smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCCNC(=N)N 14651410 JDLOASBKUAQMFJ-DLBZAZTESA-N 389.500 0.707 0 1 GCAF biogenic CCOC(=O)CC[C@@H](NC(=O)c1ccc2nc(N)nc(N)c2c1)C(=O)OCC 25970185 IIIYXUZVQGHCQM-CYBMUJFWSA-N 389.412 0.799 0 1 GCAF Cn1c(Cc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)nc2ccccc21 84619101 PEQQPPGSKBANLN-RQXATKFSSA-N 384.432 0.679 0 1 GCAF CCN1C[C@]2(C)CC[C@H](O)[C@]34[C@H]1[C@H](C[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@]4(O)[C@@H]1[C@H]2O 85510590 PFSQFYVYGQKXRF-SOHCBZABSA-N 393.524 0.366 0 1 GCAF biogenic,in-vitro O=C(Cn1cnc2c(NCc3ccccc3)ncnc21)NCCN1CCOCC1 61945275 ACVGSKKUVWAVED-UHFFFAOYSA-N 395.467 0.887 0 3 GCAF CCOC(=O)[C@@H](SCCO)[C@@H](C(=O)OCC)n1cnc2c(N)ncnc21 1647378 VWIROSQJACUKSW-QWRGUYRKSA-N 383.430 0.170 0 1 GCAF COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](O)[C@@H](N)CCCCN 27995629 CGMUBURMPMVFHE-XIRDDKMYSA-N 376.457 0.185 0 1 GCAF COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c(O)c1 113068994 PFGQMCQXTJEIKI-VHACCUCUSA-N 382.420 0.456 0 1 GCAF CS(=O)(=O)n1cc2c(n1)CN([C@H]1CN[C@@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 169701980 YMSSYXMVVRUURO-PVUWLOKVSA-N 397.451 0.715 0 1 GCAF O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3cccn3-c3ncccn3)N2C(=O)[C@@H]2CCCN12 963217811 IDEIQWIWQVLPMD-ZOBUZTSGSA-N 389.419 0.838 0 1 GCAF COC[C@@H](C)NC(=O)c1ccc2ccc(N3CCN(S(C)(=O)=O)CC3)n2c1 1772588831 NIXLKXSXNOEUGT-CQSZACIVSA-N 394.497 0.786 0 1 GCAF CC=C1C[C@H](C)[C@](C)(OC(C)=O)C(=O)OC[C@]2(O)CCN3CC[C@@H](OC1=O)[C@H]32 2356739288 OKBSOOJPPZTNST-FSOWIEQGSA-N 395.452 0.958 0 1 GCAF O=C1[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccoc3)C2)C(=O)N1Cc1ccccc1 2356756666 BQXWPZMSPZBPTK-QZTJIDSGSA-N 381.432 0.838 0 1 GCAF CCOC(=O)NCc1ccc(O[C@@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1 14444010 VMTHKXYSTHHGCH-YTWYBYMMSA-N 383.397 0.710 0 1 GCAF endogenous,in-man CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1O[P@@H](=O)O 14976471 GZFPNFSOEAXALX-KDBYPZKRSA-N 391.382 0.302 0 1 GCAF Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@]2(/C=C/P(=O)(O)O)C[C@H]12 101925548 VISGUCWSHFMQTJ-NMNNALJNSA-N 387.720 0.036 0 1 GCAF Cc1nc2ccc(N[C@@H]3OC[C@H](O)[C@@H](O)[C@H]3O)cc2c(=O)n1-c1ccccc1 254077994 PEZKKVKHQLCXFX-WJFTUGDTSA-N 383.404 0.545 0 1 GCAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(O)ncnc3[nH]2)[C@H](C)O)cc1 586935129 JTGAFQWOUDOAPM-GZMMTYOYSA-N 379.398 0.468 0 1 GCAF CNS(=O)(=O)c1ccc(CCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 586946829 QJXDBPMGDGJZET-UHFFFAOYSA-N 394.478 0.904 0 1 GCAF COc1ccc2c(c1)[C@@]1(NC[C@@H]3CC(=O)N(C)c4cccc1c43)C(O)(O)C2=O 963029160 NAIMNGWZAIWPBR-PRWKNARSSA-N 380.400 0.869 0 1 GCAF CC(C)NC(=O)[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1CCc1ccc(O)cc1 199237873 AOPNDXLFQSZIQP-SFHVURJKSA-N 397.497 0.322 0 3 GCAF NCCCNCCCCNCCCNC(=O)[C@@H](O)Cc1c[nH]c2ccccc12 6117666 KYOFIRPCXVBCTL-FQEVSTJZSA-N 389.544 0.886 0 1 GCAF biogenic C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H]([C@H]4CCN(C)O4)C3)[C@H](C)[C@H]12 28099241 MGKPWZDMOVJLHX-YJIVIRPOSA-N 397.497 0.240 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(NCc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O 49021023 AIFYZXYYAFRRQV-GDLHICMESA-N 391.815 0.703 0 1 GCAF CCNc1nc(N2CC[C@@H](NC(=O)C(N)=O)C2)nc2cc(OC)c(OC)cc12 82119251 HOJBRKLPHLCAIR-SNVBAGLBSA-N 388.428 0.259 0 1 GCAF COCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 95794394 VPCFDNPCXUPYJO-MJGOQNOKSA-N 381.432 0.910 0 1 GCAF COc1ccccc1CNC(=O)C[C@H]1CC[C@H](NC(=O)CN(C)C)[C@H](CO)O1 95907101 RWNJDCVIKVVTPT-RYRKJORJSA-N 393.484 0.288 0 1 GCAF COc1ccccc1-c1cn2c(=O)c3ncn([C@H]4CO[C@@H](CO)O4)c3nc2[nH]1 101916383 SKKJWNDSWKKYRM-ZIAGYGMSSA-N 383.364 0.912 0 1 GCAF O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1OC[C@H](O)CN1CCN(c2ccccc2)CC1 261101057 GHDNAOMLMMZWQC-ORFRNNEJSA-N 397.475 0.908 0 1 GCAF N=c1nc(O)c(NC(=O)Nc2ccc(C(=O)NCCCC(=O)O)cc2)c(N)[nH]1 473121174 FZQCDWWVALNWSS-UHFFFAOYSA-N 389.372 0.416 0 1 GCAF COc1ccc(Cc2nc3ncc[nH]c-3n2)cc1S(=O)(=O)N1CCOCC1 586956536 CQXWRFIWTSVPGJ-UHFFFAOYSA-N 389.437 0.925 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(Cl)cc(F)c2[nH]1)C(=O)O 587223610 WYUBOMCQAXLIBK-RKDXNWHRSA-N 386.767 0.659 0 1 GCAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(CO)O[C@H](CO)C2=O 587618536 UNCMNEISDMUUNL-GQIGUUNPSA-N 384.340 0.929 0 1 GCAF CNC(=O)c1ccc2c(c1)N(c1cnc(OC)c(S(=O)(=O)NC)c1)CCO2 1911571320 IEIGKQPFWRSCJT-UHFFFAOYSA-N 392.437 0.888 0 1 GCAF OC[C@@H]1O[C@H](Oc2ccc(/C=C\c3cc(O)cc(O)c3)cc2)[C@@H](O)[C@H](O)[C@@H]1O 13340987 RUOKEYJFAJITAG-JPDQSUBBSA-N 390.388 0.447 0 1 GCAF in-man OC[C@H]1O[C@H](n2cnc3c(NC[C@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 49126346 DUNKXLVWSLBCNL-HQAMDYDRSA-N 397.435 0.580 0 1 GCAF CC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(S(=O)(=O)N(C)C)C2 95575554 QSMMRLXGCRJKGR-UHFFFAOYSA-N 377.426 0.918 0 1 GCAF COCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO 95668767 UZFJFNKESOAZMD-DVOMOZLQSA-N 383.242 0.593 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc3ncccc3c2[nH]1)C(=O)O 587220552 NLCUBWAUCUWSJE-GWCFXTLKSA-N 385.380 0.415 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(Cl)cc(F)c2[nH]1)C(=O)O 587223606 WYUBOMCQAXLIBK-DTWKUNHWSA-N 386.767 0.659 0 1 GCAF CC(=O)N[C@H]1[C@H](Oc2ccccc2-c2cccc(F)c2)O[C@H](CO)[C@H](O)[C@@H]1O 1857581314 YVMXNMJSXAPTDH-OUUBHVDSSA-N 391.395 0.815 0 1 GCAF COc1c(N2CC[C@@H](CN)C2)c(F)cc2c1N(CCCN)C[C@H](C(=O)O)C2=O 1857751385 SONBBVPUQGEIDF-AAEUAGOBSA-N 394.447 0.672 0 1 GCAF CC1=C(c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)CN2CCC[C@@H]2C1 2356563126 QUYDWYUNUYQKBM-FWAMVJKUSA-N 391.464 0.507 0 1 GCAF COc1cccc(CC(=O)N[C@@H]2C[C@H](Cn3cc(C4CC4)nn3)[C@H](O)[C@@H]2O)c1 2356619680 PUAOSYCALDMNTH-BXIUTXANSA-N 386.452 0.633 0 1 GCAF CN(C)Cc1cn([C@@H]2CO[C@@H]3[C@H](OC(=O)NCc4ccccc4)CO[C@@H]32)nn1 2356807190 AJLJGETYHJJNGT-BRSBDYLESA-N 387.440 0.973 0 1 GCAF CCOC(=O)Cn1c(=O)n(-c2cccc(OC)c2)c2nc(C)nc(C(N)=O)c21 9835442 FFOWCNSTPYQWLS-UHFFFAOYSA-N 385.380 0.561 0 1 GCAF Nc1nc(Cl)c(/C=C\c2cccnc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 73165342 UXTNRWBXUJMHJT-LTPKJMNYSA-N 377.832 0.792 0 1 GCAF COCC(=O)Nc1ccc(F)c([C@]2(C)CS(=O)(=O)[C@]3(CCOC3)C(=N)N2)c1 147248297 VVNWAJXLGUIYTQ-IRXDYDNUSA-N 399.444 0.780 0 1 GCAF CCOC(=O)C(=O)Nc1cc(C(N)=O)cc(NC(=O)C(=O)OCC)c1Cl 169316041 BEMDMXBNQFGYJL-UHFFFAOYSA-N 385.760 0.442 0 1 GCAF CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](C[C@H](O)[C@@H]3[C@]23CO[C@H](O)[C@H]13)[C@](C)(O)[C@H]4O 2356621148 QMCAKDVKAVSTQB-KSUOQECHSA-N 382.453 0.182 0 1 GCAF CN(C)Cc1cn([C@@H]2CO[C@@H]3[C@H](NC(=O)NCc4ccccc4)CO[C@@H]32)nn1 2356876225 ZIPMLYVXGLKRHW-BRSBDYLESA-N 386.456 0.546 0 1 GCAF CC(=O)Nc1ccn([C@H]2CS[C@H](COC(=O)P(=O)(O)O)O2)c(=O)n1 26292287 HSUPUTCTFNFQQU-RKDXNWHRSA-N 379.287 0.104 0 1 GCAF C[C@H](Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1 49031169 DBOSFRMMZGTYFX-JHTGIODLSA-N 386.412 0.193 0 1 GCAF N[C@@H](Cn1c(=O)n(Cc2ccsc2C(=O)O)c(=O)c2sccc21)C(=O)O 72105387 ASIMEDXKJYQTKT-QMMMGPOBSA-N 395.418 0.445 0 1 GCAF CN(C)CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CC2)O1 95884774 NCGZYYROGFAGMS-HCXYKTFWSA-N 383.533 0.464 0 1 GCAF N[C@@H](CN1C=C[C@]2(N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)C(=O)C1)C(=O)O 962762527 JKBCKWQIYXEJRM-GDZNZVCISA-N 397.353 0.338 0 1 GCAF N[C@@]1(C(=O)O)[C@H](OCc2cccc(Cl)c2Cl)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O 1772655731 ZMUYYXBVNBIBEW-FNGOHVFLSA-N 376.192 0.982 0 1 GCAF COc1cc2c(c(OC)c1OC)C(=O)O[C@@]21[C@H](O)[C@H](O)C=C2CCN(C)[C@H]21 2356518744 ARKFTBZTMGGQCK-OLJVKKBNSA-N 377.393 0.444 0 1 GCAF O=C(c1ccccc1F)N1C[C@H]2COCCN2C2(CN(Cc3cnc[nH]3)C2)C1 2356729949 VTXUZORLHOLIKV-INIZCTEOSA-N 385.443 0.960 0 1 GCAF C[C@@]12CC[C@@H]3C(=C[C@H]4OC(=O)[C@]5(C)[C@H]4[C@]34CC[C@]5(O)OC4)[C@]1(O)OC[C@H]2O 6032302 ZILYDLLIUSDBSE-OFXGZFQISA-N 378.421 0.469 0 1 GCAF N=C(N)c1ccc(N2CC3(CCN(C(=O)NCCC(=O)O)CC3)NC2=O)cc1 13560411 VGCGCNLWEQGBNN-UHFFFAOYSA-N 388.428 0.519 0 1 GCAF CCCNc1ncnc2c1nc(NC1CCCC1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 13755467 CJONGHTWIJYWQY-LSCFUAHRSA-N 392.460 0.614 0 1 GCAF CS(=O)(=O)N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@@H]12 