]3)cc2)[C@@H](O)[C@H](O)[C@@H]1O 85877476 PVXWBKJKWJZGQJ-BPKBQXTESA-N 336.344 -0.821 0 1 EBAF in-man CC(=O)N[C@H](CS[C@@H](CCO)[C@@H](O)CCCCCO)C(=O)O 2356743865 IMNYBILIOIHKJI-AGIUHOORSA-N 337.438 -0.027 0 1 EBAF COC[C@@H]1CCCN1C(=O)CC[C@@H]1CNC(=O)[C@H]2NCC[C@H]2N1C 2356860030 UAVKRIGSONVUBG-CTASWTNQSA-N 338.452 -0.435 0 1 EBAF O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1OCc1ccccc1 1642546 DTSODSYNNLANCF-IACUBPJLSA-N 334.328 -0.244 0 1 EBAF CC(=O)CCc1ccc(O)c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1 13339778 LMPCSMHAJDXHSV-CQJMVSDSSA-N 342.344 -0.908 0 1 EBAF endogenous,in-man O=C(COc1ccccc1)N1CCN2C(=O)N(CCO)C(=O)[C@@H]2C1 25433774 RUMLKMHKODLCJU-ZDUSSCGKSA-N 333.344 -0.467 0 1 EBAF biogenic N[C@@H](CC[S@](=O)Cc1ccc(C(=O)NCC(=O)O)cc1)C(=O)O 27092268 DDRQSSRKJKZZLT-BSNNYGBQSA-N 342.373 -0.448 0 1 EBAF COc1nc(N)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@@]12CCCO2 165997009 OKJOQEQDZTVEBV-JXJZFNHCSA-N 337.336 -0.783 0 1 EBAF Nc1nc(O)c2ncn([C@@H]3C=C[C@@H](P(=O)(O)O)O[C@H]3CO)c2n1 253674460 UIBLKTYKIBXPIF-DSYKOEDSSA-N 343.236 -0.894 0 1 EBAF CC(=O)N1C[C@H]2COCCN2C2(C1)CN(C(=O)N1CCOCC1)C2 2356582841 YSPSGBOJHWIIHP-AWEZNQCLSA-N 338.408 -0.944 0 1 EBAF CC(C)=CCNc1ncnc2c1nnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1760946 XUAVLXATQAUGDR-IDTAVKCVSA-N 336.352 -0.789 0 1 EBAF N=C(N)c1ccc(C2=NO[C@@H](CC(=O)NC[C@H](N)C(=O)O)C2)cc1 13763296 WWCQBRITAOUTQT-MNOVXSKESA-N 333.348 -0.618 0 1 EBAF CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(-c3cccnc3)nn2)[C@H]1O 35965638 AFHDRFIWILRWQN-HTOAHKCRSA-N 338.389 -0.317 0 1 EBAF CO[C@H]1C[C@H](OC)O[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1O 238768405 SXIOJEVKCQPWHX-GPFBYYQYSA-N 336.381 -0.351 0 1 EBAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)O[C@H]([C@H](O)CO)[C@@H]2O 587531699 KYYPQHOKQREHRY-NYCLONFESA-N 348.351 -0.091 0 1 EBAF Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@@H](NC3COC3)[C@H]2O)cc1 2356287526 LBMDEJOQTNIDJP-QLFBSQMISA-N 342.417 -0.610 0 1 EBAF CC(C)[C@@H]1C=C[C@@](C)(O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1 2356662876 JXMXFGPPBZXWNK-AELAOQJQSA-N 332.393 -0.845 0 1 EBAF Nc1ncnc2c1nc(-c1ccccc1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 79841440 VPKLCUYVISQZJY-DFANHVJVSA-N 343.343 -0.313 0 3 EBAF NCCCC[C@H](N)C(=O)NCCCNCCCCNCCCN 3964492 XTNRHIZWLNLONB-HNNXBMFYSA-N 330.521 -0.743 0 1 EBAF COC/C=C/c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 14505134 NZZJDBVBBHYGQX-NJDTYGOQSA-N 326.345 -0.475 0 1 EBAF endogenous,in-man CCOc1c2c(cc3c1C(=O)N[C@@H]1C3=C[C@H](O)[C@@H](O)[C@H]1O)OCO2 40406480 WJQKPJWVGBQGDX-KKBFJBPOSA-N 335.312 -0.594 0 1 EBAF CC1(C)[C@H]2CC(=O)[C@@]1(C)[C@@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C2 104364149 XBXUOFIJMNLOGI-SBXPQVNOSA-N 330.377 -0.803 0 1 EBAF in-man CC(C)c1cccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(=O)c1 238756961 USAYKYINDRTKDO-QMHWVQJVSA-N 326.345 -0.651 0 1 EBAF COc1cc(C(=O)O)cc(OC)c1O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O 2356612229 ZBFCDPOKIFSNQU-PMCGLCICSA-N 344.316 -0.392 0 1 EBAF O=C(CS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)Nc1ccccc1 4134455 JTMBSMVFQCBNSW-LPUQOGTASA-N 329.374 -0.842 0 1 EBAF CCCc1c(O)ccc2c1OC1(CC2=O)C(=O)[C@@H](O)C(=O)[C@H](O)C1=O 587481968 NVDAOKFVJNNAEF-STQMWFEESA-N 348.307 -0.509 0 1 EBAF C[C@@H](CN1C(=O)c2nccnc2C1=O)N1C(=O)c2nccnc2C1=O 1772571827 GYAINEYFGILMFB-ZETCQYMHSA-N 338.283 -0.453 0 1 EBAF CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 2356519457 CDLLSTYIGWYNLF-DGADGQDISA-N 342.344 -0.908 0 1 EBAF CC=Cc1ccc(OC)c(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1 2356593802 XEKKPJUFIFGIJW-LEOABGAYSA-N 326.345 -0.093 0 1 EBAF CN(C)CCN(C)[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](NCc2ccccn2)[C@@H]1O 2356813815 BUTAAJWVGSLBIT-NRKLIOEPSA-N 336.436 -0.482 0 1 EBAF N[C@@H](Cc1c(-c2nnnn2Cc2ccccc2)o[nH]c1=O)C(=O)O 28644192 XWQKLMRSKCSFNI-JTQLQIEISA-N 330.304 -0.376 0 1 EBAF CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)O 39830064 SOYWRINXUSUWEQ-DLOVCJGASA-N 345.396 -0.455 0 1 EBAF in-vitro NC(=O)c1cn2cc(-c3cnc(N)nc3)nc(N3CCOCC3)c2n1 84688802 TVJKETGEPHVIPX-UHFFFAOYSA-N 340.347 -0.296 0 1 EBAF O=c1nc(O)ccn1COCCO[P@](=O)(O)CP(=O)(O)O 1857534448 TZOYRRJSTYKIAR-UHFFFAOYSA-N 344.153 -0.740 0 1 EBAF COc1cc(/C=C\CO[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)ccc1O 15113413 JOIDTHZGWZZGMU-WWIMLQMKSA-N 342.344 -0.770 0 1 EBAF endogenous,in-man CC1(C)C(=O)[C@@]2(C)C[C@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)[C@@H]1C2 85851790 WZIIAEDQDFVGCF-VMJRHKHASA-N 330.377 -0.803 0 1 EBAF in-man CNC[C@H](O)COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1857538515 KNFWAPJGAORRJG-ZDUSSCGKSA-N 343.449 -0.418 0 1 EBAF COCc1cn(C[C@@H]2C[C@H](NC(=O)c3cccnc3)[C@H](O)[C@@H]2O)nn1 2356396304 GYYIQXDPHBGWPF-MHEUCROKSA-N 347.375 -0.640 0 1 EBAF Nc1ncnc2c1ncn2[C@H]1O[C@H]2CO[P@](=O)(O)O[C@H]2[C@@H]1O 1609621 IVOMOUWHDPKRLL-CMEPRQAFSA-N 329.209 -0.817 0 1 EBAF COCC(=O)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO 95677333 BHRCWANBCSKYFS-MELADBBJSA-N 326.393 -0.164 0 1 EBAF O=C(O)[C@]1(O)C=C(c2cn(Cc3cccs3)nn2)[C@@H](O)[C@H](O)C1 169329871 SELLXOCFSLUGHF-BZPMIXESSA-N 337.357 -0.288 0 1 EBAF CC(=O)N1CCC(N[C@@H]2[C@H]3CO[C@@H](O3)[C@H](n3ccnc3)[C@H]2O)CC1 2356419295 MPRBVWNEUJDQTC-SUJAAXHWSA-N 336.392 -0.491 0 1 EBAF COC(=O)CC[C@@H]1CNC(=O)[C@@H]2[C@@H](CCN2C2CCOCC2)N1C 2356833128 IEQQAKDXGKWGFU-FMKPAKJESA-N 339.436 -0.008 0 1 EBAF O=C1NCCC[C@H]1NC(=O)[C@H]1CNCCN1C(=O)c1cccc(F)c1 25430298 FQTUTOMKYBXKMN-ZIAGYGMSSA-N 348.378 -0.366 0 1 EBAF biogenic Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CSCCF)[C@@H](O)[C@@H]1O 26575851 OYMAPKKTJSEOTI-UKHPNBTGSA-N 329.357 -0.270 0 1 EBAF COC(=O)[C@@H](CNC(=O)[C@H](N)CC(=O)O)C(=O)OC1CCCCC1 27651107 HUSWTSBONQFLJN-GHMZBOCLSA-N 344.364 -0.430 0 1 EBAF O=C(C[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)Nc1ccc(F)cc1F 27443442 ZCHKLYSCVDAJAX-SAUGFPQOSA-N 333.287 -0.864 0 1 EBAF CN(C)CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO 95796943 JZGSDBGZUFYFKG-MGPQQGTHSA-N 327.425 -0.511 0 1 EBAF Cc1ccc(-c2noc(N)c2S(N)(=O)=O)cc1S(N)(=O)=O 1772634696 RSIDZAKDVUGKLQ-UHFFFAOYSA-N 332.363 -0.473 0 1 EBAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NC(C)C)[C@H](O)[C@@H]2O1 2356289459 WAQKSLBVYZATBA-ZZVJUGKHSA-N 343.424 -0.104 0 1 EBAF COC/C=C/c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1 