25431673 GMAXPTWWZWZPEU-UNJBNNCHSA-N 382.467 0.701 0 1 GCAF biogenic Nc1nn(Cc2ccccc2)c2ncnc3c2c1cn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 27103411 QIWQZCFHUJNFDP-QEPJRFBGSA-N 396.407 0.023 0 1 GCAF COc1cc(OC)cc(-c2nc(C(=O)NCC(=O)N3CCNCC3)cs2)c1 82084874 ZMHWUQLRYJOOAP-UHFFFAOYSA-N 390.465 0.989 0 1 GCAF CCOC(=O)CN1CCN(c2ncc(C)c(N[C@@H](C)C(=O)OCC)n2)CC1 82204187 XPBDCMQCKCZKSP-AWEZNQCLSA-N 379.461 0.834 0 1 GCAF CN(C)CC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2ccccc2F)O[C@H]1CO 95907045 JPCYXULXKAYANI-UAGQMJEPSA-N 379.432 0.194 0 1 GCAF COc1cccc(N2C[C@H]3[C@](c4ccccc4)(C2)N=C(N)N(C)S3(=O)=O)n1 205388532 ROOHNRUKVDMYSK-KBXCAEBGSA-N 387.465 0.764 0 1 GCAF COc1cc2nc(C[C@@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c2cc1Cl 587220731 SQZMIRSYGUGOBK-RKDXNWHRSA-N 398.803 0.529 0 1 GCAF C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605577 BEKFJEHPEIOIAV-QCEJTIMYSA-N 376.361 0.186 0 1 GCAF O=C(O)CN1C(=O)[C@@]2(CC(=O)N(Cc3ncco3)C2=O)c2cc(Cl)ccc21 14976754 VEEDEOIGYMFLIJ-QGZVFWFLSA-N 389.751 0.956 0 1 GCAF COc1cccc(CC(=O)N2CCN(C(C)=O)C[C@@H]2CN2CC[C@H](O)C2)c1 26286815 HVIIWHNRMPBXJH-ROUUACIJSA-N 375.469 0.364 0 1 GCAF CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1cc(=O)[nH]c(O)n1)C(=O)O 28011811 XMOWUVZINCCFOM-PWSUYJOCSA-N 382.417 0.236 0 1 GCAF Nc1nc(Sc2ccccc2)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 34591138 ICYRARAHDADHPZ-AYIJCJCZSA-N 375.410 0.171 0 1 GCAF CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc2ccc(=O)oc12 168287962 QPAYBYCPZSAASE-UVNCQSPWSA-N 392.404 0.480 0 1 GCAF Cn1cc(Br)c(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)n1 169306456 LMHHPCYJUBLDJT-NKEJLRRISA-N 391.225 0.881 0 1 GCAF CC(C)(C)c1ccc2nc(C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c2n1 587218431 GRJORTBLHBWADH-GXSJLCMTSA-N 391.428 0.559 0 1 GCAF CC(C)(C)c1ccc2nc(C[C@@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c2n1 587218437 GRJORTBLHBWADH-MWLCHTKSSA-N 391.428 0.559 0 1 GCAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@]2(O)C=C[C@](C)(O)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@H]12 2356462390 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0.577 0 1 GCAF CNC[C@H]1Oc2ccc(NS(C)(=O)=O)cc2CC(=O)N([C@@H](C)CO)C[C@@H]1C 95846088 XOTYHNIEAMYTDW-GDZNZVCISA-N 399.513 0.427 0 1 GCAF CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cc(Cl)ccc2N)[nH]c1=O 113069031 VSAYBBBCPDHZSG-UOUVAZQYSA-N 385.855 0.977 0 1 GCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)O[C@H]([C@@H](O)CO)C2=O 587843002 RKTHZVWKCKESLR-IYWIUQEESA-N 388.189 0.165 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3ccccc3OC)[C@@H](O)[C@@H]2O1 2356610686 UQOXTQIWESHOLS-TWRRNRRFSA-N 394.468 0.223 0 1 GCAF COc1cc(O)c2c(c1)[C@H](O)[C@H](C[C@H](O)[C@H](O)[C@]1(O)CCC[C@H](C)O1)OC2=O 2356722274 BLRCKXAFWRAWRL-BLUODVNJSA-N 398.408 0.363 0 1 GCAF CS(=O)(=O)NC[C@@H]1C[C@H]2CCN1C[C@@H]2CN1CCN(C2=CC=C[CH]N2)CC1 2356870876 DBIVJRWEEYDFKQ-SQNIBIBYSA-N 394.565 0.026 0 1 GCAF CCN(CC)c1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(O)O[C@H]2[C@H]1O 169320632 DHCTUIYRNHAQQK-IDTAVKCVSA-N 385.317 0.447 0 1 GCAF OC[C@H](O)[C@H](O)[C@]1(CO)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962950250 CPVNCZVNAPSWGF-JLJPHGGASA-N 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OC[C@@H]1O[C@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@@H](O)[C@@H]1O 29416212 QNQVVNSRYWTXJV-FORWCCJISA-N 399.451 0.873 0 1 GCAF C[C@H]1O[C@@H](n2cnc3c(N)nc(O[C@H](C4CC4)C(F)(F)F)nc32)[C@H](O)[C@@H]1O 73223053 WCCXSIPIPFVPLO-QRJYVWJGSA-N 389.334 0.767 0 1 GCAF CC(=O)Nc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@H](c1ccccc1)CN2 82210019 KVNDWZMQBSIMPM-HNNXBMFYSA-N 397.435 0.606 0 1 GCAF O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CC1 95904036 KCJLPEXOQNKRCT-FGTMMUONSA-N 396.509 0.931 0 1 GCAF CN1CC2=CCO[C@H]3CC(=O)N4c5c(O)cccc5[C@]5(C[C@@H]1O)C(=O)C[C@@H]2[C@@H]3[C@H]45 200867510 DJXMJEPDTHPSQF-WSVDCJCGSA-N 396.443 0.933 0 1 GCAF CC=C1C[C@H](COC(C)=O)[C@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23 2356602692 JAWLPMQZKYJXPI-YLAKUSLOSA-N 393.436 0.736 0 1 GCAF CC1(C)[C@@H]2C[C@H]3OC(=O)[C@]45C[C@@H](C[C@H](O)[C@@H]4[C@]34CO[C@H](O2)[C@@H]14)[C@@](C)(O)C5=O 2356847179 OULZISXDECDWIJ-BLPBXSPFSA-N 378.421 0.407 0 1 GCAF O=C(NCC1(O)CCCCC1)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl 43076336 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CC(C)C[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C)O)n1c(=O)[nH]c2ccccc2c1=O 16025767 ZXBWYXAJSHQNLM-LERXQTSPSA-N 377.397 0.227 0 1 GCAF biogenic CNC(=O)[C@@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H](O)[C@H]1O 40422007 AOOYJVBMRQULKJ-JNIYBQFBSA-N 396.835 0.199 0 1 GCAF Cc1nc2ccc(N[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)cc2c(=O)n1-c1ccccc1 254077993 PEZKKVKHQLCXFX-INDMIFKZSA-N 383.404 0.545 0 1 GCAF Cc1cnc(Cl)c2[nH]c(C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)nc12 587217485 CVXSKYSEFNWYPV-JGVFFNPUSA-N 383.792 0.224 0 1 GCAF COCC(=O)N[C@@H]1[C@@H](c2cccs2)N(C(=O)N2CCOCC2)CC[C@@]1(C)O 2356288625 IDKJGVOOMUDKCF-JFIYKMOQSA-N 397.497 0.829 0 1 GCAF CCOC(=O)[C@@H]1CCCN(C(=O)CNC(=O)Cn2ccc3ccccc3c2=O)C1 4111276 UTGZTPBWRAICKL-MRXNPFEDSA-N 399.447 0.919 0 3 GCAF O=C(CCCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1)NC12CC3CC(CC(C3)C1)C2 14967795 LYKNIHQMNRSKTH-JNEOLXESSA-N 380.529 0.888 0 1 GCAF CC(=O)OC[C@@H]1C[C@@H](OC(C)=O)[C@H](n2cc(Br)c(=O)[nH]c2=O)C1 32138123 FYHUGDOHZFPYND-MVWJERBFSA-N 389.202 0.745 0 1 GCAF CC(=O)NC[C@H]1CN(c2ccc(N3C[C@H](C)NS3(=O)=O)c(F)c2)C(=O)O1 40956330 HHUSBQSCNUFUCB-CABZTGNLSA-N 386.405 0.330 0 1 GCAF CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCCc1cnc[nH]1 66097251 QECFNYFOPBOKRA-HNNXBMFYSA-N 396.340 0.287 0 1 GCAF COC(=O)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@@H](C(C)C)N2 82206748 MWAYVSHLNQDGKQ-ZDUSSCGKSA-N 386.408 0.885 0 1 GCAF COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@]12C(=O)Nc1ccc(C)cc12 96908919 FREOVFPFUFBAMR-IBGZPJMESA-N 384.344 0.414 0 1 GCAF CO[C@@H]1[C@H]2[C@H](O)[C@@H]3O[C@@]45C(=C(O)[C@@H](C)C[C@](C)(O)C(=O)[C@H]14)C(=O)O[C@]25C[C@@H]3C 100306682 MHJGAFOCZUZLAB-QCESSZKCSA-N 394.420 0.253 0 1 GCAF in-vitro O=C(Nc1ccn([C@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)OCc1ccccc1 113168411 KFZMOOGZFANFGH-BNOWGMLFSA-N 397.334 0.878 0 1 GCAF COC[C@H](C(=O)N1CCN(c2cccc(OC)c2)CC1)N1C(=O)CCC1=O 1772623538 FNFYEVMOKOJQSM-MRXNPFEDSA-N 375.425 0.508 0 1 GCAF CC=C1CC[C@](C)(OC(C)=O)C(=O)OC[C@]2(O)CCN3CC[C@@H](OC1=O)[C@@H]32 2356422257 KRKINVRNNSVEHD-VVWQDTPRSA-N 381.425 0.712 0 1 GCAF O=C(CC[C@@H]1CNC(=O)[C@H]2C[C@H](NC(=O)C3CC3)CN12)NCc1ccccc1 2356854761 RSEDSGYTNGYLSP-RCCFBDPRSA-N 384.480 0.551 0 1 GCAF CS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 95795153 CWJBQADCDQSGJH-SGMGOOAPSA-N 389.271 0.380 0 3 GCAF COC(=O)c1ccc(-c2cccc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2)cc1 53314004 KJXHYBWPKVGFJG-JAYZULETSA-N 390.388 0.319 0 1 GCAF CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccccn1)C(C)C 59064101 UMKKZVBSRXLEFJ-XIRDDKMYSA-N 389.500 0.438 0 1 GCAF COc1ccc(CNC(=O)C[C@@H]2C=C[C@@H](NC(=O)CN(C)C)[C@H](CO)O2)cc1 95907053 VWYZNXAXUASMBN-KSZLIROESA-N 391.468 0.064 0 1 GCAF CCCS(=O)(=O)N1CC(=O)N(Cc2cccc(OC)c2OC)C[C@@H](O)C1 105847825 IHAPMUHOZMDGGC-CQSZACIVSA-N 386.470 0.449 0 1 GCAF C[C@H](O)[C@H](O)[C@@H](O)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349793 FXXVUEZALYZDCP-IJGIAHGHSA-N 392.379 0.724 0 1 GCAF OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@H]1O 44171077 HSTZMXCBWJGKHG-PEVREFSJSA-N 390.388 0.447 0 1 GCAF CN1CCOC[C@H]1c1nc(C(=O)NCc2cccc(F)c2)c(O)c(=O)n1C 89774377 ASYOATIVYHJHJH-ZDUSSCGKSA-N 376.388 0.558 0 1 GCAF COC(=O)c1cc(S(=O)(=O)NC2=NC[C@H](C)NN2)c(S)cc1Cl 6495190 NBHVMNLGAWTPCQ-LURJTMIESA-N 378.863 0.546 0 1 GCAF CO[C@@]1(NC(=O)COc2ccccc2)C(=O)N2C(C(=O)O)=C(Cl)CS[C@@H]21 26160976 XCWIQPFCOGCNIM-CVEARBPZSA-N 398.824 0.974 0 1 GCAF NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)O 39810930 ZVRJWDUPIDMHDN-IXDOHACOSA-N 390.484 0.246 0 1 GCAF biogenic CCS(=O)(=O)N[C@@H]1CC[C@@H](CC(=O)NC2Cc3ccccc3C2)O[C@@H]1CO 95676576 LZGNPRRVNFVBRK-RCCFBDPRSA-N 396.509 0.508 0 