85910756 NZZJDBVBBHYGQX-MAAGRFRRSA-N 326.345 -0.475 0 1 EBAF in-man O=c1[nH]cnc2c1c(-c1ccco1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 103249460 PUFZLFOWXIWZCZ-SDBHATRESA-N 333.300 -0.404 0 1 EBAF CC1(C)C(=O)[C@]2(C)C[C@@H]1C[C@H]2O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 104360412 NSQBEKJIIBBOAS-NBYKEMABSA-N 330.377 -0.803 0 1 EBAF in-man O=C(/C=C/c1ccc(O)cc1)O[C@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O 104860701 BMRSEYFENKXDIS-OQGYHKKQSA-N 338.312 -0.352 0 1 EBAF O=c1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2F)c(=O)n1Cc1ccccc1 105529197 BQPMAFKIDWZUQO-REBRKWNGSA-N 336.319 -0.353 0 1 EBAF C[C@H]1CC[C@H]([C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1C(=O)O 238758734 NCBSGBLITRBNGW-FIYAMZEZSA-N 348.392 -0.814 0 1 EBAF COc1cc(OC)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c(OC)c1 253651134 LRAFWJRAEFYZRU-BFYSQQLMSA-N 330.333 -0.773 0 1 EBAF CN(C)S(=O)(=O)c1cccc2nc([C@@H](N)CP(=O)(O)O)[nH]c12 586920783 YCAFENPAGLGPHF-ZETCQYMHSA-N 348.321 -0.009 0 1 EBAF CC1(C)O[C@]2(C)CC[C@@H]1C[C@@H]2O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O 618006295 NWZYTZHMCGWGOF-WSYYXBPLSA-N 332.393 -0.461 0 1 EBAF CC(C)N1C[C@H]2COCCN2C2(CN(C(=O)N3CCOCC3)C2)C1 2356321758 RLZAYLAVJDXRAO-HNNXBMFYSA-N 338.452 -0.082 0 1 EBAF O=c1[nH]c(=O)n([C@@H]2C[C@H](F)[C@H](COP(=O)(O)O)O2)cc1Cl 26723136 SYEIDRSIIIFBFG-ACZMJKKPSA-N 344.619 -0.075 0 1 EBAF Cc1cn([C@@H]2CSC3(COP(=O)(O)OC3)O2)c(=O)[nH]c1=O 28224790 YFVBROPAWXSVRQ-ZETCQYMHSA-N 336.262 -0.049 0 1 EBAF CC1=CC[C@](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)(C(C)C)C[C@@H]1O 34649182 HLDKDYHDZWXFNX-BVHJZBIISA-N 332.393 -0.701 0 1 EBAF biogenic,in-vitro O=C(O)[C@H]1O[C@@H](Oc2cccc3ccc(=O)oc23)[C@H](O)[C@@H](O)[C@@H]1O 238768808 UGCXHNMVZFRPBN-BPJKLTAVSA-N 338.268 -0.936 0 1 EBAF C[C@H](CC=CC(C)(C)O)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356342791 ZCDKJIRLFSPIQI-JSLGZRHDSA-N 334.409 -0.454 0 1 EBAF CC(=O)NCCNC(=O)CCCn1c(=O)[nH]c2ccsc2c1=O 2601722 MDDCXZIDOYJEDU-UHFFFAOYSA-N 338.389 -0.216 0 1 EBAF O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1OCc1ccccc1 5955938 DTSODSYNNLANCF-UBHSHLNASA-N 334.328 -0.244 0 1 EBAF C[C@H](C/C=C/C(C)(C)O)CCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 15120782 ZCDKJIRLFSPIQI-LNWLTMPISA-N 334.409 -0.454 0 1 EBAF endogenous,in-man CSc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O 72122629 XIQIPZWIUDQJEM-GSWPYSDESA-N 327.366 -0.868 0 1 EBAF CCCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1 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345.465 -0.804 0 1 EBAF CC(=O)NC[C@@H]1OC[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O 2356717545 ASUWAAYZRYVKPD-QLFBSQMISA-N 342.417 -0.556 0 1 EBAF C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O 35303429 CDBXVDXSLPLFMD-BPNCWPANSA-N 349.387 -0.158 0 1 EBAF CC(C)NC(=O)NCC[C@H]1CC[C@H](NC(=O)CN(C)C)[C@H](CO)O1 95908159 FRJVFPJDQFXUHI-RDBSUJKOSA-N 344.456 -0.330 0 1 EBAF OC[C@H](O)[C@@H](O)c1nc2cc(I)cnc2[nH]1 586891465 QOTKEROYCPGEFP-NKWVEPMBSA-N 335.101 -0.051 0 1 EBAF COc1ccc(Cl)c2c1CCN[C@@H]2[C@H](F)[C@@H](O)[C@H](O)[C@H](O)CO 963256159 AUIRNKBRDDKWMC-FDHZTJNISA-N 349.786 -0.052 0 1 EBAF O=c1c2cnc(N3CCOCC3)[nH]c-2cn1[C@H]1CCS(=O)(=O)C1 1857583791 LHCICKMCBBUOSI-JTQLQIEISA-N 338.389 -0.128 0 1 EBAF O=C1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)NC2CC2)N1 1857596343 OSUSFOBLJWODNK-KGLIPLIRSA-N 343.383 -0.160 0 1 EBAF COCC(=O)N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@H](O)[C@@H]1O 2356292890 AUHPXOCBRCYMIG-AVRGHOLYSA-N 347.375 -0.787 0 1 EBAF 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CC1(C)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N1C(=O)CN 28524036 KNUZCBVWBGSPRA-IUCAKERBSA-N 329.353 -0.851 0 1 EBAF in-vivo Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@]1(F)Br 1857597400 JTUCAFQVRHFYFB-TWJUVVLDSA-N 348.132 -0.280 0 1 EBAF CC1=C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@](O)(C(C)C)CC1 2356376331 RNAAXOMQMFFENE-GBIHRFPISA-N 332.393 -0.701 0 1 EBAF N=C1NC(=O)C(=C[C@H](O)CNC(=O)c2cc(Br)c[nH]2)N1 2356423731 DGOLYPALKIXHIE-LURJTMIESA-N 342.153 -0.594 0 1 EBAF Cc1csc(-c2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)n1 33814856 UEVROUDNJQKVJJ-IVZWLZJFSA-N 325.346 -0.391 0 1 EBAF NC(=O)CC[C@H](NC=CC1=CC(C(=O)O)=N[C@H](C(=O)O)C1)C(=O)O 2356781292 AVPNZDGHYJHSHV-WPRPVWTQSA-N 339.304 -0.883 0 1 EBAF CCN(C)[C@@H]1CN(Cc2cn(CCCOC)nn2)S(=O)(=O)C1 96020982 FQJZGJALOSGZSJ-CYBMUJFWSA-N 331.442 -0.220 0 3 EBAF Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H]2O[P@](=O)(O)O[C@@H]12 1529414 KMYWVDDIPVNLME-WDHZHIADSA-N 329.209 -0.817 0 1 EBAF in-man,metabolite 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Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)C[S@](=O)C(C)C 5352733 RVSZUIXUXSXYCO-LBHIWQPGSA-N 343.405 -0.981 0 1 EBAF O=C(Nc1ccc2ccccc2c1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 261311343 YMBPHLVKRRBNTQ-IBEHDNSVSA-N 348.355 -0.239 0 1 EBAF CCN1C(=O)C2=C3CO[C@@](OC)([C@H](O)CCCC[C@@]21[C@H](C)O)[C@@H]3O 2356470917 HZAGKVVIDYIRRV-PNERCRGJSA-N 341.404 -0.067 0 1 EBAF O=C(CCc1ccccc1)CO[C@@H]1[C@@H](O)[C@H](O)[C@H](O)O[C@@H]1CO 2356603244 DCBUWEXPZBPSDO-OLMNGRFOSA-N 326.345 -0.995 0 1 EBAF CC1=CC[C@](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)(C(C)C)C[C@@H]1O 2356636402 HLDKDYHDZWXFNX-ZWMPHZAGSA-N 332.393 -0.701 0 1 EBAF Nc1nc2c(c(-c3ccco3)cn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 103249438 QWTULIOKSFHWAK-IDTAVKCVSA-N 348.315 -0.822 0 1 EBAF Cn1c(=O)c2c(nc3n2CCN(CCn2cccc2)C3)n(C)c1=O 1857572846 NSQNWVPBSQYBSI-UHFFFAOYSA-N 328.376 -0.249 0 1 EBAF O=c1[nH]c(=O)n(C[C@@]2(CO)C[C@@H]2CO)cc1/C=C/Br 6344 DEHJQHRBLHIAEO-KWQMBOBNSA-N 331.166 -0.107 0 1 EBAF NNC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O 2523249 OKBOVBAFPDBZQF-UHFFFAOYSA-N 333.739 -0.320 0 1 EBAF O=C(NC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)c1ccccc1 28527555 QQQSWGIWUWRXMN-SCRDCRAPSA-N 331.328 -0.385 0 1 EBAF NC(=O)c1cccc([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c1 105500506 QTPHDABYULBTRC-YTWAJWBKSA-N 333.233 -0.944 0 1 EBAF C[S@@](=O)C[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O 1857744032 VLJNGHUAYPHYSO-FMTYATFCSA-N 347.784 -0.940 0 1 EBAF COC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc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c3ncccn3)CC2)CN1)N1CC[C@@H](F)C1 40899943 ZVJAHPKIYVGDHR-ILXRZTDVSA-N 