1 GCAF COCC(=O)N1CC2(CN(C(C)=O)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO 95796017 JNWDOFQIJBQUHQ-INIZCTEOSA-N 387.436 0.798 0 1 GCAF CC(C)NC(=O)NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 95864498 QYIDETKDHTZXMS-UAGQMJEPSA-N 399.513 0.971 0 1 GCAF CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1 95887718 XTMFCURZJJHNFP-WTTBNOFXSA-N 377.441 0.357 0 1 GCAF CC(C)[C@]1(O)CC(=O)[C@@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@]31C)[C@H](O)[C@H](C)CC[C@]24O 104371344 IJPNDQQOKFKBRG-YYMGGTQVSA-N 382.453 0.311 0 1 GCAF in-man COc1cc2nc(C[C@@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2cc1F 587222736 UCCHXFOQVDMXOX-BDAKNGLRSA-N 382.348 0.015 0 1 GCAF CN1CCN(C(=O)c2cnn3c(=O)cc(-c4ccc5c(c4)OCCO5)[nH]c23)CC1 653663516 FLRQHMYARZNZFS-UHFFFAOYSA-N 395.419 0.848 0 1 GCAF CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@]12c1cc(OC)c(OC)cc1C[C@H](C)N2C 962642705 ZNHZJIBZIPJYIG-FAYLYSEKSA-N 395.452 0.459 0 1 GCAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@@H](NC(=O)Cc4cccs4)CO[C@@H]32)nn1 36367559 CWHQHIXEZJFNQA-CTHBEMJXSA-N 378.410 0.192 0 1 GCAF biogenic CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccccc3)[C@@H](O)N2[C@H]1C(=O)O 95921043 ASNJKAXIMWOZDG-KHQUWSPVSA-N 380.422 0.278 0 1 GCAF in-vitro Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)c1c(F)c(F)c(F)c(F)c1F 96210346 XEEATOCFEUTHHG-RQZCQDPDSA-N 388.299 0.566 0 1 GCAF O=C(c1nn(CCO)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 112931219 DXVNZJPLZVVVKZ-UHFFFAOYSA-N 377.422 0.302 0 1 GCAF CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(C)=O 26654337 WJWATDVRWIHUJM-YESZJQIVSA-N 378.535 0.903 0 1 GCAF O=C(N[C@@H](Cn1ccnc1)C(=O)N[C@H]1COCC1=O)c1cc2ccccc2s1 29570116 ITMNMNPAHWCRGZ-KBPBESRZSA-N 398.444 0.981 0 1 GCAF CC(C)C[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 36286722 PUZQCAIXBLYSBU-ZQIUZPCESA-N 392.500 0.434 0 1 GCAF CNC[C@@H]1Oc2ccc(NS(C)(=O)=O)cc2C(=O)N([C@H](C)CO)C[C@H]1C 95854298 HMGKWXPABBQPJW-HSMVNMDESA-N 385.486 0.498 0 1 GCAF CN(C)CC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO 95907499 VCIKDIOFMNBODN-BRWVUGGUSA-N 395.887 0.709 0 1 GCAF NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1 113491503 YTVFDUBYOHFAKS-ZWKOTPCHSA-N 393.443 0.960 0 1 GCAF COC[C@@H]1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O 197915755 PKWWPYGUEJBDRL-DGMLZUPPSA-N 396.480 0.082 0 1 GCAF COCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 2464831 FZPNSFIOSCQQNA-UHFFFAOYSA-N 379.438 0.689 0 1 GCAF CC(C)C[C@H](NC(=O)CCOc1ccccc1)C(=O)N[C@H]1CC(=O)O[C@@H]1O 13819195 SWFLTQBMIJVLEP-DOXZYTNZSA-N 378.425 0.737 0 1 GCAF CCNc1nc(N2CC[C@H](NC(=O)C(N)=O)C2)nc2cc(OC)c(OC)cc12 82119250 HOJBRKLPHLCAIR-JTQLQIEISA-N 388.428 0.259 0 1 GCAF C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NS(C)(=O)=O)c2O[C@@H]1CN(C)C 95754696 NGOQGDZIZPAXSN-WOSRLPQWSA-N 399.513 0.840 0 1 GCAF CCOC(=O)C[C@@H]([C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC)N1CCC[C@H]1C(=O)O 103290855 VVPIIRKCCPZJEM-QVAMAXFDSA-N 387.429 0.749 0 1 GCAF Nc1nc(O)c2cc(CC(=O)NCCCC(=O)NCc3cccnc3)[nH]c2n1 299866477 VWINFTRAISSGSI-UHFFFAOYSA-N 383.412 0.396 0 1 GCAF COCCN1C(=N)NC(=N)NC12CCN(S(=O)(=O)c1ccccc1)CC2 1857749634 JETAXRRGOGJFLS-UHFFFAOYSA-N 380.474 0.178 0 1 GCAF CCC=CC[C@H]1[C@@H](CC(=O)OC)CC[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356543321 OCFKHNFJQZMGMS-CNGZKZFVSA-N 388.457 0.117 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCOCC3)[C@@H](O)[C@@H]2O1)NCc1cccnc1 2356759528 WNZSVROEIFFBLT-OCBLOMHFSA-N 391.468 0.142 0 1 GCAF CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@@H]3[C@H](OCC(=O)O)CO[C@@H]32)cc1 2356874528 YWTJPAFRNBQSMT-RRCSTGOVSA-N 375.385 0.215 0 1 GCAF Cc1cn([C@H]2C[C@H](O)[C@@H](CCC(=O)NCCc3cccs3)O2)c(=O)[nH]c1=O 199374713 LPFBBXMJFHIAOX-SQWLQELKSA-N 393.465 0.694 0 3 GCAF CCS(=O)(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2ccc(F)cc2)O[C@H]1CO 95676478 UJYSKGJHSGHRSS-XHSDSOJGSA-N 386.445 0.456 0 1 GCAF O=C(Cc1ccccc1)N[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O 3589170 SNASQQZXAQOOIZ-IKGGRYGDSA-N 399.447 0.253 0 1 GCAF Cc1nc2ccc(N[C@@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)cc2c(=O)n1-c1ccccc1 17261466 PEZKKVKHQLCXFX-ZSYWTGECSA-N 383.404 0.545 0 1 GCAF CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)C(=O)N(CC(N)=O)c2ccccc21 962930123 KJKSBUZIASMRRS-NRFANRHFSA-N 378.432 0.610 0 1 GCAF Cc1ccc(CN2C(=O)[C@H]3C[C@@H](O)CN3C3(CN(Cc4cccnc4)C3)C2=O)o1 2356294919 SKKOGJMMTVNOOB-SJLPKXTDSA-N 396.447 0.542 0 1 GCAF O=C1[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccn3)C2)C(=O)N1Cc1cccnc1 2356440438 BGZVKYGFVYSBFP-QZTJIDSGSA-N 393.447 0.035 0 1 GCAF CC[C@@H](C)C(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)O)cc2)[C@@H](O)[C@H](O)[C@H]1O 2356522062 VVIJOILLLJEILW-RJPSIDQRSA-N 384.381 0.161 0 1 GCAF COc1cc(O)c2c(=O)oc3c(c2c1)[C@](C)(O)C[C@H](OC)[C@]31C[C@@H](O)C(=O)O1 2356389693 DXDVGVFRBGQXNB-ONFSWIKTSA-N 392.360 0.637 0 1 GCAF CON(CCCCC=CCCc1cccnc1)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356807580 XWRMANWKWCSNMX-UJMXGEILSA-N 396.484 0.404 0 1 GCAF Nc1nonc1-n1nnc(C(=O)NCCc2ccncc2)c1CN1CCCC1 13524602 QLCBIEOZCKHSOS-UHFFFAOYSA-N 383.416 0.196 0 1 GCAF NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCC(=O)N1 26838776 LGVQPHFNYDQRNG-ZNMIVQPWSA-N 378.473 0.197 0 1 GCAF O=C(/N=c1/[nH]c2ccc(S(=O)(=O)NCc3ccccc3)cc2[nH]1)NCCO 95595824 ASIWMOCQRHQRRD-UHFFFAOYSA-N 389.437 0.577 0 1 GCAF CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1 95886641 WAPGLMAYCIMBJK-VSZNYVQBSA-N 391.468 0.747 0 1 GCAF COc1cc2nc(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2cc1Cl 587218212 HULPVKHTXVKNGR-IUCAKERBSA-N 398.803 0.529 0 1 GCAF Nc1ncnn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc(-c3ccccc3Cl)c12 1911576807 OYVQOEFNEJLRFL-MIGQKNRLSA-N 376.800 0.786 0 1 GCAF COC[C@@H]1C(=O)[C@@]23[C@H]4O[C@H]5O[C@@]2(O)[C@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]52[C@H]3CC[C@H]41 2356418831 YJQFQYKJRHXIQA-TUZVOHISSA-N 394.464 0.446 0 1 GCAF C[C@@]1(O)[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21 13783255 MMPAUXMIDJWGFO-NVIHGZOMSA-N 383.836 0.836 0 1 GCAF COC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1 26466803 GUTGOHPTMQPGTD-HUUCEWRRSA-N 397.472 0.137 0 1 GCAF NC1=NON[C@@H]1N1N=N[C@H](c2nc(-c3ccncc3)n[nH]2)[C@H]1CN1CCCCC1 100060913 QOSJHIAXUCUPLN-IIYDPXPESA-N 397.447 0.578 0 1 GCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)N1 587832201 ZOBODWGQPKWUOT-BQHGUJCSSA-N 378.238 0.627 0 1 GCAF O=C1N[C@H](CC2CCCCC2)C(=O)N2CCN(C(=O)[C@H]3CSCN3)C[C@H]12 25417357 MXKDAHIRTFOHRR-RBSFLKMASA-N 380.514 0.157 0 1 GCAF biogenic N=C(N)NCCC[C@@H](CN1CCCCC1)NC(=O)[C@H](N)Cc1ccc(F)cc1 29126389 QNBNBZCNHHZCFZ-ZWKOTPCHSA-N 392.523 0.929 0 1 GCAF O=c1[nH]c(=O)n([C@@H]2C[C@H](CO)[C@@H]2CO)cc1/C=C/I 29481611 HWPXJXBVZHCSHZ-NJJACTBESA-N 378.166 0.104 0 1 GCAF O=C(C[C@H]1C=C[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCCc1ccncc1 95904516 VVYNGGPXLPIKCY-QYZOEREBSA-N 396.447 0.640 0 1 GCAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)O)N1 587836199 ZOBODWGQPKWUOT-AKYFYIHPSA-N 378.238 0.627 0 1 GCAF Nc1cccc(C(=O)N2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 1911585395 KBEVPEAJPAROJU-UHFFFAOYSA-N 388.449 0.514 0 1 GCAF COc1ccc(CN2C(=O)[C@H]3C[C@@H](O)CN3C3(CN(CC4CC4)C3)C2=O)cc1 2356290251 MTPMLMIGNMQZIL-SJLPKXTDSA-N 385.464 0.464 0 1 GCAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NCc3ccccc3)[C@H](O)[C@H]2O1 2356642443 HMPZMUQSRWOSEE-KWWJQKEASA-N 391.468 0.686 0 1 GCAF CC(C)NC(=O)NC[C@@H]1OC[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O 2356737650 NIMFJIHKWMARSX-OWCLPIDISA-N 385.486 0.016 0 1 GCAF CNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NC)ccc1CC2 36379099 UPNMPZFREBGMGY-UHFFFAOYSA-N 394.474 0.832 0 3 GCAF CN(C)Cc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2cccnc2)nn1 8254179 SHANKEBLIVIWFB-QRQLOZEOSA-N 383.500 0.762 0 1 GCAF biogenic OC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4CCCc5ccccc54)ncnc32)[C@@H](O)[C@@H]1O 25992543 DXHLGWYQWDVEAA-PFLZLVAZSA-N 397.435 0.927 0 1 GCAF OC[C@@H]1O[C@@H](n2cnc3c(N[C@H]4CCCc5ccccc54)ncnc32)[C@@H](O)[C@@H]1O 25994136 DXHLGWYQWDVEAA-WESSWTGZSA-N 397.435 0.927 0 1 GCAF