348.426 -0.101 0 1 EBAF Cc1nccc2[nH]c(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)nc12 587222686 TUEMSHLKVBAIOB-WPRPVWTQSA-N 349.347 -0.430 0 1 EBAF O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1OCCc1ccccc1 5955944 ZJJFIMAIGKXEKX-QEJZJMRPSA-N 348.355 -0.201 0 1 EBAF CCc1cc2c(O)nc(O)nc2nc1CC(=O)N[C@H]1CCOC1=O 587555627 QSNNBKGBXVFUFI-VIFPVBQESA-N 332.316 -0.027 0 1 EBAF CS(=O)(=O)NC[C@@H]1OC[C@@H](NCc2ccc(C(=O)O)cc2)[C@@H]1O 2356288144 XDUGBQXEKFVXLR-AGIUHOORSA-N 344.389 -0.848 0 1 EBAF CS(=O)(=O)NC[C@@H]1OC[C@H](NCc2ccc(C(=O)O)cc2)[C@H]1O 2356288147 XDUGBQXEKFVXLR-RWMBFGLXSA-N 344.389 -0.848 0 1 EBAF O=C(Nc1cccnc1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cncn2)[C@H]1O 2356296996 PKAVRHKZHICOPG-BNDIWNMDSA-N 332.320 -0.480 0 1 EBAF COc1cc(C(=O)O)cc(OC)c1O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O 2356458305 JSQBDDYDFTZJQM-ZURSNBDQSA-N 330.289 -0.780 0 1 EBAF CNc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](COP(=O)(O)O)O1 2356552339 MGKYNCZAQIZDCV-PRJMDXOYSA-N 345.252 -0.374 0 1 EBAF OCc1ccc(CN[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](N3CCOCC3)[C@H]2O)o1 2356852330 QPKSUNGYGHKTGL-OWYFMNJBSA-N 340.376 -0.953 0 1 EBAF CC(C)[C@]1(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC=C(CO)CC1 2356485167 WBDMFFSFFQSHFV-TWHJKIGZSA-N 332.393 -0.700 0 1 EBAF CC(C)N1CC2(C1)C(=O)N(Cc1cccnc1)C(=O)[C@H]1C[C@@H](O)CN12 2356636373 GIQUJMAMDRAPNQ-HUUCEWRRSA-N 344.415 -0.152 0 1 EBAF CC=CC=CC(=O)NC[C@@H](O)C[C@@H](N)CC(=O)NCCC(=N)N 2356721774 OAXPQNCOMDEHMJ-NEPJUHHUSA-N 325.413 -0.854 0 1 EBAF CC(=O)N/C=C/[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@@H]([C@H](C)O)[C@H]2C1 5763296 OLJZNOCSKZHZQJ-MMZXSPRBSA-N 328.346 -0.750 0 1 EBAF CC(=O)n1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c2ccccc21 15206363 BVTHTINNTYALID-YIDVYQOGSA-N 337.328 -0.520 0 1 EBAF O=C(O)/C=C/c1ccc(O[C@]2(C(=O)O)C[C@@H](O)[C@H](O)[C@H](O)C2)cc1 238732643 FMTHOTDCTGZPGI-OTCYKTEZSA-N 338.312 -0.137 0 1 EBAF NS(=O)(=O)c1ccc(CCN2C(=O)c3nccnc3C2=O)cc1 1772582281 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CQVOPOHHLMXOPW-UHFFFAOYSA-N 334.361 0.073 0 1 EBAF COC(=O)[C@]1(O)c2c(oc3cc(CO)cc(O)c3c2=O)CC[C@@H]1O 2356717200 JYINNDQRROYTKO-MEDUHNTESA-N 336.296 -0.341 0 1 EBAF NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1 29486095 RUUGHIGMBFKHMT-KBPBESRZSA-N 332.404 -0.543 0 1 EBAF COc1cccc(CN2CC3(C2)C(=O)N(C)C(=O)[C@H]2C[C@H](O)CN23)c1 2356363841 NBRLSANDBBBFLQ-DZGCQCFKSA-N 345.399 -0.317 0 1 EBAF CN(C)c1cnn(CC(=O)N2CCN(C[C@H]3CCCO3)CC2)c(=O)c1 20774432 LPJNFYMDFOEKMT-OAHLLOKOSA-N 349.435 -0.368 0 1 EBAF COC(=O)[C@]12C=CCC[C@@]1(O)O[C@@]1(CCC=C[C@@]1(O)C(=O)OC)O2 85918263 CMWOPTLOKFKJEC-KLHDSHLOSA-N 340.328 -0.066 0 1 EBAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cnccc2[nH]1 587217990 DUQYGJJHCARIRH-APPZFPTMSA-N 335.320 -0.218 0 1 EBAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3CCOCC3)[C@H](O)[C@H]2O1 2356290651 YJYRKKFRBZCGQC-QZLJAVCYSA-N 342.436 -0.045 0 1 EBAF COc1ccc(CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1OC 2356661611 IRZNSDOJKREJKN-QKGCVVFFSA-N 330.333 -0.980 0 1 EBAF COC(=O)CNC(=O)C1CCN(S(=O)(=O)c2c[nH]cn2)CC1 15951882 WFWYNFYKNBQDCD-UHFFFAOYSA-N 330.366 -0.900 0 3 EBAF O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1COCC(F)(F)F 1629891 ZDSMEJQUASEOOJ-YIZRAAEISA-N 340.254 -0.744 0 1 EBAF CCOC(=O)[C@@H](CCC(=O)N[C@@H]1CCCNC1=O)NC(=O)CC 15258311 VVFWZJAFYTZHAI-GHMZBOCLSA-N 327.381 -0.381 0 1 EBAF biogenic C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN(C)CC(=O)N(C)C)S[C@H]12 27418923 GGIWTWOCHVYAMG-LIEFSGRHSA-N 343.405 -0.785 0 1 EBAF Nc1ncnc2c1ncn2[C@@H]1OC[C@H](OCP(=O)(O)O)[C@H]1F 1772636573 GDBZHXYCOOQRGE-BAJZRUMYSA-N 333.216 -0.204 0 1 EBAF CC(=S)N[C@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O 1857652418 ZGDUYWNUGXJQKW-KJWHEZOQSA-N 327.402 -0.052 0 1 EBAF O=C(NC1CCCCC1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cncn2)[C@@H]1O 2356606946 JWWIBWMTUOTLKI-RGDJUOJXSA-N 337.380 -0.064 0 1 EBAF C[C@@H]1[C@H](Oc2cc3ccc(=O)oc3cc2O)O[C@H](CO)[C@@H](O)[C@@H]1O 2356608097 CUCSYTPRRKFDKQ-PDEPVTOTSA-N 338.312 -0.048 0 1 EBAF COc1ccc(N2C(=S)N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(N)=O)[C@H]32)cc1 2356817743 DMZWZACHNOUCFP-OBPIAQAESA-N 337.401 -0.646 0 1 EBAF COc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O 73140214 VKODXQPVZDKDDZ-GSWPYSDESA-N 330.728 -0.510 0 1 EBAF COc1cccc(N2C(=O)CS[C@H]2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1 103178817 YHUUAZVRHYXOKJ-IKSZGEOFSA-N 341.385 -0.417 0 1 EBAF Nc1ncnc2c1ccn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@@H]2[C@H]1O 256689992 LCYHXWIEMRESTK-HGIWHZBTSA-N 328.221 -0.212 0 1 EBAF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cnnc(O)c3[nH]2)c1 586934910 ASFVADPEUOFOFI-UHFFFAOYSA-N 348.344 -0.511 0 1 EBAF CC1(C)C(=O)[C@]2(C)C[C@H]1C[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14452717 NSQBEKJIIBBOAS-PDFWLOGHSA-N 330.377 -0.803 0 1 EBAF endogenous,in-man Cc1cn([C@@H]2C[C@@H](O)[C@@H](CSCCC(=O)O)O2)c(=O)[nH]c1=O 27717472 PLJKSZDUSRLDNR-BBBLOLIVSA-N 330.362 -0.299 0 1 EBAF CO[C@@H]1O[C@@H](CS[C@@H](C(=O)O)c2ccccc2)[C@H](O)[C@H](O)[C@@H]1O 95539822 VBLYGXOHYUYCDZ-JVFXBBKESA-N 344.385 -0.001 0 1 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NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(N)ncc3[nH]2)c1 586936192 NWVUHDBBFBESSM-UHFFFAOYSA-N 346.372 -0.029 0 1 EBAF CCCc1c(O)ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1CO 2356312897 NASYVOUZAPPGAE-DGADGQDISA-N 344.360 -0.984 0 1 EBAF C[C@H](CSC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)O)C(=O)O 2356863675 USEJNLPKVXGAOO-BWZBUEFSSA-N 336.366 -0.798 0 1 EBAF COCCN1CCC[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1=O 95379418 WEUANHKNPWOHNB-INIZCTEOSA-N 334.376 -0.129 0 1 EBAF NS(=O)(=O)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1 587970921 OOLWBHZWIIYZSZ-PSVAKVPMSA-N 325.302 -0.291 0 1 EBAF O=C1c2nccnc2C(=O)N1CCCN1C(=O)c2nccnc2C1=O 1772619230 IFELNBFTNSQRRB-UHFFFAOYSA-N 338.283 -0.451 0 1 EBAF Nc1ncnc2c([C@@H]3N[C@H](CSCCO)[C@@H](O)[C@@H]3O)c[nH]c12 26978311 DTDFUHGOMSJFHK-OAIFWDMCSA-N 325.394 -1.000 0 1 EBAF CC(=O)CCc1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1 85909496 IDONYWHRKBUDOR-UYJHQMFVSA-N 326.345 -0.613 0 1 EBAF in-man 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EBAF O=C(O)C1CN(c2cc(-n3[nH]cc(-n4ccnc4)c3=O)ncn2)C1 96176109 