Nc1nccc(-c2cc3c(-c4ccnc(N)n4)c4c(=O)cc[nH]c4n3c(N)n2)n1 28568072 JICVFLJJYZMRHA-UHFFFAOYSA-N 386.379 0.836 0 1 GCAF CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc4c(c3)CCO4)C(=O)N2[C@H]1C(=O)O 40492250 COYRKOYHQSMYGA-NFFDBFGFSA-N 391.449 0.253 0 1 GCAF CN(C)C(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccccc1 95880430 UCVLSXWJAPQKBP-IAAVTCLWSA-N 381.432 0.741 0 1 GCAF Cn1ccnc1[C@H](NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)c1ccccc1 95921400 KPWKGDCQLFIJMC-BURFUSLBSA-N 397.435 0.298 0 1 GCAF in-vitro CN1C(=O)N(C)C(=O)C([C@@H]2CC[C@@H]3OC[C@@H]2O3)([C@@H]2CC[C@@H]3OC[C@@H]2O3)C1=O 100151297 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C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H]2OC(=O)[C@@H](O)[C@H]2O)N1 587851979 YVDBJKLEEXVWAK-DCTILCHWSA-N 390.205 0.172 0 1 GCAF CN(C)CCCNC(=O)C[C@H]1CC[C@@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1 95676023 IHGRXRHOBYYXJU-KZNAEPCWSA-N 392.500 0.107 0 1 GCAF C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587829015 PTGLJQVMVILWNZ-XXJULQFISA-N 378.238 0.627 0 1 GCAF C[C@H]1C[C@]2(C)O[C@]1(O)[C@H]1C(=O)O[C@@]34C[C@@H](C)[C@]5(C)O[C@]13[C@@H](C[C@H]4[C@H]5O)C2=O 2356340968 CHADCZMFKCJUSP-SLJPLHQXSA-N 378.421 0.549 0 1 GCAF O=C1[C@H]2C[C@H](O)CN2C2(CN(Cc3ccccn3)C2)C(=O)N1Cc1cccnc1 2356440440 BGZVKYGFVYSBFP-ZWKOTPCHSA-N 393.447 0.035 0 1 GCAF COc1cc(O)c2c(c1)[C@H]1O[C@H]([C@@H](O)C[C@@H]1O)[C@H](O)C=CC[C@H](C)OC2=O 2356539213 GNDKUQOAVULHDO-XXVQTKFMSA-N 380.393 0.819 0 1 GCAF COc1cc(O)c2c(c1)[C@H](O)[C@H](C[C@H](O)[C@H](O)C(=O)CCC[C@@H](C)O)OC2=O 2356676428 SQYAYCYQGHSUJQ-WWYSXHRRSA-N 398.408 0.205 0 1 GCAF COc1ccc(CN2C(=O)c3cccn3[C@]3(CC(=O)NC3=O)C2=O)cc1OC 13781468 PVMRMOAKXPWFPL-IBGZPJMESA-N 383.360 0.430 0 1 GCAF CCNC(=O)C(=O)[C@@H](CC)NC(=O)[C@@H](CC(C)C)NC(=O)c1cnccn1 27330872 HDJUEANOIWSJBJ-CHWSQXEVSA-N 377.445 0.221 0 1 GCAF CC1=C[C@H](O)[C@]2(O)C(=O)c3c(O)cccc3O[C@@]2(C)[C@H]1OC(=O)CCC(=O)O 1911583474 CJLMLHNXRQHXCE-TUCQFJRYSA-N 392.360 0.555 0 1 GCAF O=C(O)CCCCCCCC=CCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356348921 LJXIPNPVSLDERM-QRIFCXAISA-N 376.446 0.565 0 1 GCAF Cc1[nH]c(=O)c(C(C)C)nc1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)O 2356422737 UWRBCOGQVDTYGV-VXGBXAGGSA-N 380.445 0.936 0 1 GCAF Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@@H](NC3CCN(C)CC3)[C@@H]2O)cc1 2356628949 LTJSDSPDILAKBO-SQNIBIBYSA-N 383.514 0.085 0 1 GCAF COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3cc(C)cc(C)c3)[C@@H]21 2356847134 OTYWYQLXKGMGQW-HMDCTGQHSA-N 393.509 0.239 0 1 GCAF NC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 4479733 KUXUIOIWNJNSIB-ZDUSSCGKSA-N 388.424 0.470 0 3 GCAF NC(=O)CO[C@@H]1CO[C@@H]2[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)CO[C@H]12 4222758 SBNICJFKKXUXRA-BURFUSLBSA-N 392.433 0.155 0 1 GCAF biogenic CNC(=O)CNc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O 13676871 XDRLMKSDEQBWPX-WCYMFGLZSA-N 397.435 0.895 0 1 GCAF COc1cc(O)c2c(c1)O[C@@H]1[C@@H](O)Oc3cc(OC)c(OC)cc3[C@@]1(O)C2=O 14928793 CJIMGNHPOXRALG-CEXWTWQISA-N 390.344 0.960 0 1 GCAF biogenic CC(C)(CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1 29415235 XZOAORCZMOWSAB-YBKUAAOGSA-N 399.451 0.828 0 1 GCAF OC[C@@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@@H](O)[C@@H]1O 29416206 QNQVVNSRYWTXJV-DZIWXPPMSA-N 399.451 0.873 0 1 GCAF O=C(C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NC1CCCCC1 95676154 NIFMHKNMYGHVIX-KZNAEPCWSA-N 397.516 0.182 0 1 GCAF Cc1ccc2c(ccc3nc(C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c32)n1 587217898 DDKSTYDBFJPBIZ-SMDDNHRTSA-N 399.407 0.724 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNCc3cnccc3Cl)[C@@H](O)[C@H]2O1)NC1CC1 2356289225 RPOUUDRMATWMJF-IVFVNLKQSA-N 381.860 0.779 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(SCc4ccccc4)nc(F)nc32)[C@@H](O)[C@@H]1O 17376106 VCRUCRQMQNMLHN-YGSHXTJESA-N 392.412 0.869 0 1 GCAF COc1ccc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3NC(C)=O)ccc2c1 40690589 GFSIFEXCCUQDFW-QTMHVTGLSA-N 377.393 0.171 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(N[C@@H]4CCOc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 48995295 ZYNGQOBUZLONDV-WXIDQOIMSA-N 399.407 0.374 0 1 GCAF CN1CCN(C(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3CC3CC3)O2)CC1 95884923 PGGJSCYCRKXAAF-OKYOBFRVSA-N 381.517 0.170 0 1 GCAF O=C(C[C@H]1CC[C@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCc1ccncn1 95907398 MFWHVJQQCSLWHQ-IXDOHACOSA-N 385.424 0.216 0 1 GCAF O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1OCCCN1CCN(c2ncccn2)CC1 101027268 YNKFXGPBJSWKHI-LUKYLMHMSA-N 383.452 0.727 0 1 GCAF CN(C)Cc1cn([C@@H]2CO[C@@H]3[C@@H](NC(=O)NCc4ccccc4)CO[C@H]32)nn1 25419824 ZIPMLYVXGLKRHW-MLHJIOFPSA-N 386.456 0.546 0 1 GCAF biogenic CC(=O)Nc1ccn([C@H]2CS[C@@H](COC(=O)P(=O)(O)O)O2)c(=O)n1 26292277 HSUPUTCTFNFQQU-BDAKNGLRSA-N 379.287 0.104 0 1 GCAF CSc1nc(NCCC(C)C)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1 32233467 UCHSYUFALMKBBW-ADGXKJENSA-N 383.474 0.618 0 1 GCAF biogenic Cc1c(C(=O)N2CCN([C@H]3C[C@H]3F)CC2)cnn1-c1nc(=O)c2cccn2[nH]1 1857597666 WHJIDGMNRGFEOW-HIFRSBDPSA-N 385.403 0.385 0 1 GCAF Cn1c(=O)n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c(=O)c2ccccc21 1857749516 VWXDJBMCANNFGU-HNNXBMFYSA-N 381.388 0.512 0 1 GCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3cccnc3OC)[C@H](O)[C@@H]2O1 2356289445 VVYQEXGDEOMVDS-ONMISFSYSA-N 379.457 0.382 0 1 GCAF CC[C@@H]1O[C@H](OCCC=CC[C@@H]2C(=O)CC[C@@H]2CC(=O)O)[C@H](O)[C@H](O)[C@H]1O 2356347787 MUTMEENBPQXSKZ-HEUWPCOLSA-N 386.441 0.627 0 1 GCAF CCC(=O)[C@@]12N[C@H]3C[C@@]4(C(=O)N(OC)c5cc(OC)ccc54)[C@@H](OC[C@H]31)[C@H]2O 2356485837 USWBRERBVGYKQZ-YNAGOMCNSA-N 388.420 0.310 0 1 GCAF CC(=O)Nc1ccc2cc(O[C@H]3O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)ccc2c1 2356622822 NEAYHWVHKDPIJA-LFRCEIEQSA-N 377.349 0.069 0 1 GCAF Cc1nc2c(o1)-c1c(O)cc(C)c3c1=C(C2=O)C(=O)[C@]1(O)C=3O[C@@H](C)C1(C)C 2356717964 HYEFHQJWCGRMCN-PPRQPISWSA-N 381.384 0.878 0 1 GCAF CC1(C)[C@@H]2C[C@@H]3OC(=O)[C@]45C[C@@H](C[C@H](O)[C@@H]4[C@]34CO[C@H](O2)[C@@H]14)[C@@](C)(O)C5=O 2356847181 OULZISXDECDWIJ-LTUQYOHUSA-N 378.421 0.407 0 1 GCAF CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1O 15119404 VYBLJNNXIQJRSF-JNNRSPCRSA-N 385.424 0.728 0 1 GCAF biogenic CC(=O)OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O 86006365 OKBDSNUMGBVAFI-OVWQWFNUSA-N 380.349 0.995 0 1 GCAF CC(C)c1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccccc1O 95580168 YVHDFGWGGAZRJG-YRHQEJDOSA-N 394.424 0.008 0 1 GCAF O=C(CN1CCOCC1)N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO 95903438 DICINUGHTLCIMB-OKZBNKHCSA-N 397.516 0.040 0 1 GCAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cnnc(O)c3[nH]2)[C@@H](C)O)cc1 586934679 HYMFLLKIHGIYFL-PELKAZGASA-N 379.398 0.468 0 1 GCAF COc1cc2c3c(c1)O[C@](C)(CC(=O)NCCNC(=O)CC(C)=O)[C@@H](C2)C3=O 587432368 KXZMXYRPKXMIMQ-VBKZILBWSA-N 388.420 0.803 0 1 GCAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)[C@H](O)[C@@H]2O 1857754403 ADJURXYYBZJFNA-RZYRLLJHSA-N 392.404 0.698 0 1 GCAF O=S1(=O)C[C@H](N2CCN(c3ncccn3)CC2)CN1Cc1ccc(F)cc1 96021096 ZUBDIUJKVGGSOO-QGZVFWFLSA-N 391.472 0.952 0 3 GCAF C=CCO[C@@H]1CCN2C(=O)[C@H]3CN(C(=O)c4ccc(OC)cc4)CCN3C(=O)[C@H]12 4277756 SXKOUHKPTGEEKB-KURKYZTESA-N 399.447 0.534 0 1 GCAF biogenic CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc1 13143491 UNDMIJOXJYGGOU-JLUCKKNBSA-N 378.406 0.973 0 1 GCAF NS(=O)(=O)O[C@@H]1[C@H](O)C[C@@H](O)C[C@H]1OCCCC[C@@H]1CCCCC1=O 27525693 APPMCQPJBMZYHR-OVJXPFRRSA-N 379.475 0.406 0 1 GCAF NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCC(=O)O)n2)cc1 55669663 YEHQXDOOSDRWKW-UHFFFAOYSA-N 386.821 0.324 0 1 GCAF COCc1cn(CC[C@@H]2CC[C@H](NC(=O)Cc3cccnc3)[C@@H](CO)O2)nn1 95907039 CPRKXMBGMLHECS-OKZBNKHCSA-N 389.456 0.477 0 1 GCAF NC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1c1ccccc1 113490242 VHMDRYLVGFQCNJ-IAGOWNOFSA-N 379.416 0.964 0 1 GCAF 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GCAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@@H](O)[C@H](O)[C@H](O)CO)N1 587835973 YVPNUHKCOCXZAY-MKBNDSBCSA-N 378.238 0.629 0 1 GCAF C[C@H]1[C@H]2C(=O)N[C@H](Cc3nccn3Cc3ccccc3)N[C@H]2S[C@H]1C(N)=O 618014740 