DFADBYAZNRSFSX-UHFFFAOYSA-N 327.304 -0.338 0 1 EBAF Cc1cncc2nc(C[C@@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c12 587221874 QXMJXFOOJPRBBR-RKDXNWHRSA-N 349.347 -0.430 0 1 EBAF COCCN1C[C@@H](CO)O[C@@H](n2cnc3c(N(C)C)ncnc32)C1 61897488 YZCZVVXDMYEALF-NWDGAFQWSA-N 336.396 -0.270 0 3 EBAF COC(=O)C[C@H]1C=C[C@@H](C(C(=O)OC)C(=O)OC)CN1C(C)=O 61931264 TUODGVGAUBQNRA-GHMZBOCLSA-N 327.333 -0.085 0 3 EBAF COC/C=C/c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 14505128 NZZJDBVBBHYGQX-YQTLTGMLSA-N 326.345 -0.475 0 1 EBAF endogenous,in-man O=[N+]([O-])c1nccn1CCS(=O)(=O)NCCN1CCOCC1 145224958 QANDADJGUXGHOM-UHFFFAOYSA-N 333.370 -0.957 0 1 EBAF C[C@@H]1CC[C@@H](C(C)(C)O)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)C1 2356452603 WFMMSESEUZVZOV-QTXIMBNBSA-N 348.392 -0.529 0 1 EBAF O=C(C[C@@H]1O[C@H](CNCc2ccccn2)[C@H](O)[C@H]1O)N1CCCC1 2356843805 NPOWFOSNEJIHCI-FSDCSDTHSA-N 335.404 -0.327 0 1 EBAF CC(C)C[C@@H](N)C(=O)N[C@@H](CCCN)CC(=O)NN(C)CC(=O)O 14612673 DOTQAYWMWCUEBC-NWDGAFQWSA-N 345.444 -0.979 0 1 EBAF biogenic COC(=O)[C@@]1(O)c2c(oc3cccc(O)c3c2=O)C[C@H](OC)[C@H]1O 15258135 DKCFLWCWQILBFZ-DRZCJDIDSA-N 336.296 -0.209 0 1 EBAF in-vitro Nc1ncnc2c1ncn2[C@H]1O[C@H](/C=C/P(=O)(O)O)[C@@H]1CO 29572053 XIIIESXPDITNDF-IGPGFEAESA-N 327.237 -0.394 0 1 EBAF CCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O 39417757 RETXURAWYRMEDR-BKWHQTBESA-N 337.336 -0.629 0 1 EBAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccccc3)[C@@H]2OC1 40526046 OSYPMVKMNCWIIC-ZETOZRRWSA-N 331.328 -0.272 0 1 EBAF CCCCNc1nc(N)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49018940 MFNISXJZVSFJQI-HMMKDHSLSA-N 338.368 -0.768 0 1 EBAF CNS(=O)(=O)NCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586943337 ROVVLQUTNAYLEM-UHFFFAOYSA-N 347.422 -0.633 0 1 EBAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3CCOCC3)[C@@H](O)[C@H]2O1 2356290649 YJYRKKFRBZCGQC-CTTHAOKLSA-N 342.436 -0.045 0 1 EBAF COCC(=O)N1CCN2C(=O)[C@@H](Cc3cccs3)NC(=O)[C@H]2C1 25415157 CXFZSNQZMWBVKB-VXGBXAGGSA-N 337.401 -0.525 0 1 EBAF biogenic CCn1ncc(NC(=O)Cn2ncc(N3CCOCC3)cc2=O)n1 23380156 ZFXGZPWSMURMEH-UHFFFAOYSA-N 333.352 -0.670 0 1 EBAF CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@@H]1C(=O)N1[C@@H](C)CC[C@@H]1C 27883925 PHYBFKLXQMCMNU-RSOVMYGHSA-N 325.365 -0.415 0 1 EBAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccccc3)[C@H]2OC1 28008449 OSYPMVKMNCWIIC-ZIBATOQPSA-N 331.328 -0.272 0 1 EBAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NC(C)C)[C@@H](O)[C@@H]2O1 2356289456 WAQKSLBVYZATBA-CWFCOSEVSA-N 343.424 -0.104 0 1 EBAF COC(=S)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cc1 261499526 ZOIAMMQYAZSWRX-YGEXGZRRSA-N 343.401 -0.086 0 1 EBAF endogenous,in-man N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cccnc2[nH]1)C(=O)O 587218851 IRTAEKWGUXMTSN-APPZFPTMSA-N 335.320 -0.738 0 1 EBAF COCC(=O)N1CCN2C(=O)[C@@H](Cc3cccs3)NC(=O)[C@@H]2C1 4260061 CXFZSNQZMWBVKB-NEPJUHHUSA-N 337.401 -0.525 0 1 EBAF biogenic CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)[C@@H](C)CO 26648209 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CON(C)C(=O)/C=C/C[C@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)[S@@](=O)[C@H]12 25963273 NODZXNWCPAUXPG-GMDDLFCCSA-N 344.389 -0.269 0 1 EBAF OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H](O)[C@H]1O 26569536 SQMWSBKSHWARHU-CKRXIKOQSA-N 335.364 -0.208 0 1 EBAF CO[C@@H]1O[C@H](Cn2cc(-c3ccc(C)cc3)nn2)[C@@H](O)[C@H](O)[C@@H]1O 96174758 KOQWXXFFCUSULR-RBGFHDKUSA-N 335.360 -0.292 0 1 EBAF CC(=O)OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 238767789 KYMAFSUPPGDNQZ-IBEHDNSVSA-N 342.344 -0.678 0 1 EBAF N[C@@H](CCC(=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O 13514845 FNGTUNXVLUYBPN-RYUDHWBXSA-N 332.360 -0.127 0 1 EBAF endogenous,in-man Cc1cn([C@@H]2C[C@H](O)[C@H](CSCCC(=O)O)O2)c(=O)[nH]c1=O 40511485 PLJKSZDUSRLDNR-GUBZILKMSA-N 330.362 -0.299 0 1 EBAF COC[C@@]1(C)O[C@](C)(n2cnc3c(=O)[nH]cnc32)[C@](C)(N)[C@@]1(C)O 95535530 KGUQTCLMMDDIIJ-KBXIAJHMSA-N 337.380 -0.304 0 1 EBAF CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 95566217 KKTJITWMMHTMGA-CABCVRRESA-N 334.420 -0.167 0 1 EBAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(F)Br 1857597287 JTUCAFQVRHFYFB-KXGJBYOTSA-N 348.132 -0.280 0 1 EBAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3CCC3)[C@H](O)[C@H]2O1 2356293440 HFCYISYWGKFSCP-IGNRKKQASA-N 328.409 -0.433 0 1 EBAF CCc1ccc2[nH]cc(OC(=O)[C@@H]3O[C@](O)(CO)[C@H](O)[C@H]3O)c2c1 2356481590 VCWKSEMDOAEEDE-DSJMHWKBSA-N 337.328 -0.563 0 1 EBAF COC(=O)[C@@H](C)NC(=O)[C@H]1CNCCN1C(=O)NC1CCCCC1 25417390 CECMLGUYBLSVFF-DGCLKSJQSA-N 340.424 -0.020 0 1 EBAF biogenic C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cccc(F)c1)C(=O)O 29410324 KCSJSWKNOVPZAO-AUTRQRHGSA-N 325.340 -0.211 0 1 EBAF C=C=CCOc1ccc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1 49054639 PLHYONMLZLAVMD-UHDSXZAQSA-N 338.356 -0.277 0 1 EBAF CC(C)(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC=C(CO)CC1 70455373 JLDWWSSQBYGULG-MZHQWRCYSA-N 332.393 -0.700 0 1 EBAF biogenic,in-vitro CC(C)[C@]1(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC=C(CO)CC1 257591137 WBDMFFSFFQSHFV-KLOLGFOXSA-N 332.393 -0.700 0 1 EBAF endogenous,in-man CC=C(C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)[C@H](O)CO)[C@@H]12 2356754301 UCZOPSUTRUWZNY-SYQHCUMBSA-N 327.377 -0.145 0 1 EBAF CN1CCN(C(=O)CC[C@@H]2CNC(=O)[C@H]3[C@@H](CCN3C)N2C)CC1 2356844422 NUWLDAFMILQYKJ-IIAWOOMASA-N 337.468 -0.957 0 1 EBAF Nc1[nH]cnc2c([C@H]3N[C@@H](CSCCF)[C@@H](O)[C@H]3O)cnc1-2 101008210 GIHKZOWRLFIQPI-JJMKBETCSA-N 327.385 -0.071 0 1 EBAF Cn1cnc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)(O)O[C@H]3[C@H]2O)c1=N 169332765 VNICACCBKGCUNY-IOSLPCCCSA-N 343.236 -0.977 0 1 EBAF O=c1ccn([C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n1CCc1ccccc1 2356795383 LYLFFZWTYHJLCZ-FMKPAKJESA-N 332.356 -0.107 0 1 EBAF COc1ccc(-c2c(O)ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2=O)cc1 95558581 GFWUONQZQQDPSU-DNNBLBMLSA-N 349.339 -0.159 0 1 EBAF CCNC(=O)C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 95905043 UBGBGRJMDWVBDG-MCIONIFRSA-N 326.393 -0.260 0 1 EBAF CC[C@@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3ccncc3)c2=O)N1 82208279 DDGRUWXPRGGNCY-LLVKDONJSA-N 344.375 -0.445 0 1 EBAF 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346.376 -0.607 0 1 EBAF biogenic,in-vitro CC(=O)c1c(C)cc(O)cc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356754485 