IJZHCRZBPGTYBJ-IMUYWTNOSA-N 385.493 0.699 0 1 GCAF CC(C)=CCc1c(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc2ccc(=O)oc12 2356673890 QPAYBYCPZSAASE-RFSOPEBBSA-N 392.404 0.480 0 1 GCAF OC[C@H]1O[C@@H](Oc2ccc(/C=C\c3cc(O)cc(O)c3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 15112536 RUOKEYJFAJITAG-QQZCGJIKSA-N 390.388 0.447 0 1 GCAF endogenous,in-man CC(=O)c1ccc(NC(=O)N2CCN[C@H](C(=O)N[C@H]3CCCNC3=O)C2)cc1 25431322 GEJHUNGEZMCRPA-HOTGVXAUSA-N 387.440 0.090 0 1 GCAF biogenic OC[C@@H]1O[C@@H](n2cnc3c(N[C@@H]4CCCc5ccccc54)ncnc32)[C@@H](O)[C@@H]1O 25992527 DXHLGWYQWDVEAA-BKFWEMOKSA-N 397.435 0.927 0 1 GCAF COC(=O)CC[C@@H]1CNC(=O)[C@H]2[C@@H](CCN2Cc2ccc(C(=O)O)cc2)N1C 2356849929 PYRNKMLMHXWOAU-JFIYKMOQSA-N 389.452 0.711 0 1 GCAF Nc1nc2c(ncn2C[C@@H](CO)C[C@H](c2ccccc2)P(=O)(O)O)c(=O)[nH]1 1633678 LDONEGMWBLHASZ-CMPLNLGQSA-N 393.340 0.619 0 1 GCAF O=c1ccn([C@@H]2O[C@H](CO)[C@@H](OC3Sc4ccccc4S3)[C@@H]2O)c(=O)[nH]1 28458748 CNKLBRJFEZUKPE-DSMZTOPNSA-N 396.446 0.354 0 1 GCAF COc1cccc(OC)c1OC(=O)[C@H](CN1CCOCC1)N1CCOCC1 29566944 DKLJTHUYSMCQEW-HNNXBMFYSA-N 380.441 0.642 0 1 GCAF O=C(C[C@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NCc1ccc2c(c1)OCO2 95887825 YFRMSEXFMHDWES-ADAWSYLGSA-N 378.425 0.319 0 1 GCAF Cc1cn([C@H]2C[C@H](SCC(=O)O)[C@@H](CSCC(=O)O)O2)c(=O)[nH]c1=O 96282335 SWDISIJKHWWPKD-KXUCPTDWSA-N 390.439 0.137 0 1 GCAF C[C@@H]1CO[C@@H]2C[C@@]34[C@@H]5C[C@@H](C(C)(C)C)[C@]36[C@H](OC(=O)[C@@H]6O)O[C@]4(C(=O)O5)[C@@]12O 101121423 ODJBPMBBULFPKZ-NRNCTSEBSA-N 394.420 0.133 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cnc3ccccc3c2[nH]1)C(=O)O 587220138 MUPOOFVYTYQRHE-PWSUYJOCSA-N 385.380 0.415 0 1 GCAF COCCNC(=S)NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCC[C@H]1COC 2356538944 WUVKCCCTCRNXEJ-BDXSIMOUSA-N 384.590 0.918 0 1 GCAF COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1cn(C)nc1C 13596703 WICSNXIKYXUXAE-QGZVFWFLSA-N 385.468 0.744 0 3 GCAF O=C(NCCO)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 4547806 PLUKWJWFFOMKBE-DOTOQJQBSA-N 376.457 0.765 0 1 GCAF CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)([C@@H](C)O)C(C)(C)O)[C@@H]12 15149042 XQRINBJLKOBTMI-FWYGIPPASA-N 397.468 0.305 0 1 GCAF biogenic O=C(NCCN1CCOCC1)c1nc(CS(=O)(=O)c2ccccc2)no1 15786743 LJLUHCRNSPYPDT-UHFFFAOYSA-N 380.426 0.106 0 1 GCAF OC[C@@H]1O[C@H](n2cnc3c(N[C@H]4CCCc5ccccc54)ncnc32)[C@@H](O)[C@@H]1O 25994151 DXHLGWYQWDVEAA-VKCURLPPSA-N 397.435 0.927 0 1 GCAF CCN1CN(Cc2cn(CC(=O)c3cccs3)nn2)S(=O)(=O)N1CC 45339458 GJSKXKSTTDQPLK-UHFFFAOYSA-N 384.487 0.799 0 1 GCAF O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1cccc(F)c1 95677065 SVHHNONGWSEYCY-BRWVUGGUSA-N 378.400 0.489 0 1 GCAF CCCNS(=O)(=O)c1ccc2c(c1)=C(NNc1ccccc1Cl)C(=O)N=2 200774888 NWLZCHHNXQGRAT-UHFFFAOYSA-N 392.868 0.913 0 1 GCAF CCCCN1C(=O)[C@H]2C[C@H](O)CN2C2(CN(Cc3cccc(OC)c3)C2)C1=O 2356511044 VXSZLKSCQPFQRS-FUHWJXTLSA-N 387.480 0.854 0 1 GCAF CCC(CC)C(=O)NC[C@@H]1O[C@H](CC(=O)NCc2cccnc2)[C@H](O)[C@@H]1O 2356561113 PVCMHYSRFXZHOL-MXSMSXNCSA-N 379.457 0.130 0 1 GCAF O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1)NCCCN1CCCC1=O 61969203 KZHMPEYTYKUIGG-KRWDZBQOSA-N 390.459 0.645 0 3 GCAF CN1CCNC[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C 23361065 AHOZQSJDGWQTGZ-ZDUSSCGKSA-N 375.404 0.131 0 1 GCAF N=C(N)c1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C(=O)O)cc2)cc1 95565806 OPAPWSBZIQAUJY-UHFFFAOYSA-N 376.394 0.586 0 1 GCAF Cn1cnc2cc(N3CCN(c4ccccn4)CC3)nc(NCCCN)c2c1=O 115626542 LQLMYOVSUXROJY-UHFFFAOYSA-N 394.483 0.811 0 1 GCAF O=C(O)c1c(=O)c2cc(F)c(N3C[C@H](O)[C@@H](O)C3)c3c2n2c(csc12)CO3 150576659 QSUPKEHLABCIMG-UWVGGRQHSA-N 392.364 0.786 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(Cl)c(F)cc2[nH]1)C(=O)O 587220020 MGZZLTZYBUBYAE-IUCAKERBSA-N 386.767 0.659 0 1 GCAF CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNCc2ccccn2)[C@H](O)[C@@H]1O 2356869241 XJZFPKJGPQYJRL-ZSXPUABSSA-N 385.464 0.709 0 1 GCAF CC(=O)N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)N1CCCN(C(C)=O)CC1 201438672 ZDLNVMXRVVTDRI-INIZCTEOSA-N 375.425 0.543 0 3 GCAF CCNC(=O)C(=O)[C@@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)c1cccnc1 27330331 IBEAJSQPIKDSAN-CABCVRRESA-N 376.457 0.826 0 1 GCAF O=C(N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CC1 95903627 AKBNLSCHUNSEND-JYJNAYRXSA-N 378.473 0.865 0 1 GCAF O=C(N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO)c1ccccn1 95905576 IMYXICHLXCMOQK-XYJFISCASA-N 391.468 0.653 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5CC[C@@H]4C5)nc(Cl)nc32)[C@H](O)[C@@H]1O 101212207 AEOCPQUDPJKEQV-PWYGRWJGSA-N 395.847 0.692 0 1 GCAF Cc1cc(Cl)cc2nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c12 587217471 CVNKGLIEEOLTJU-NXEZZACHSA-N 382.804 0.829 0 1 GCAF CC(=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12)CO 2356574939 UKPSUWZPUAENNH-ODZKNYGOSA-N 397.468 0.162 0 1 GCAF CC1=NC(=S)N[C@H](c2cccc(O)c2)[C@@H]1C(=O)NCCOCCOCCN 169720104 GNHNKBZDRLRRQI-HZPDHXFCSA-N 394.497 0.507 0 1 GCAF O=C(O)[C@H](O)[C@@H](O)c1nc2c(Br)cnc(Br)c2[nH]1 586894035 XSODGHYEYWIVJC-PHDIDXHHSA-N 380.980 0.962 0 1 GCAF COc1cc(C[C@]2(O)CO[C@](O)(c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O 14495737 BCDMAKZFWCATFJ-HSALFYBXSA-N 392.404 0.873 0 1 GCAF biogenic COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)c2ccco2)CCN1 25417609 HFNJOUZRJPDILM-JKSUJKDBSA-N 385.420 0.594 0 1 GCAF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H]2OC(=O)[C@@H](O)[C@H]2O)N1 587846026 CRAWNBFPIFYPCP-VUUYHNGSSA-N 390.205 0.172 0 1 GCAF Cc1ccc(S(N)(=O)=O)cc1[C@@]1(C)N[C@@H](C(=O)O)Cc2c1nn(C)c2C 962705856 FTBJUNIBKHDVQK-RHSMWYFYSA-N 378.454 0.547 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3ccccc3Cl)[C@H](O)[C@@H]2O1 2356290208 LXPCFNBDTXSNCY-FVNRHKFKSA-N 398.887 0.868 0 1 GCAF CCNC(=O)O[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2n1nnnc1Sc1ncccn1 2356320251 PSBVYGXVVYMRON-ZNSHCXBVSA-N 379.402 0.068 0 1 GCAF COc1ccc2c(c1)OC(N)=C1C(=O)N(CCCN3CCOCC3)C(=O)C[C@@H]12 206393627 FJPWZNNNSZTYTN-OAHLLOKOSA-N 387.436 0.823 0 3 GCAF Cc1cc2c(cc1Cl)S[C@H](C1C(=O)NC(=O)NC1=O)NS2(=O)=O 3611291 VLEMSTJEJTVXGK-LLVKDONJSA-N 375.815 0.341 0 1 GCAF O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1-c1ccc(Br)s1 3834167 IGUZFFOBAZCVRK-SOCHQFKDSA-N 389.227 0.668 0 1 GCAF CC(C)[C@H](N)C(=O)OCN1C(=O)CC[C@@H](N2C(=O)c3ccccc3C2=O)C1=O 13911378 CDFDXHJVZKXONN-HIFRSBDPSA-N 387.392 0.284 0 1 GCAF CO[C@@]1(NC(=O)Cc2ccccc2)C(=O)N2C(C(=O)O)=C(CSC)CO[C@@H]21 27559930 FXTNIQGHLSLCAT-MSOLQXFVSA-N 392.433 0.588 0 1 GCAF CC(C)[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O 39809483 MHHAWNPHDLCPLF-BBWFWOEESA-N 392.500 0.396 0 1 GCAF biogenic CN(CC(=O)Nc1ccccc1)C[C@@H](O)Cn1c(=O)c2ccccc2n(C)c1=O 169329631 QKYNHSIKNLUBFR-MRXNPFEDSA-N 396.447 0.632 0 1 GCAF COC[C@H]1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O 238763444 JXNJRPBFAVZWNL-NHHFKFEVSA-N 396.480 0.082 0 1 GCAF COC[C@H](C)NC(=O)c1ccc2ccc(N3CCN(S(C)(=O)=O)CC3)n2c1 1772588817 NIXLKXSXNOEUGT-AWEZNQCLSA-N 394.497 0.786 0 1 GCAF COc1cc([C@@H]2OC[C@](O)(C[C@@H]3CC[C@H](O)[C@@H](OC)C3)[C@@]2(O)CO)ccc1O 2356354624 NUMDNVCHZUJORS-SFWYPSEMSA-N 398.452 0.493 0 1 GCAF CC=C(C)C(=O)O[C@@H]1C[C@@H]2[C@H]3C[C@@H](CN2C(=O)[C@@H]1O)[C@H]1C[C@@H](OC)CCN1C3 2356544014 YVQJCCQBPAKQKB-YUKVWFQKSA-N 392.496 0.955 0 1 GCAF CC(=O)[C@@H]1[C@H](O)[C@H](O)[C@@]2(O)[C@]3(O)CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356633079 OFRHDDLUFVBVKA-XKWDIDABSA-N 382.497 0.767 0 1 GCAF OCCNc1ncnc2c1ncn2[C@H]1CN(Cc2cccs2)C[C@@H](CO)O1 61904310 ORLHGHPMMKIODQ-GXTWGEPZSA-N 390.469 0.684 0 3 GCAF Cc1ncc(COP(=O)(O)O)c(CN[C@@H](CCC(=O)O)C(=O)O)c1O 12501127 JMRKOGDJNHPMHS-JTQLQIEISA-N 378.274 0.113 0 1 GCAF in-vivo CCCc1nnc(Cc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)s1 45338305 KBRZNWFRKVRTQP-CUWKQTPXSA-N 380.466 0.596 0 1 GCAF Cc1nn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2c1N=NN(Cc1ccccc1)[C@H]2O 49019354 GARMTAXCAGSZAE-OFGYBXGMSA-N 375.385 0.308 0 1 GCAF CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1 95885157 OSTXBBBXOSEBLK-LTIDMASMSA-N 377.441 0.357 0 1 GCAF O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccncn1 95905414 DDMOSXHNDSWOGY-RCCFBDPRSA-N 384.436 0.821 0 1 GCAF