GXLXFBBEKMNRQK-HUGQBSPZSA-N 328.317 -0.918 0 1 EBAF Nc1nc(O)c2cc(C(=O)N[C@H](CCC(=O)O)C(=O)O)ccc2n1 25968410 SSMOUEGPFAMXFY-SECBINFHSA-N 334.288 -0.035 0 1 EBAF NCCCNC(=O)OC[C@H]1O[C@H](n2ccc(N)nc2=O)CS1 26495376 OEWSGRDVFKOIAE-UWVGGRQHSA-N 329.382 -0.511 0 1 EBAF CN(C)S(=O)(=O)c1ccc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c2c1 586886241 FACRCUZEEKEUEW-VHSXEESVSA-N 329.334 -0.708 0 1 EBAF OC[C@H]1O[C@@H](n2cnc3c(-c4ccns4)ncnc32)[C@H](O)[C@@H]1O 1911571401 NQTVDVLVUINUPX-NNGGQVLBSA-N 335.345 -0.439 0 1 EBAF CC(C)NC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)NC3CC3)O[C@H]2[C@H]1O 2356288836 LMMBRYDENSPUBC-RKEKIRQTSA-N 341.408 -0.352 0 1 EBAF CCN1C(=O)C2=C3CO[C@@](OC)([C@H](O)CCCC[C@@]21[C@@H](C)O)[C@@H]3O 2356470916 HZAGKVVIDYIRRV-HQAOLORJSA-N 341.404 -0.067 0 1 EBAF COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@H]1CCCC[C@@H]1C 169296880 RUGUFJXPRLPZQY-GMOBBJLQSA-N 344.364 -0.432 0 1 EBAF 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COCC(=O)NC[C@@H]1OC[C@H](NCc2ccc(C(=O)O)cc2)[C@H]1O 2356287122 CMMDEPOBXZPOQH-KCQAQPDRSA-N 338.360 -0.635 0 1 EBAF COc1cc(/C=C/C(=O)OC[C@@H]2O[C@@H](O)[C@@H](O)[C@H]2O)ccc1O 58638356 BDEXCUQHBTVULQ-NNDRJBMQSA-N 326.301 -0.604 0 1 EBAF in-vitro C[S@](=O)CCCCC(=N)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238770646 HENJHBDLEUWCGF-WJECMCKFSA-N 341.451 -0.954 0 1 EBAF O=P(O)(O)CS(=O)(=O)CCCn1cnc2c(O)ncnc21 1857620971 KTJPYEJQAZKZTH-UHFFFAOYSA-N 336.266 -0.528 0 1 EBAF CN1CCN([C@@H]2[C@H]3OC[C@@H](O3)[C@H](NCc3ccccc3)[C@@H]2O)CC1 2356830172 JFDGWXIOUINGMK-FPSMNIFISA-N 333.432 -0.123 0 1 EBAF CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 95566215 AWNLKCFWKOGXSI-LSDHHAIUSA-N 343.387 -0.330 0 1 EBAF CCNC(=O)C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1 95905045 UBGBGRJMDWVBDG-IHRRRGAJSA-N 326.393 -0.260 0 1 EBAF NCCCC[C@H](N)C(=O)N1CCC[C@@H](C(=O)NCCC(=O)O)C1 13602882 IDKGSEXQIHVYLO-NEPJUHHUSA-N 328.413 -0.728 0 1 EBAF CC1(C)OC[C@@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OS(N)(=O)=O)O1 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CCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(N)=O 29394418 RRABLJWCDJBRLD-SRVKXCTJSA-N 340.424 -0.434 0 1 EBAF CC1=C(C(=O)O)C(C)(C)C[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)C1 238754325 WGDXUILXVFPOLD-QLDIZCGWSA-N 346.376 -0.607 0 1 EBAF CO[C@H]([C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21)[C@H](O)[C@H](O)CO 963475018 YTMJPECZNWSZKG-URWOTSEESA-N 341.360 -0.930 0 1 EBAF OC[C@@H]1O[C@@H](Nc2ccc(OC(F)(F)F)cc2)[C@H](O)[C@@H](O)[C@@H]1O 5139324 XIYLYQRUHQXBBZ-RNWYCLNJSA-N 339.266 -0.203 0 1 EBAF CS(=O)(=O)C1=S=Nn2c1nc1ccc(S(N)(=O)=O)cc12 72176757 XOCWXPYJIBWYEZ-UHFFFAOYSA-N 332.388 -0.751 0 1 EBAF CC1=CC[C@@](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)(C(C)C)C[C@H]1O 86035274 HLDKDYHDZWXFNX-PKDUHMPLSA-N 332.393 -0.701 0 1 EBAF in-man CO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC)[C@@H]1OC(C)=O 238769623 IXQWGAVVNQRNNI-XHJNMGKDSA-N 334.321 -0.201 0 1 EBAF CNC(=O)C1(N2CCC[C@@H]2C(=O)NCCN(C)C)CCOCC1 2356299124 YALFPNFXPALKIL-CYBMUJFWSA-N 326.441 -0.576 0 1 EBAF 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0 1 EBAF biogenic CC(=O)O[C@@H]1[C@@H](n2ccc(=S)[nH]c2=O)O[C@H](CO)[C@H]1OC(C)=O 238749052 DWESYQZKKPERHY-YJQGPUDQSA-N 344.345 -0.341 0 1 EBAF NS(=O)(=O)c1c(F)c(F)c(-n2cc(CO)nn2)c(F)c1F 299827680 GXJJZIMHFQIMHB-UHFFFAOYSA-N 326.231 -0.037 0 1 EBAF CC(C)C=CC[C@@H](C)C(=O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356381502 PMGOVJBRGAIEIV-IYOGYMKFSA-N 332.393 -0.390 0 1 EBAF OC[C@@H]1O[C@H](COCC=Cc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O 2356754720 UHRAPRFIEXTKGY-XFIYOXNOSA-N 326.345 -0.736 0 1 EBAF C/C(=C\O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@H]1CC[C@H](C)CC1=O 56874678 CMULNSPKSRFQAF-PPJQRKDFSA-N 330.377 -0.288 0 1 EBAF in-vitro COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1CCCC[C@H]1C 299846459 RUGUFJXPRLPZQY-KLBPJQLPSA-N 344.364 -0.432 0 1 EBAF O=C(NCC1(COc2cnccn2)C[C@H](O)[C@@H](O)C1)c1ccno1 2356482311 JJRWYARTPRTMQV-QWRGUYRKSA-N 334.332 -0.225 0 1 EBAF COc1ccc(C=CC(=O)O[C@H]2[C@H](O)[C@H](O)O[C@@H](C)[C@H]2O)cc1O 2356727529 KBRVSMBFJLKDNC-KFFKLXLCSA-N 340.328 -0.215 0 1 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Cc1ccc(-c2cn(C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1 73195835 FCPIPOVWEMZULO-OXGONZEZSA-N 335.360 -0.904 0 1 EBAF OC[C@@H]1O[C@H](Oc2ccc(Cc3ncc[nH]3)cc2)[C@H](O)[C@H](O)[C@@H]1O 85877461 PVXWBKJKWJZGQJ-LNNMMNKASA-N 336.344 -0.821 0 1 EBAF in-man CN(C)C(=O)C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 95677702 WYRQMVCVXSYSKJ-MCIONIFRSA-N 328.409 -0.084 0 1 EBAF NCCCCCCS[C@H]1O[C@H](COC(N)=O)[C@@H](O)[C@H](O)[C@@H]1O 169315788 XNALDZIPZUCAQJ-LDMBFOFVSA-N 338.426 -0.858 0 1 EBAF NCCOCCOCCc1nc2cccc(S(N)(=O)=O)c2[nH]1 587245778 FBYRZPGIOOLQNW-UHFFFAOYSA-N 328.394 -0.255 0 1 EBAF CN(CC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1)C(=N)N 13800603 RCMWOTCXCCDSQD-UHFFFAOYSA-N 342.406 -0.293 0 1 EBAF CC(C)(O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C1CCC(CO)CC1 14588488 KMNHZNJPIOZBEM-RMBCJRHDSA-N 334.409 -0.620 0 1 EBAF endogenous,in-man COC(=O)[C@H](O)[C@@H](C(=O)SC[C@H](NC(C)=O)C(=O)O)C(C)C 139478021 WSFRAWUTQCKTIT-LPEHRKFASA-N 335.378 -0.358 0 1 EBAF CCCN(CCC)C(=O)[C@@H]1OC(C(=O)O)=C[C@@H](N)[C@H]1NC(C)=O 27744752 ZXZWQHMARLSKTR-RAIGVLPGSA-N 327.381 -0.166 0 1 EBAF CCCCOC(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 49020371 QYWOCBLQFXTDKN-WJZNIJOASA-N 337.336 -0.629 0 1 EBAF O=C(C[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)Nc1ccc(F)cc1F 253649218 ZCHKLYSCVDAJAX-MYALOSSISA-N 333.287 -0.864 0 1 EBAF CC1=C[C@H](O)[C@@H](C(C)C)C[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356529591 MJSBJGMRWXOXGY-HBMRCODRSA-N 332.393 -0.845 0 1 EBAF CC1=COC(=O)[C@H]2[C@@H](C)CC[C@@]12O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 39051464 STBJMMNZWIBYJP-ORLCPPCRSA-N 344.360 -0.952 0 1 EBAF COc1ccc([C@@H]2O[C@@H]3[C@@H](O[C@H]2C)O[C@H](CO)[C@@H](O)[C@@H]3O)cc1 59151591 USUWYXHMWYBKFQ-VKUPVEMESA-N 326.345 -0.021 0 1 EBAF O=C(Nc1nnn[nH]1)c1ccc2oc(-c3nnn[nH]3)cc(=O)c2c1 169315165 XPJYTTWKXFGRRW-UHFFFAOYSA-N 325.248 -0.262 0 1 EBAF COC(=O)[C@H]1CC(=O)[C@@H](C(=O)OC)c2cc3c(O)nc(O)nc3nc21 587559906 OSTPOHIHJAPXHE-RCOVLWMOSA-N 347.283 -0.078 0 1 EBAF CCCN(C)S(=O)(=O)N(C)C[C@@H]1NC(=O)[C@@H]2SCC[C@H]2N1 618014488 RPHZILQFTHSGRS-OUAUKWLOSA-N 336.483 -0.576 0 1 EBAF Nc1ncnc2c1c(-c1cnccn1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1857568215 ZCYKZCDUSKRROQ-SDBHATRESA-N 344.331 -0.918 0 1 EBAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCC3)[C@@H](O)[C@@H]2O1)N1CCOCC1 2356295148 TXYZUKNDCUUEOY-AZGDMVHKSA-N 340.420 -0.337 0 1 EBAF COc1ccc(C=CC(=O)OC[C@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)cc1 2356644616 MTOYMHLXRWCTMD-GAUGTXIDSA-N 340.328 -0.949 0 1 EBAF O=C(O)CC[C@H](NC=CC1=CC(C(=O)O)=N[C@@H](C(=O)O)C1)C(=O)O 2356720718 HWOAHVAPMFFSAN-WCBMZHEXSA-N 340.288 -0.283 0 1 EBAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=C/P(=O)(O)O)[C@@H]1CO 29572051 XIIIESXPDITNDF-YUCMETMXSA-N 327.237 -0.394 0 1 EBAF CN(C/C=C\CN)C[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1O 40720258 WJXVWCZSTHQCKL-YYAQPZEXSA-N 333.396 -0.496 0 1 EBAF Nc1ncnc2c1ncn2[C@@H]1CO[C@H](COP(=O)(O)O)[C@@H](O)C1 58632395 YTRYYFQQGYRCHL-BIIVOSGPSA-N 345.252 -0.791 0 1 EBAF in-vitro NC[C@@H]1CN(C(=O)Cn2ncc(N3CCCCC3)cc2=O)CCO1 95516934 XEQPCCOQJPWPJP-CQSZACIVSA-N 335.408 -0.580 0 1 EBAF N=C(N)Nc1nc(CSCCNC2=N[S@](=O)N=C2N)cs1 253700172 JDKAFLSRQPKFCQ-OAQYLSRUSA-N 346.467 -0.381 0 1 EBAF NS(=O)(=O)c1cccc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c12 587970964 PNOLVVXOJUXJTQ-WHUPJOBBSA-N 325.302 -0.291 0 1 EBAF O=C(c1cccc(F)c1)N1CCN2C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H]2C1 12605206 YOEYUPNGJHNKJB-HZSPNIEDSA-N 347.346 -0.546 0 1 EBAF biogenic Nc1nc2nn(COCCCCCP(=O)(O)O)nc2c(=O)[nH]1 28016288 VZELQIWMEQWCRH-UHFFFAOYSA-N 332.257 -0.581 0 1 EBAF N[C@@H]1NC(=O)/C(=C2/CCNC(=O)c3[nH]cc(Br)c32)N1 101693019 IMEGXEIERXOCFE-ZPMKCOPCSA-N 326.154 -0.417 0 1 EBAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](O)C(=O)[C@@H](O)C1=O 587481966 NVDAOKFVJNNAEF-LAQFHYBYSA-N 348.307 -0.509 0 1 EBAF O=C(O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)c1cccc2ccccc12 2356432056 OKYREJBDWLOSDY-NLIDSEJHSA-N 348.307 -0.111 0 1 EBAF CC(C)C1=C[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@](C)(O)CC1 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COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2C(=O)C[C@@H](O)[C@H](O)CO 963576979 BYJOODLQGZGQJA-FILGICAGSA-N 339.388 -0.048 0 1 EBAF CCCCN1C(=O)[C@@H]2C[C@H](O)CN2C2(CN(Cc3cnc[nH]3)C2)C1=O 2356291023 ITKKHRZDZLNLLM-KBPBESRZSA-N 347.419 -0.432 0 1 EBAF CCCCO[C@@H]1C[C@@H](C(=O)NCCO)N(C(=O)c2cnccn2)C1 2492949 WVDBNOBGILCBEM-OCCSQVGLSA-N 336.392 -0.015 0 1 EBAF Nc1nc(I)nc2c1ncn2COCCO 13517112 HTKZIANYOZGRMK-UHFFFAOYSA-N 335.105 -0.021 0 1 EBAF C[C@@H](c1ccccc1)n1c(=O)ccn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O 49019868 BBDQKGPLANMMLR-RQWRSEQRSA-N 348.355 -0.769 0 1 EBAF CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)O 58591774 IJQLNBFUDDJYMK-LSJOCFKGSA-N 329.401 -0.630 0 1 EBAF C/C=C\c1ccc(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c(OC)c1 95099020 HBQGHTRBYUFZLV-YWOSOJOOSA-N 340.328 -0.001 0 1 EBAF biogenic,in-vitro C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)C(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O 238786302 DSTHABZRTODZRO-CFICYNRMSA-N 332.349 -0.497 0 1 EBAF 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330.377 -0.275 0 1 EBAF CCOC(=O)C1(C(=O)OCC)OC(C)=NC1(C(=O)OC)C(=O)OC 1862328 JJRYEOLFDTXBRR-UHFFFAOYSA-N 345.304 -0.615 0 1 EBAF COc1cc(/C=C\CO[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)ccc1O 15113415 JOIDTHZGWZZGMU-QNYAGVOGSA-N 342.344 -0.770 0 1 EBAF endogenous,in-man O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)C3CC3)CN21)NC1CC1 15708301 CAAJMJVLEFUOHQ-MJBXVCDLSA-N 334.420 -0.487 0 1 EBAF biogenic CCNC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 95904867 KKMDXYRRDMKCFC-BFHYXJOUSA-N 328.409 -0.036 0 1 EBAF CC(=O)NCCNC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C 618013130 IZKGRZNYPHHTFC-IFUGULHKSA-N 333.392 -0.553 0 1 EBAF CC(=CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@H](C)CC1=O 2356439049 CMULNSPKSRFQAF-FYNPZWNVSA-N 330.377 -0.288 0 1 EBAF NS(=O)(=O)C1C=CC(NC(=O)CCCN2CCOCC2)C=C1 49054370 ZFLRLLKTVXTRGE-UHFFFAOYSA-N 329.422 -0.633 0 1 EBAF CC(C)(O)[C@H]1CC[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1 238778961 IJJKRFDBPRPLQQ-UCGZNOEMSA-N 334.409 -0.620 0 1 EBAF 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CCCNC1=N[C@H]2[C@H](O[C@H]([C@@H](O)C(F)(F)F)[C@@H](O)[C@@H]2O)S1 167667946 MGEBPZJPXKZSNB-NTXXKDEISA-N 330.328 -0.173 0 1 EBAF NCCCCCCS[C@H]1O[C@H](CO)[C@@H](OC(N)=O)[C@H](O)[C@@H]1O 169315787 WGYQJCLBVMXHGA-RMPHRYRLSA-N 338.426 -0.858 0 1 EBAF O=C1N=C(Nc2ccccc2)N=C2[C@H]1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1 169319251 NKCIAXNYJIRBFY-UMSGYPCISA-N 343.343 -0.426 0 1 EBAF C[C@H](CO)c1ccc(CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356383766 YAYSGPJTOXZMMG-HIMXQRAGSA-N 328.361 -0.901 0 1 EBAF C[C@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 2356643593 YDYDFDAUGYHMIG-DXVQKHOVSA-N 326.301 -0.775 0 1 EBAF CC=C(C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)[C@@H](O)CO)[C@@H]12 2356754300 UCZOPSUTRUWZNY-RQJABVFESA-N 327.377 -0.145 0 1 EBAF N=C1N[C@@]2(O)CCCN3C(=O)c4cc(Br)cn4[C@]32N1 2356820083 FHZYMVHXJSPJHJ-GHMZBOCLSA-N 326.154 -0.073 0 1 EBAF O=C(O)[C@]1(O)C[C@H](O)[C@@H](O)[C@H](Oc2coc(=O)c3ccccc23)C1 2356736903 AFVBNGVOYSHQNS-IQDSPRDJSA-N 336.296 -0.128 0 1 EBAF CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1O 14976488 MYAWDXDLUZEXBG-KDBYPZKRSA-N 327.402 -0.105 0 1 EBAF CC1(C)O[C@@]2(C)CC[C@@H]1[C@@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C2 85701258 WPVRGZPCRCFTNS-WACGKVAQSA-N 332.393 -0.461 0 1 EBAF in-man CC(C)C1=C[C@H](O)[C@](C)(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1 2356479875 HDVPJYNBUXNSEW-UAIIHYSCSA-N 332.393 -0.701 0 1 EBAF Cc1ccc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1Br 4185503 DERFFWPLVQTHEZ-CKIKVBCHSA-N 348.193 -0.031 0 1 EBAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3n(C)cc[n+]3C)C[C@@H]12 27704842 HLXHIVSWUJVYOY-VDDIYKPWSA-O 338.409 -0.010 0 1 EBAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3COC[C@H]3CN)[C@H](C)[C@@H]12 29407252 DTNWDBNVPLMUMV-SYWHDRQISA-N 342.417 -0.153 0 1 EBAF C=C=CCOc1ccc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 140606280 PLHYONMLZLAVMD-UUAJXVIYSA-N 338.356 -0.277 0 1 EBAF CC1=C(c2ccc3nc([C@@H](O)[C@H](O)C(=O)O)[nH]c3c2)NNC(=O)C1 586893598 VXWSAMJBXARIQW-STQMWFEESA-N 332.316 -0.203 0 1 EBAF