Nc1ncnc2c(CN3C[C@H](CCSCCOCCO)[C@@H](O)C3)c[nH]c12 150297495 NLPFBCRTOQVKFZ-JSGCOSHPSA-N 381.502 0.465 0 1 GCAF in-vitro OC[C@]1(O)CO[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@@H]1O 299838607 NDPJAPVEHJGHOR-XKQJLSEDSA-N 391.815 0.705 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(C(=O)O)cc2[nH]1 587223033 VEJCLDOQKSUGDX-SCZZXKLOSA-N 378.341 0.085 0 1 GCAF C[C@H](O)[C@H](O)[C@@H](O)[C@]1(CO)N[C@H](C)Cc2ccc(F)c(Br)c21 587826567 DZOUYTCTGSJYHD-FCTTVLLRSA-N 378.238 0.413 0 1 GCAF CS(=O)(=O)N1C[C@H]2COCCN2C2(CN(C3CCC(F)(F)CC3)C2)C1 2356289013 OCNXZDIBICTPNE-AWEZNQCLSA-N 379.473 0.595 0 1 GCAF O=C(c1ccccc1)N1C[C@H]2COCCN2C2(C1)CN(C(=O)c1ccno1)C2 2356386594 PFXDJRWZQMSCKU-INIZCTEOSA-N 382.420 0.726 0 1 GCAF CC=C(C)C(=O)O[C@@H]1CCN2C[C@H]3[C@H](O)[C@@H](CN4C(=O)[C@H](O)CC[C@H]34)[C@@H]2C1 2356566960 ATRRNWLGGVBVEO-MBEHMYBOSA-N 378.469 0.301 0 1 GCAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1OC[C@](O)(CO)[C@@H]1O 27104805 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376.405 0.356 0 1 GCAF Nc1ncnc2c1nc(SC1CCCCC1)n2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49785212 QQFLKGATWRIYHZ-CGEWXTDFSA-N 381.458 0.445 0 1 GCAF O=C(NCC(F)(F)F)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)C1CC1 95879072 SBEKOSUKPONTSV-DWZYQQQCSA-N 399.369 0.427 0 1 GCAF CNC(=O)c1c(NC(=O)c2nc(C(C)=O)cnc2Nc2cncnc2)cnn1C 169701807 UYVJTRCCFILZRE-UHFFFAOYSA-N 395.383 0.558 0 1 GCAF Cc1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(C(=O)c3ccccc3)c2)[nH]c1=O 199315905 ZMRYKFOPRRTLBO-YZLQMOBTSA-N 398.422 0.983 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)OCCO3 587218984 JIFLFRROHQNGFZ-BDAKNGLRSA-N 392.368 0.158 0 1 GCAF CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@@H]1C(=O)NCCNC(C)=O 2356745733 SZXHNATVQWJCNE-IAGOWNOFSA-N 376.457 0.199 0 1 GCAF COc1cccc(-c2nc(-c3cnccn3)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)n2)c1 5849662 BVGMWMNHVBJEKV-JTOWHCCKSA-N 385.380 0.022 0 1 GCAF O=c1[nH]c(=O)n(COC(CO)CO)cc1Cc1cccc(OCCCF)c1 13743504 DQDHGOKDAJBXQY-UHFFFAOYSA-N 382.388 0.193 0 1 GCAF 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390.392 0.212 0 1 GCAF COc1cc2c(c(OC)c1OC)C(=O)O[C@]21[C@@H]2C(=C[C@H](O)[C@H]1O)CCN2C 2356518745 ARKFTBZTMGGQCK-XNKSSIQNSA-N 377.393 0.444 0 1 GCAF NCC(=O)Nc1cccc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)c1 36381000 ITNCYPYTFKVCFI-UHFFFAOYSA-N 385.453 0.125 0 1 GCAF in-vitro O=C(N[C@@H](CO)c1ccccc1)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2 45338963 LMYWSXWPDVINEK-WJFTUGDTSA-N 382.416 0.989 0 1 GCAF O=C(C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NCCCN1CCOCC1 95904017 VSEYOWDNEXZEFM-KURKYZTESA-N 397.516 0.040 0 1 GCAF CC(C)C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccccc2OCCN(C)C1=O 618017367 JRTYPGVFTSWOJV-KMFMINBZSA-N 391.468 0.548 0 1 GCAF CCCCN1C(=O)[C@H]2C[C@H](O)CN2C2(CN(Cc3ccc(OC)cc3)C2)C1=O 2356291500 WDDALOGIJRPOCZ-FUHWJXTLSA-N 387.480 0.854 0 1 GCAF CN1CCN(C(=O)[C@H]2CCC[C@@H](NCc3nccn3C)CN(C)C(=O)C2)CC1 2356471980 HEBCQJIUHNXGRX-DLBZAZTESA-N 390.532 0.301 0 1 GCAF CS[C@@H]1C(=O)N(C)[C@H](Cc2ccc(OC[C@H](O)C(C)(C)O)cc2)C(=O)N1C 2356728265 DXKZHOFMXXPYED-RVKKMQEKSA-N 396.509 0.728 0 1 GCAF CC(C)NC(=O)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCC(=O)O)cc2)C1 15671846 LPBLNDQPNDOXNS-HZPDHXFCSA-N 393.440 0.823 0 1 GCAF biogenic Cc1c(OCCN2CCN(C)CC2)ccc2c(=O)nc(N3CCOCC3)oc12 28713200 GIEXDNCJZGFTFT-UHFFFAOYSA-N 388.468 0.959 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 48995477 FSKMJUWPFLDDRS-RNIZTFPLSA-N 383.408 0.537 0 1 GCAF OC[C@H]1O[C@]2(ON=C(c3ccc(-c4ccccc4)cc3)S2)[C@H](O)[C@@H](O)[C@@H]1O 62178896 ZPKCZURPPJKLRJ-ILYVXUQDSA-N 389.429 0.906 0 1 GCAF O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS[C@H]1c1cccnc1 73141336 NPBKXNGCVMAOEW-SFHVURJKSA-N 382.401 0.983 0 1 GCAF O=C(C[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1)NC1CCC1 95903657 RQCGLZCALDVTRY-HYVNUMGLSA-N 398.456 0.847 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)O[C@@H]1[C@@H]2C[C@H]3[C@H](CO[C@H]31)C2)c1ccccc1 253632403 BTBGNDKVXHABNK-CJPFOZNDSA-N 388.420 0.613 0 1 GCAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc(S(N)(=O)=O)cc41)[C@@H](C2)C3=O 587450829 VCCKYHVTEJAKGQ-KPZWWZAWSA-N 386.385 0.938 0 1 GCAF NC(=O)Nc1ccc(-c2cn3c(O)c4ncn(COCCO)c4nc3n2)cc1 3626341 VOKVOHOHTDPQBM-UHFFFAOYSA-N 383.368 0.909 0 1 GCAF COc1cc(/C=c2\[nH]c(=O)/c(=C/c3ccccn3)[nH]c2=O)cc(OC)c1OC 28016674 MNKNPUAGJJAJFW-LVDXQPJESA-N 381.388 0.142 0 1 GCAF NC(=O)c1nc(-c2n[nH]nc2-c2ccc(C(F)(F)F)cc2)n(COCCO)n1 66252392 HQQUGYWMXCXDER-UHFFFAOYSA-N 397.317 0.814 0 1 GCAF CC1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)c3ccccc3)[C@H](O)[C@@H]2O)CC1 2356822981 GHSKGMDGAKPIHP-ISARSNTHSA-N 376.453 0.554 0 1 GCAF COC(=O)[C@]1(C)N[C@H](CN(C)C(=O)c2ccc(C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 61947136 UWIBAHCNWTXQMF-IGMJJTELSA-N 387.436 0.202 0 3 GCAF O=C1NC(=O)[C@H]2[C@H]1C1(c3ccccc3)NC2(c2ccccc2)[C@H]2C(=O)NC(=O)[C@@H]21 4173759 HUIJEPIOIVWLJF-ZIVZUVSISA-N 387.395 0.172 0 1 GCAF COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1N2C(=O)[C@@H](N)[C@H]2SC1(C)C 5963855 OZEYWJWVMHVMDJ-RSUWNVLCSA-N 377.466 0.277 0 1 GCAF CCCC/C=C/c1nc(N)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1 13759776 UWLLGYMGKGHTKE-CQKYTEJKSA-N 390.444 0.367 0 1 GCAF CCOC(=O)NCc1ccc(O[C@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1 14444012 VMTHKXYSTHHGCH-DHIJGFHKSA-N 383.397 0.710 0 1 GCAF endogenous,in-man CC(C)[C@]1(O)[C@H](O)[C@@H]2O[C@@]23[C@@]2(C)CCC4=C(COC4=O)[C@@H]2C[C@@H]2O[C@@]23[C@@H]1O 14823619 DYVDZVMUDBCZSA-LZVGCMTRSA-N 378.421 0.058 0 1 GCAF in-vitro OC[C@H]1O[C@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O 49785213 YRFQIOJJXMEZGA-GDLHICMESA-N 391.815 0.703 0 1 GCAF CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)CN1CCOCC1 95895171 ZFUOFKKSDQWECY-SQGPQFPESA-N 375.469 0.200 0 1 GCAF CC(=O)O[C@H]1C[C@@](C)(OC(C)=O)C(=O)CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(CO)=C12 238760540 BPDADBRYLMRNAV-NGOBPPTFSA-N 396.392 0.365 0 1 GCAF Cc1c(O)ccc2c1[C@](C(=O)O)(c1ccc3c(c1)NC(=O)CO3)N[C@H](C(=O)O)C2 963489972 JNHFPIKUFWCKKB-RBZFPXEDSA-N 398.371 0.959 0 1 GCAF Cc1c(Oc2cnc(C(=O)N3CC(O)(C(C)C)C3)cn2)ccc2c1B(O)OC2 1772598439 HMSLCFDIXMJOTH-UHFFFAOYSA-N 383.213 0.638 0 1 GCAF C[C@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2nccs2)C1=O 1857562712 GTEVOBBNXYPRET-OAHLLOKOSA-N 394.434 0.440 0 1 GCAF CN1CCN(C(=O)[C@H]2CCC[C@@H](NC3CCOCC3)CN(C)C(=O)C2)CC1 2356341055 FJKMLMWCJJSUDF-FUHWJXTLSA-N 380.533 0.546 0 1 GCAF C[C@H](CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 36272566 VIXRHETYMQEYNK-MFVMWPSOSA-N 385.424 0.653 0 1 GCAF C[C@@H]1O[C@H](OC(=O)C2=C[C@@]3(O)CC(C)(C)C[C@]34[C@H](C)CC[C@@H]24)[C@H](O)[C@H](O)[C@@H]1O 36375407 QEZOAVXNNSLPOZ-FICVSLRRSA-N 396.480 0.881 0 1 GCAF CCOC(=O)C[C@H]([C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC)N1CCC[C@H]1C(=O)O 103290857 VVPIIRKCCPZJEM-YCRNYQIISA-N 387.429 0.749 0 1 GCAF COc1cccc2cccc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)c12 238788504 SLEYETWDYDKDJI-IQZDNPOKSA-N 378.377 0.598 0 1 GCAF C[C@H](O)[C@H](O)[C@@H](O)[C@]1(CO)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614575 CQJJDCQMVDMYJG-QYNXVXLWSA-N 376.361 0.188 0 1 GCAF CC(=O)OC[C@]1(OC(C)=O)C=C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2356675035 DNBQVMSZEVMVEK-MWDXBVQZSA-N 386.353 0.216 0 1 GCAF O=S1(=O)C[C@H](N2CCN(CC3CC3)CC2)[C@@H](COCc2ccccc2)N1 72141108 DMKFWAAYCXYTNT-MOPGFXCFSA-N 379.526 0.901 0 3 GCAF COC(=O)[C@H](C)N1CCCO[P@@]1(=O)COCCn1cnc2c(N)ncnc21 45253007 QTXSHFDCQVMVAE-RNUGCUGFSA-N 398.360 0.860 0 1 GCAF CN(C)CC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccccc2F)O[C@H]1CO 95906990 RKEDVRHSWVNUQX-UAGQMJEPSA-N 381.448 0.418 0 1 GCAF CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 169691451 UNDMIJOXJYGGOU-BAESOJJISA-N 378.406 0.973 0 1 GCAF CS(=O)(=O)/C=C/c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 586928132 XRBWTWLAEUWMFF-NYYWCZLTSA-N 378.454 0.328 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(Cl)c(F)cc2[nH]1)C(=O)O 587220019 MGZZLTZYBUBYAE-DTWKUNHWSA-N 386.767 0.659 0 1 GCAF C[C@H](O)[C@H](O)[C@@H](O)[C@@]1(CO)N[C@H](C)Cc2cc(Br)c(F)cc21 587825881 BLFUGWSTUPYFBY-NGWAOXGRSA-N 