NC(=O)[C@]1(N)CC[C@H]2[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)O)[C@H]21 28474441 HEQCMQGCEOVFJB-SMXCXOSKSA-N 331.372 -0.363 0 1 EBAF CCOC(=O)C/N=c1\c(N2CCN(c3ccccn3)CC2)c(O)c1=O 102422699 KVFBSDNUGJOZFI-XMHGGMMESA-N 344.371 -0.187 0 1 EBAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]1CO 3917949 YHDKOVKCJODYNM-OXOINMOOSA-N 331.225 -0.976 0 1 EBAF in-vitro COC/C=C/c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 14505126 NZZJDBVBBHYGQX-KUKPOXKMSA-N 326.345 -0.475 0 1 EBAF endogenous,in-man CC1=CC[C@@](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)(C(C)C)C[C@@H]1O 14588765 HLDKDYHDZWXFNX-BLUOMHMPSA-N 332.393 -0.701 0 1 EBAF endogenous,in-man NCCCCNC(=O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)CS1 26493941 ACTLZZFXDVWKTJ-WDEREUQCSA-N 343.409 -0.121 0 1 EBAF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1Cc1c(F)c(F)c(F)c(F)c1F 38422106 VYPGXPLGHYHIRV-PLSZNQMNSA-N 343.248 -0.359 0 1 EBAF CN(C)C[C@@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O 40476769 YLEYZLIGAVKNLJ-QMMMGPOBSA-N 330.285 -0.510 0 1 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COc1cccc(N2C(=O)CS[C@@H]2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1 103178820 YHUUAZVRHYXOKJ-JSFFLRCESA-N 341.385 -0.417 0 1 EBAF CCCN(C)S(=O)(=O)N(C)C[C@@H]1NC(=O)[C@H]2SCC[C@H]2N1 618014489 RPHZILQFTHSGRS-VWYCJHECSA-N 336.483 -0.576 0 1 EBAF N=c1nc(O)c2nc(C=C[C@H](O)COP(=O)(O)O)cnc2[nH]1 2356611204 OSULHPDFAYTYOO-LURJTMIESA-N 329.209 -0.979 0 1 EBAF COc1ccc([C@@H]2O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3O[C@@H]2C)cc1 2356676577 USUWYXHMWYBKFQ-YSLLINBMSA-N 326.345 -0.021 0 1 EBAF CCNC(=O)C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 95794078 UBGBGRJMDWVBDG-MGPQQGTHSA-N 326.393 -0.260 0 1 EBAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1F 13544195 WMEBOUQKZKATDW-GQTRHBFLSA-N 349.215 -0.886 0 1 EBAF in-vitro N[C@H](Cc1nc2ccccc2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587220848 OECSMDCACHKFPH-KCJUWKMLSA-N 334.332 -0.133 0 1 EBAF COc1cc(/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](O)C(=O)O)ccc1O 14720653 XIWXUSFCUBAMFH-WEPHUFDCSA-N 326.257 -0.144 0 1 EBAF endogenous,in-man CC(=O)CCc1ccc(O)c(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1 15111890 LMPCSMHAJDXHSV-SUJAAXHWSA-N 342.344 -0.908 0 1 EBAF endogenous,in-man O=C(N[C@@H]1CCCNC1=O)[C@@H]1CNCCN1C(=O)c1cccc(F)c1 25430299 FQTUTOMKYBXKMN-KGLIPLIRSA-N 348.378 -0.366 0 1 EBAF biogenic NC(=O)[C@H]1CS[C@@H]2C[C@]3(CCCN3C(=O)[C@H]3CCCN3)C(=O)N12 27099307 SFJWAHQNPHLXCN-UYUMYWFVSA-N 338.433 -0.741 0 1 EBAF O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1CCCCCF 40835321 FVVJZRISZZWHSX-LSCVPOLPSA-N 334.319 -0.192 0 1 EBAF Nc1ncnc2c1ncn2[C@H]1C[C@H](N)[C@@H](COP(=O)(O)O)O1 58632620 CQMGILZSAPHZQF-RRKCRQDMSA-N 330.241 -0.867 0 1 EBAF in-vitro CC(C)[C@@H]1C=C[C@](C)(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)C1 2356432324 XRDWIDJQBPMTAE-MUCBWHSKSA-N 332.393 -0.845 0 1 EBAF O=C(O)c1ccccc1N[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1O 2356725998 PMFMJXPRNJUYMB-LMLFDSFASA-N 349.232 -0.647 0 1 EBAF N[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1nnnc1Oc1ccc2c(c1)OCO2 2356868596 XDPNVVQDAPBZPE-RQSQLSILSA-N 333.304 -0.140 0 1 EBAF CC(=O)CC(=O)NCCNC(=O)Cc1ccc2c(O)nc(O)nc2n1 587554163 JGSVYMWHMPQIBJ-UHFFFAOYSA-N 347.331 -0.810 0 1 EBAF CC(=CCC[C@H](C)CCO)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356636449 IVQLNJTZWHCVDN-XRBFLYINSA-N 348.392 -0.926 0 1 EBAF CC(=O)N/C=C\[S@](=O)C1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)O)[C@H]2C1 26663955 FWWJFXYMDLTDNO-ZKOKHGQWSA-N 342.373 -0.360 0 1 EBAF CCCCc1nc(N)nc(=O)n1C[C@@H](CO)OCP(=O)(O)O 45370302 JNXQSBBGTYVAOR-QMMMGPOBSA-N 336.285 -0.924 0 1 EBAF Cc1cn([C@@H]2C=C[C@H](COP(=O)(O)O)[C@@H](O)C2)c(=O)[nH]c1=O 58626963 PIQIDTLVJACCCC-BBBLOLIVSA-N 332.249 -0.568 0 1 EBAF in-vitro O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](CO)O2)cc1OCCc1ccccc1 5955946 ZJJFIMAIGKXEKX-AEGPPILISA-N 348.355 -0.201 0 1 EBAF NS(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 27644960 QZEVTOIQUDQNAS-VIFPVBQESA-N 330.318 -0.618 0 1 EBAF C/C=C\c1ccc(O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c(OC)c1 95099022 HBQGHTRBYUFZLV-OADZWMOWSA-N 340.328 -0.001 0 1 EBAF biogenic,in-vitro O=C(NC[C@@H]1OC[C@@H](NC2CCNCC2)[C@H]1O)c1cccs1 2356286983 VDITVVSTXGJFLL-MBNYWOFBSA-N 325.434 -0.052 0 1 EBAF CO[C@@H]1C[C@@H]2C(=O)N3CC[C@@H](NC(=O)c4cccn4C)[C@@H]3C(=O)N2C1 33660963 SPDKSRJCYVJBBM-HBJVGIJOSA-N 346.387 -0.646 0 1 EBAF biogenic CC(C)(O)[C@H]1CC=C(CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1 2356510474 BCTBHOXCGJDKFZ-DEPYFDJDSA-N 332.393 -0.700 0 1 EBAF O=C(NCCN1CCOCC1)NC(=O)[C@@H]1[C@H](C(=O)O)[C@@H]2CC[C@H]1O2 28820231 LCSFQHNRSCFHSD-NOOOWODRSA-N 341.364 -0.977 0 1 EBAF OCCSC[C@H]1O[C@@H](n2cnc3c(F)ncnc32)[C@H](O)[C@@H]1O 58598830 GXZBUPDJUBMUGF-WOUKDFQISA-N 330.341 -0.690 0 1 EBAF CC1(C)O[C@]2(C)CC[C@@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C2 100778097 WPVRGZPCRCFTNS-SMUVSDOJSA-N 332.393 -0.461 0 1 EBAF endogenous,in-man CC1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1CC[C@H]2C 238753739 UKWQRDBDDIGHEQ-DYQHZTAUSA-N 330.377 -0.275 0 1 EBAF O=C1N[C@@H]2CCCC[C@H]2N2NN[C@@H](C(=O)NCCc3cccs3)[C@@H]12 618011923 CIHOPUGAUIUSJY-SYQHCUMBSA-N 349.460 -0.090 0 1 EBAF COCc1cn(C[C@@H]2C[C@H](NC(=O)C3CCCC3)[C@H](O)[C@H]2O)nn1 2356353036 GVEBNDZWJUZEPR-MXAVVETBSA-N 338.408 -0.159 0 1 EBAF COc1cc2[nH]ccc2cc1O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356470961 MLRMPLSCFCMXGJ-BIGJJFBESA-N 339.300 -0.553 0 1 EBAF CC(C)C1=C[C@@H](O)[C@](C)(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1 2356479873 HDVPJYNBUXNSEW-GBIHRFPISA-N 332.393 -0.701 0 1 EBAF Nc1ncnc2c1ncn2CC(=O)Nc1ccc(S(N)(=O)=O)cc1 1857749314 RMDQDEMQEQPCAA-UHFFFAOYSA-N 347.360 -0.305 0 1 EBAF C[C@H](CC=CC(C)(C)O)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356342789 ZCDKJIRLFSPIQI-JEWKUQAESA-N 334.409 -0.454 0 1 EBAF CC(C)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(=O)O 2356708756 BGXVHVMJZCSOCA-UPJWGTAASA-N 342.440 -0.341 0 1 EBAF Nc1nc2c(ncn2[C@@H]2C=C[C@H](OCP(=O)(O)O)OC2)c(=O)[nH]1 32061655 JYQCIFLHFBRICO-RQJHMYQMSA-N 343.236 -0.693 0 1 EBAF Nc1nc(OCC2CC2)nc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O 73223035 UPKYDVOWZGHQRD-QYVSTXNMSA-N 339.327 -0.214 0 1 EBAF Nc1ncnc2c1ncn2[C@@H]1O[C@@H](/C=C/P(=O)(O)O)[C@H]1CO 84462462 XIIIESXPDITNDF-SGCTXUTCSA-N 327.237 -0.394 0 1 EBAF Cc1cn([C@H]2C[C@H](O)[C@@]3(COP(=O)(O)O)C[C@H]23)c(=O)[nH]c1=O 103520465 UGXPFKYDADDXLN-JDVQERKKSA-N 332.249 -0.734 0 1 EBAF in-vitro C/C=C/C=C/C(=O)NC[C@@H](O)C[C@H](N)CC(=O)NCCC(=N)N 238747511 OAXPQNCOMDEHMJ-XMSXHTJVSA-N 325.413 -0.854 0 1 EBAF O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 61930808 YGWZUFXHQCFSBN-YBXAARCKSA-N 335.715 -0.740 0 3 EBAF CC(C)(C)OC(=O)NCCNCC(=O)Nc1c[nH]c(=O)[nH]c1=O 40405930 PSQXKDVVDOQDQI-UHFFFAOYSA-N 327.341 -0.884 0 1 EBAF O=C1[C@@H]2Cc3nc[nH]c3[C@@]3(C=COCC3=O)N2C(=O)[C@@H]2CCCN12 963226097 XMQQIMULZZDYLE-MMPTUQATSA-N 328.328 -0.524 0 1 EBAF C[C@H](CCC(=O)c1ccoc1)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356614314 PTJJGQRFZDZMRD-HIMXQRAGSA-N 344.360 -0.305 0 1 EBAF CC(=O)NCC[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@H](C(C)(C)O)[C@@H]2C1 14920453 SZSFOKCNKPUNLN-AYYRUSCMSA-N 344.389 -0.831 0 1 EBAF biogenic CO[C@@H]1O[C@H](Oc2cc(O)cc(C)c2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O 2356611030 HHIIXLFEQMLCPQ-LZFBMIIGSA-N 330.289 -0.811 0 1 EBAF CCOC(=O)CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O 5011051 DNKINXKUWXUNRF-BKWHQTBESA-N 337.336 -0.629 0 1 EBAF C/C(=C\O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@H]1CC[C@@H](C)CC1=O 56874677 CMULNSPKSRFQAF-VUBJWRFSSA-N 330.377 -0.288 0 1 EBAF in-vitro OC[C@H]1O[C@H](Oc2ccc(-c3cccnc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 84566796 ATUZXONKXZYYHX-NRKLIOEPSA-N 333.340 -0.073 0 1 EBAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)O[C@H]([C@H](O)CO)[C@H]2O 587531693 KYYPQHOKQREHRY-GFOCRRMGSA-N 348.351 -0.091 0 1 EBAF COc1cc(C=CC(=O)O[C@H]2[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]2O)ccc1O 2356481344 NASHUJVUBDVGDN-PJCWQLRWSA-N 340.328 -0.215 0 1 EBAF NC1=C(N2CCOCC2)C(=O)NC2=N/C(=C\c3ccccc3)C(=O)N21 1649825 FRHBDSSHYRTEAL-BENRWUELSA-N 339.355 -0.185 0 1 EBAF OC[C@H]1O[C@H](n2cnc3c(-c4ccccn4)ncnc32)[C@H](O)[C@@H]1O 49016847 KGARCZMCQCLSRS-OBEQPXDXSA-N 329.316 -0.500 0 1 EBAF COCCN1[C@H](S[C@H](C)C(C)=O)N[C@@H]2[C@@H]1C(=O)NC(=O)N2C 618016396 WCXDCPMQGMWMAY-ORXSELOVSA-N 330.410 -0.591 0 1 EBAF CC(C)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCOCC3)O[C@H]2[C@@H]1O 2356290047 HXDIXAGYTHXFBO-CNRIWFPOSA-N 328.409 -0.481 0 1 EBAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCC3)[C@@H](O)[C@H]2O1)N1CCOCC1 2356295151 TXYZUKNDCUUEOY-CTTHAOKLSA-N 340.420 -0.337 0 1 EBAF COC(=O)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356737484 VONHIBQETRIZNS-AKCLXFFXSA-N 327.333 -0.251 0 1 EBAF Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H]2O[P@](=O)(O)O[C@H]21 100770300 KMYWVDDIPVNLME-FCIPNVEPSA-N 329.209 -0.817 0 1 EBAF endogenous,in-vitro CN(C)C(=O)OC[C@H]1O[C@@H]2SC(N3CCCC3)=N[C@@H]2[C@@H](O)[C@@H]1O 148265049 IDGBRTJHAZOMMH-LZQZFOIKSA-N 345.421 -0.302 0 1 EBAF CC[C@@H](C)C(=O)OC[C@H]1O[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H](O)[C@@H]1O 238781406 USFADRYKVSYBDN-NZQYKYSJSA-N 334.365 -0.418 0 1 EBAF COc1c2c(cc3c1C(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](O)C[C@H]31)OCCO2 1857571575 VPSDHKCWPIDDNT-KDJDZTMPSA-N 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COc1ccc(N2C(=O)CS[C@H]2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1 103177659 XGQQYZSDVDRTLL-IKSZGEOFSA-N 341.385 -0.417 0 1 EBAF Cc1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2nc[nH]c2C(C)(C)C)[nH]c1=O 113068780 HDOWPTGKWPHXEY-VFWKFLPVSA-N 340.387 -0.227 0 1 EBAF Cc1cnc2[nH]c(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)nc2c1 587218637 HTUWHEXPTMMPIR-BDAKNGLRSA-N 349.347 -0.430 0 1 EBAF COc1cccc2[nH]cc(C[C@]3(O)C(=O)O[C@@H]4[C@H](O)CO[C@]43O)c12 2356551106 QOIGAYNTLXGYBM-YONQAEKCSA-N 335.312 -0.545 0 1 EBAF CO[C@@H]1C[C@@H]2C(=O)N3CC[C@@H](NC(=O)CSC)[C@H]3C(=O)N2C1 2356603336 GZRNFIXILMUFON-BFLSOPEQSA-N 327.406 -0.935 0 1 EBAF O=C([C@H](Cc1ccc(O)cc1)n1cc(CCO)nn1)N1CCNCC1 13478046 ZWEUUAMORNQSAJ-INIZCTEOSA-N 345.403 -0.266 0 3 EBAF Nc1ncnc2c1ncn2[C@H]1O[C@@H](CSCCF)[C@@H](O)[C@H]1O 36238076 OYMAPKKTJSEOTI-YWZCALJYSA-N 329.357 -0.270 0 1 EBAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCP(=O)(O)O)[C@H]1CO 253665648 PXJJAJWPCRPVLB-OPVBNTEQSA-N 329.253 -0.518 0 1 EBAF Cn1cc(NC(=O)c2cccc(N3CCNCC3)n2)c(C(N)=O)n1 1857589875 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328.390 -0.918 0 1 EBAF CC(C)=CCCC(=CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)CO 2356557533 SFENAQUWRVRAGF-DGADGQDISA-N 332.393 -0.532 0 1 EBAF Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1Cl 13547779 JXVVNBLPBHXIAA-RRKCRQDMSA-N 341.644 -0.763 0 1 EBAF in-vitro CC(C)[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)CF 28392842 PMRXNDVWOPLBSU-SDBXPKJASA-N 348.327 -0.510 0 1 EBAF COC(=O)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)CCN2 82204819 DAYSHCHLMRJWCP-UHFFFAOYSA-N 344.327 -0.139 0 1 EBAF Cc1c(C(=O)N2CCC[C@H](C(N)=O)C2)cnn1[C@H]1CCC(=O)NN1 618012554 PSLIDVDUXXGJHT-JQWIXIFHSA-N 334.380 -0.558 0 1 EBAF CCc1ccc2[nH]cc(OC(=O)[C@@H]3O[C@](O)(CO)[C@@H](O)[C@H]3O)c2c1 2356481593 VCWKSEMDOAEEDE-KNCOVGOOSA-N 337.328 -0.563 0 1 EBAF O=C(O)C=Cc1ccc(O[C@@]2(C(=O)O)C[C@H](O)[C@@H](O)[C@H](O)C2)cc1 2356541071 FMTHOTDCTGZPGI-ANLITQITSA-N 338.312 -0.137 0 1 EBAF O=c1cc(CCc2ccc(O)cc2)oc2c1[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O 2356643995 PBFJQDNZTRCGTF-JONQDZQNSA-N 334.324 -0.067 0 1 EBAF CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)O 17130271 BKVICMPZWRNWOC-NOOOWODRSA-N 331.413 -0.549 0 1 EBAF biogenic C[C@H]1C(C[n+]2cccc(C(N)=O)c2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 26290361 XFERKKRSAVPAIW-HIAZDOBYSA-O 346.363 -0.731 0 1 EBAF CC(=O)NC=C[S@](=O)C1=C(C(=O)O)N2C(=O)[C@H](C(C)(C)O)[C@H]2C1 2356699153 FWWJFXYMDLTDNO-NUHDDLEISA-N 342.373 -0.360 0 1 EBAF CC(C)[C@H]1C=C[C@](C)(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)C1 2356432323 XRDWIDJQBPMTAE-MLDOMVLPSA-N 332.393 -0.845 0 1 EBAF CC(=CC=CC[C@H](C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)CO 2356500780 BMZXRCYRAQEICG-XBORSJSESA-N 332.393 -0.676 0 1 EBAF CC[C@H](C)[C@H](N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(=O)O 2356692341 RWIKBYVJQAJYDP-USZNOCQGSA-N 330.429 -0.437 0 1 EBAF CC(=O)N[C@H]1[C@H](Oc2nc3ccccc3o2)O[C@H](CO)[C@@H](O)[C@@H]1O 6780048 NPMYJEJHOGTCHA-KSTCHIGDSA-N 338.316 -0.850 0 1 EBAF CON1C(=O)[C@]2(C[C@H]3NC(=O)[C@H]4[C@@H](O)[C@H]2OC[C@@H]34)c2ccccc21 2356816882 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