378.238 0.413 0 1 GCAF NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCN(c3ncccn3)CC2)c1 1772616146 WQPZTZYCMKZLAF-WAYWQWQTSA-N 380.408 0.419 0 1 GCAF COc1cc(O)c2c(c1CC=C(C)CO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)COC2=O 2356512747 CNPFAHSTHWYNNB-CKNFYHOISA-N 396.392 0.016 0 1 GCAF CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNCc2ccccn2)[C@@H](O)[C@@H]1O 2356869239 XJZFPKJGPQYJRL-UYWIDEMCSA-N 385.464 0.709 0 1 GCAF CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@@H]3[C@@H](OCC(=O)O)CO[C@H]32)cc1 2356874525 YWTJPAFRNBQSMT-BFJAYTPKSA-N 375.385 0.215 0 1 GCAF CS(=O)(=O)NCCN1CCC(COC(=O)c2cccc3[nH]cnc23)CC1 13491764 IFSDANIDRWECEK-UHFFFAOYSA-N 380.470 0.981 0 1 GCAF O=C(Cn1c(=O)[nH]c2ccccc21)Nc1ccc2c(c1)C[C@]1(C2)NC(=O)NC1=O 36177984 RIRRZWRHYGCNPR-FQEVSTJZSA-N 391.387 0.645 0 1 GCAF CCS(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](CO)O1 95678161 NFMKQITUWMOCLJ-XHSDSOJGSA-N 376.519 0.921 0 1 GCAF O=C1CN(S(=O)(=O)c2ccccc2)C(=O)CN1S(=O)(=O)c1ccccc1 136987115 NHASEHCTEAENPG-UHFFFAOYSA-N 394.430 0.435 0 1 GCAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2nc(Br)c[nH]c-2n1 586936746 AFJMNSLOHWPCNO-LURJTMIESA-N 386.235 0.840 0 1 GCAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1cc(S(N)(=O)=O)cn1C)O2 587411261 YVMLKHGPZCQLDN-INIZCTEOSA-N 379.394 0.508 0 1 GCAF COC(=O)COCC(=O)N1C[C@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356392664 KZBDWPAUZHULLC-FZMZJTMJSA-N 383.351 0.957 0 1 GCAF O=C(OCc1ccccc1)c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356466467 HHCASPHQHZVTKM-IHEQNBGGSA-N 390.388 0.222 0 1 GCAF COCCN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)Nc1c(C)cccc1C 199237295 QRSASRZPIHOCFV-GOSISDBHSA-N 397.497 0.751 0 3 GCAF Cc1cnc(N2CCN(C(=O)[C@@H]3CN[C@H](C(=O)N4CCCC4)C3)CC2)s1 29130679 AKQDDAGZOVUBQR-GJZGRUSLSA-N 377.514 0.701 0 1 GCAF O=C(Nc1ccc(F)cc1)N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO 95908177 TXBZUYXXZRGZTP-BBWFWOEESA-N 393.415 0.881 0 1 GCAF CNC(=O)c1c(NC(=O)c2nc([C@@H](C)O)cnc2Nc2cncnc2)cnn1C 169701809 PMQJLPMASZTUIL-SECBINFHSA-N 397.399 0.409 0 1 GCAF O=C1CC[C@@H](CCCCCCCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1 199818612 JIHQLTXNRUMMRM-IYTWNDGFSA-N 376.446 0.239 0 1 GCAF Oc1ccc([C@@H]2CCc3c(cc(O)cc3O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)O2)cc1 238753216 VPEUIUGPXMAUGW-WOCWYEKDSA-N 390.388 0.982 0 1 GCAF O=C(O)Cn1cc(I)c(-c2nc3c(O)ncnc3[nH]2)n1 587185483 MTFCKFCTHDCXCX-UHFFFAOYSA-N 386.109 0.611 0 1 GCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NCc3ccccc3)[C@@H](O)[C@H]2O1 2356288395 CPKBFKVRSIREEE-APWQULEDSA-N 391.468 0.688 0 1 GCAF CNC(=O)[C@H](C1CCCCC1)N1CCC[C@H]1C(=O)N1CCN(CCOC)CC1 2356298782 AOOWQADRATUIKN-OALUTQOASA-N 394.560 0.936 0 1 GCAF COC(=O)[C@H](CCSC)NC(=O)Cn1cnc2c(SC)nc(N)nc21 61947330 DRHNOUSOSJFUNE-QMMMGPOBSA-N 384.487 0.541 0 3 GCAF OC[C@@H]1O[C@H](Oc2ccc(/C=C\c3cc(O)cc(O)c3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 15112538 RUOKEYJFAJITAG-IUEBHPHWSA-N 390.388 0.447 0 1 GCAF endogenous,in-man CC(=O)O[C@@H](C)[C@H](/C=C/[C@@H]1O[C@@H]1[C@@H]1OC(=O)C=C[C@@H]1OC(C)=O)OC(C)=O 17126383 WSMOXQBLJXEQNX-MGTBIXLTSA-N 382.365 0.607 0 1 GCAF CC(C)NC(=O)N[C@@H]1CCN(C(=O)CC(C)(C)C)[C@H]1C(=O)N(C)CC(N)=O 25170800 CNJNALGFQLMBOC-IUODEOHRSA-N 383.493 0.043 0 1 GCAF biogenic COc1cccc(-c2cn3c(=O)c4ncn([C@H]5CO[C@@H](CO)O5)c4nc3[nH]2)c1 101887590 FXHCFHGVCDYNMF-ZIAGYGMSSA-N 383.364 0.912 0 1 GCAF CC(C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(=O)O 59139280 CPFLNRGVTFXXMN-WFASDCNBSA-N 379.413 0.643 0 1 GCAF Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(Cl)cc3)O2)c(=O)[nH]c1=O 95576306 DETDBZAEUKIACA-MJBXVCDLSA-N 394.815 0.969 0 1 GCAF COC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(C)=O)CCN1C(=O)NC1CCCCC1 5398514 QMYIIXVNIUNWEP-IUODEOHRSA-N 382.461 0.239 0 1 GCAF biogenic N=C(N)[C@]1(N)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 29483349 HPTFPXLXBSYPMG-STSJCENXSA-N 384.480 0.590 0 1 GCAF CCS(=O)(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccc(F)cc2)O[C@H]1CO 95676479 UJYSKGJHSGHRSS-JYJNAYRXSA-N 386.445 0.456 0 1 GCAF C/C=C(/C)C(=O)O[C@H]1CCN2CC[C@@H](COC(=O)[C@@]3(O)[C@H](C)OC(=O)[C@@H]3C)[C@H]12 238782635 NRYICLSFNMBTFB-ZWAOPXPFSA-N 395.452 0.814 0 1 GCAF C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)Nc1ccc2c(c1)=NC(=O)N=2 618014626 AIMLWMQBUZVORH-QAGHZCBJSA-N 378.392 0.206 0 1 GCAF CC(C)(C)CC(=O)NC[C@@H]1OC[C@H](N(Cc2cnc[nH]2)Cc2cnc[nH]2)[C@@H]1O 2356402660 MXNBULIPGVBDMX-BQFCYCMXSA-N 390.488 0.816 0 1 GCAF CN(C)c1ccc(N2C(=S)N[C@@H]3[C@H](O)[C@H](O)C[C@@H](C(=O)NC4CC4)[C@@H]32)cc1 2356854614 RQRLAWVQTCHXEK-UHDSXZAQSA-N 390.509 0.205 0 1 GCAF CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2SC1 34239847 YBXXUIKUSFXHSS-CXAGYDPISA-N 390.417 0.910 0 1 GCAF NC(=O)c1nc(-c2n[nH]nc2-c2cccc(C(F)(F)F)c2)n(COCCO)n1 66252391 PJEWEEFFMRBDJF-UHFFFAOYSA-N 397.317 0.814 0 1 GCAF COC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C 95853930 UUDITCQIVHGHRN-LZWOXQAQSA-N 397.476 0.501 0 1 GCAF COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N(C)C)O[C@H](CO)[C@H]1O2 95900679 YUNRHRZDARIPJN-AXJQOJOCSA-N 378.425 0.744 0 1 GCAF CN(C)c1ccc(N2C(=S)N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(=O)NC4CC4)[C@@H]32)cc1 2356854611 RQRLAWVQTCHXEK-BQJWPVKWSA-N 390.509 0.205 0 1 GCAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@]1(C)O[C@H](CO)[C@@H](O)[C@H]1O 13472698 LAUJHHDMVNOAOD-CPJTVBMOSA-N 399.451 0.655 0 1 GCAF O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1cscc1Br 13604666 BKJOSZFLRXVYPW-HBNTYKKESA-N 389.227 0.668 0 1 GCAF COc1ccc(CN2C(=O)c3cccn3[C@]3(CC(=O)NC3=O)C2=O)c(OC)c1 13781466 ZIXFWQDAUXZZQK-IBGZPJMESA-N 383.360 0.430 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(SCc4cccc(F)c4)ncnc32)[C@H](O)[C@@H]1O 40873812 LAOIXCWRAVHELQ-LSCFUAHRSA-N 392.412 0.869 0 1 GCAF O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccccc2)[C@H](CO)O1)NCc1ccncn1 95676105 JMJYAJMXQVZTFW-KURKYZTESA-N 382.420 0.597 0 1 GCAF CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CCOCC2)O1 95885550 LGGFTYBQIURINE-XLAORIBOSA-N 398.500 0.465 0 1 GCAF Cc1nonc1CNc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205037592 QEYGPZQLNLVJCT-WMZJFQQLSA-N 396.371 0.182 0 1 GCAF CO[C@@H](O)[C@]1(O)C[C@]23CC[C@H]4C(C)(C)CCC[C@]4(C)[C@@]2(O)C(=O)[C@H](O)[C@@]1(O)C3 238735908 DLMYKQYCHJGJSP-MBEGOHEVSA-N 398.496 0.495 0 1 GCAF COc1ccc(S(=O)(=O)N[C@H](c2nc3ccnc(N)c3[nH]2)[C@H](C)O)cc1 586939004 ZOKSSOGGZOGKHW-ZANVPECISA-N 377.426 0.949 0 1 GCAF CS(=O)(=O)c1ccc(CN[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](n3ccnc3)[C@H]2O)cc1 2356297471 UXCMPROUCJSLTC-NRKLIOEPSA-N 379.438 0.102 0 1 GCAF O=C(NC[C@@H]1OC[C@H](N(Cc2cnc[nH]2)Cc2cnc[nH]2)[C@H]1O)c1ccccc1 2356340293 LNAADUNQEUGZDT-GBESFXJTSA-N 396.451 0.693 0 1 GCAF CCCCN1C(=O)[C@@H]2C[C@H](O)CN2C2(CN(Cc3cccc(F)c3)C2)C1=O 2356605679 NUUOLKSFVCHVHL-IRXDYDNUSA-N 375.444 0.984 0 1 GCAF O=C(O)CN1C(=O)N/C(=C\c2cccn2-c2ccc(P(=O)(O)O)cc2)C1=O 36380584 VKJPUPMRCWBZLR-JYRVWZFOSA-N 391.276 0.258 0 3 GCAF OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 13649487 DXHLGWYQWDVEAA-SWQDORGXSA-N 397.435 0.927 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(CSc4ccccn4)ncnc32)[C@H](O)[C@@H]1O 29057208 XOOGGAAOGDDIOD-DSPGLSBSSA-N 375.410 0.125 0 1 GCAF C[C@@H](Cc1ccccc1)Nc1ncnc2c1cnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49048090 APMVFVFNZUJVGB-MEMXURKKSA-N 385.424 0.481 0 1 GCAF N=C(N)c1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(C(=O)O)c2)cc1 95565811 RNTUDLFAIAWDMW-UHFFFAOYSA-N 390.421 0.976 0 1 GCAF CN1CC[C@@]23C(=O)C[C@@]4(O)C(=CCOC5=CC(=O)N(c6c(O)cccc62)[C@H]3[C@H]54)C1 2356413962 NDIBCEQFECLLFG-JKLQHZFJSA-N 394.427 0.855 0 1 GCAF CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CCOCC2)O1 95885441 UCOGFCCFBHACTI-LTIDMASMSA-N 384.473 0.027 0 1 GCAF CNC(=O)c1nn(C)cc1NC(=O)c1nc([C@H](C)O)cnc1Nc1cncnc1 169701741 SDPAZDFFFMXEGE-VIFPVBQESA-N 397.399 0.409 0 1 GCAF C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)[C@]23O[C@H]2C[C@](C)(O)[C@]3(O)[C@H]2OC(=O)[C@@H](C)[C@H]12 238732027 NSIQFTFECCWKID-LEDHEPLTSA-N 396.436 0.220 0 1 GCAF Cn1nc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(F)c1O 587156147 WPAYSYFDHWFYDK-UHFFFAOYSA-N 381.389 0.829 0 1 GCAF CC1=C([C@H](C)CO)C[C@]2(O)[C@@]3(C)CC(=O)O[C@H]4[C@@H](C)CC[C@@]3(O)[C@@]4(O)[C@@]12O 2356660943 WEMMFYQBUDJVPE-JASOIUDZSA-N 382.453 0.025 0 1 GCAF O=P(O)(O)C(O)(C[n+]1cccc(-c2ccc(F)cc2)c1)P(=O)(O)O 34641298 WYYOJIJKGLEQPE-UHFFFAOYSA-O 378.209 0.782 0 1 GCAF CC1(C)NS(=O)(=O)Cn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O 36518840 GCUBYHZIHVJKSE-UHFFFAOYSA-N 396.400 0.144 0 1 GCAF O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1cccc(F)c1 95675539 BVKYPNZNGBYIEE-GVDBMIGSSA-N 380.416 0.713 0 1 GCAF CNC[C@@H]1Oc2ccc(NS(C)(=O)=O)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95860904 HMGKWXPABBQPJW-MKBNYLNASA-N 385.486 0.498 0 1 GCAF CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@@](C)(O)C[C@H]2OC(C)=O)OC1=O 137038233 GSADBENAXUTZTK-YQBZJDNVSA-N 396.392 0.631 0 1 GCAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](N)[C@@H](O)[C@H](O)CCO)N1 587749010 ZNNXOBZRUPPDAI-ASMZVTECSA-N 377.254 0.595 0 1 GCAF CO[C@@H]1CCN(c2cccc(N3CCN([C@@H]4CCN(C#N)C4)S3(=O)=O)c2)C1 1857559688 QXLADLAYJQSYHH-QZTJIDSGSA-N 391.497 0.834 0 1 GCAF CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC1=O 2356843162 NCUTXAUIYRLLMG-HRCADAONSA-N 389.452 0.608 0 1 GCAF O=C(NCc1nn[nH]n1)c1ncc2ccc(=O)n(Cc3ccccc3)c2c1O 203412878 WVKJTSVOJHIZMN-UHFFFAOYSA-N 377.364 0.594 0 1 GCAF 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Nc1ncnc2c1nc(C(=O)NCP(=O)(O)O)n2CCc1ccccc1 40943540 IMNZTFPMRBKJHT-UHFFFAOYSA-N 376.313 0.516 0 1 GCAF CNC[C@H]1Oc2c(NS(C)(=O)=O)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95837009 LGRRTQSZVWVNJQ-SLEUVZQESA-N 385.486 0.498 0 1 GCAF C[C@@H]1Cc2cc(Br)c(F)cc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biogenic COc1ccc(OC)c(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c1 34987424 COXUOXWQLWEHRE-VULZFCBJSA-N 396.447 0.759 0 1 GCAF CC(C)NC(=O)NCC[C@H]1CC[C@@H](NC(=O)CCN2CCCCC2)[C@@H](CO)O1 95678426 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Cc1ccc(CN2C(=O)[C@@H]3C[C@H](O)CN3C3(CN(Cc4cccnc4)C3)C2=O)o1 2356294920 SKKOGJMMTVNOOB-WMZOPIPTSA-N 396.447 0.542 0 1 GCAF Cc1cc(O)cc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1Cc1ccc(O)cc1 2356396312 HGAMPZKZWSNZHB-RMMWZPCPSA-N 392.404 0.176 0 1 GCAF COc1cc2c(=O)n(CCc3ccccc3)c(=O)n(CC(N)=O)c2cc1OC 4176533 NSGPFEZAXATFJC-UHFFFAOYSA-N 383.404 0.908 0 1 GCAF O=C(COc1ccc(O)cc1)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12 26147537 DEVBVZQZMYFVRL-BXUZGUMPSA-N 384.797 0.706 0 1 GCAF OC[C@@H]1O[C@H](n2cnc3c(Nc4ccccc4)nc(Cl)nc32)[C@@H](O)[C@@H]1O 27078399 SUFRPGTWZQQKIL-LIBKGXAOSA-N 377.788 0.835 0 1 GCAF COc1cccc(OC)c1OC(=O)[C@@H](CN1CCOCC1)N1CCOCC1 29566940 DKLJTHUYSMCQEW-OAHLLOKOSA-N 380.441 0.642 0 1 GCAF O=C(O)c1cccc(-c2cccc(CO[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2)c1 95564516 XTCKFBTYNZRYEP-KLBVCGFUSA-N 390.388 0.368 0 1 GCAF C[C@@H]1CO[C@@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]36[C@@H](OC(=O)[C@@H]6O)O[C@]4(C(=O)O5)[C@@]12O 169360469 ODJBPMBBULFPKZ-XMZTWNRMSA-N 394.420 0.133 0 1 GCAF N[C@@H]1[C@H](N(CCO)C(=O)/C=C/c2ccco2)C(=O)NC(=O)N1Cc1ccccc1 215379037 HICSAJMYQVYGAK-XDIYQJDNSA-N 398.419 0.519 0 1 GCAF OC[C@H](O)CNC[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O 2356287244 FPWXBMGMPKHOIB-MTNOOBJLSA-N 380.416 0.875 0 1 GCAF CC(C)(C)C(=O)NC[C@@H]1O[C@H](Cc2cc(CN3CCNCC3)on2)CC[C@@H]1O 2356382961 UEHWZGSILXZRNA-SZMVWBNQSA-N 394.516 0.693 0 1 GCAF CC1(C)CN(S(C)(=O)=O)C[C@H]2CN(C(=O)COc3ccccc3)CCN21 2356639994 LABNATMBMBEHHE-OAHLLOKOSA-N 381.498 0.632 0 1 GCAF CN1CCC(N2CC3(CN(C(=O)c4ccccc4)C[C@H]4COCCN43)C2)CC1 2356649031 XILQAKUXIFNOLD-FQEVSTJZSA-N 384.524 0.992 0 1 GCAF NCc1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 2356816146 CYHAGKWATHPICO-HYVNUMGLSA-N 398.467 0.492 0 1 GCAF CC(=O)NC[C@H]1C[C@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)CO1 26827837 ZICFDNXTOYIPCU-ITBWZIIFSA-N 384.454 0.167 0 1 GCAF CCCCNC(=O)NCCNC[C@H](O)COc1ccccc1OCC(=O)NC 27106555 WUEFDLHMWGFVDG-HNNXBMFYSA-N 396.488 0.240 0 1 GCAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H](NC)[C@H](NC)C3)c(F)c21 27563689 WEOFSGMQVYUFLP-CHWSQXEVSA-N 380.395 0.994 0 1 GCAF CC1(C)[C@@H]2C[C@@H]3OC(=O)[C@]45C[C@@H](C[C@H](O)[C@@H]4[C@]34CO[C@@H](O2)[C@@H]14)[C@@](C)(O)C5=O 2356847182 OULZISXDECDWIJ-NWHKQFPQSA-N 378.421 0.407 0 1 GCAF COCc1cn([C@@H]2CO[C@@H]3[C@@H](NC(=O)Nc4cccc(C#N)c4)CO[C@H]32)nn1 25413592 RUHCWEOGOHNWSF-HZMVEIRTSA-N 384.396 0.825 0 1 GCAF biogenic CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1NC(C)=O 27744743 BBDDLPOYPXNOTL-CGTJXYLNSA-N 390.436 0.701 0 1 GCAF COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@@H]2N=C(C(C)=O)[C@H]3[C@@H]4CO[C@@H]1[C@H](O)[C@@]243 95911799 PDQWKABOOJGRIL-YRJJXDHTSA-N 398.415 0.649 0 1 GCAF biogenic,in-vitro N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587224319 YVUYLZCMMUXBNS-PJCOJXEDSA-N 392.372 0.111 0 1 GCAF CC(=O)O[C@H]1C[C@](C)(O)[C@@]2(OC=O)CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2 2356397018 DHSGPJSOXBUHNM-XDKFSHSGSA-N 382.365 0.241 0 1 GCAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3cccc4c3OCO4)[C@H]2SC1 27329410 WNUHCOHODVWULK-XMZIXOGTSA-N 391.405 0.174 0 1 GCAF C[C@H]1N[C@@H](CNC(=O)c2cccc3c2C(=O)c2ccccc2-3)[C@@H](O)[C@@H](O)[C@H]1O 89455857 NQPIYVRYYGVNCF-LUQKMVSQSA-N 382.416 0.071 0 1 GCAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)N(C(C)=O)[C@@H]21 95796841 BVSPCLLKQXCBOR-IQLQGDNHSA-N 385.464 0.918 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cnc3ccccc3c2[nH]1)C(=O)O 587220140 MUPOOFVYTYQRHE-ZYHUDNBSSA-N 385.380 0.415 0 1 GCAF COC1=C(Br)[C@@H](O)[C@@]2(C=C1Br)CC(C(N)=O)=NO2 13450383 KQYZOOUJAWUDAP-PSASIEDQSA-N 382.008 0.893 0 1 GCAF biogenic CC[C@@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)O 15956015 KBBYQRYOSLVUEW-ZMZPIMSZSA-N 390.392 0.904 0 1 GCAF biogenic C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(N(C)C)cc3)CN21 22936924 SWHAHJWSEICHDZ-SXLOBPIMSA-N 397.523 0.313 0 1 GCAF biogenic CCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc(N)c1C(N)=O 38145068 HNFUPQXIBABEIU-UHFFFAOYSA-N 392.437 0.495 0 1 GCAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc4c(c3)OCO4)[C@H]2SC1 40709704 APIJQNGYGVYKQR-BFQNTYOBSA-N 391.405 0.174 0 1 GCAF Cc1ccc(S(N)(=O)=O)cc1[C@]1(C)N[C@@H](C(=O)O)Cc2c1nn(C)c2C 962705853 FTBJUNIBKHDVQK-PBHICJAKSA-N 378.454 0.547 0 1 GCAF COc1ccc(OC)c([C@@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1N 963199694 CSKGQPAFKPVQAM-OAVHHTNSSA-N 397.435 0.856 0 1 GCAF O=C(NCCNC[C@@H](O)COc1cccc2c1OCCO2)c1ccc(O)cc1 29214926 QSXQCVIDNTUQLR-MRXNPFEDSA-N 388.420 0.923 0 1 GCAF Nc1nc(OCc2nccs2)nc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O 72178055 ODYWKMFMZNYCNS-ZRFIDHNTSA-N 382.377 0.033 0 1 GCAF CNC[C@H]1Oc2ccc(NS(C)(=O)=O)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95860274 HMGKWXPABBQPJW-MQIPJXDCSA-N 385.486 0.498 0 1 GCAF CC(=O)OCC1=C2[C@@H](OC(C)=O)C[C@@]3(C)O[C@@]2(C[C@@](C)(O)CCC3=O)OC1=O 15199216 CIQHYIPVUYZISN-NOENWEJRSA-N 396.392 0.714 0 1 GCAF biogenic O=C(O)[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)CCC3CCNCC3)C2)CCC1=O 26401131 YFEFXIJHEGDAHU-JKSUJKDBSA-N 393.484 0.507 0 1 GCAF O=c1[nH]c(=O)n([C@@H]2[C@H](F)[C@H](CO)[C@H]2CO)cc1/C=C/I 28228850 DYXMGIDYALLYFN-UXGMSVEBSA-N 396.156 0.052 0 1 GCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NNCC(F)(F)F)nc23)N1 205037667 ZNDLHTILMVMXDO-BAQGIRSFSA-N 397.321 0.358 0 1 GCAF CN1[C@H]2CCN(CC(C)(C)C)[C@H]2C(=O)NC[C@H]1CCC(=O)N1CC[C@H](O)C1 2356817518 DLZCXTNDNGQLJU-MUQADHOPSA-N 380.533 0.279 0 1 GCAF CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@H]1C(=O)N(CCc1ccccc1)C1CC1 13778777 QNEUCNRFTPZVRD-CGTJXYLNSA-N 387.436 0.419 0 1 GCAF O=C1N[C@H](CC2CCCCC2)C(=O)N2CCN(C(=O)[C@@H]3CSCN3)C[C@@H]12 36365059 MXKDAHIRTFOHRR-ILXRZTDVSA-N 380.514 0.157 0 1 GCAF biogenic O=C(N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO)c1ccncc1 95676278 ZAWCCEHPCRSVNF-SQNIBIBYSA-N 391.468 0.653 0 1 GCAF C[C@H](Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 144459849 OCGZHKPNPRDDFQ-JHTGIODLSA-N 386.412 0.193 0 1 GCAF Nc1nc(O)c2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2n1 587025669 PLHNLMIAQGJBJG-UHFFFAOYSA-N 383.397 1.126 0 1 GCAF CO[C@@H]1[C@@H]2[C@@]3(O)[C@]45O[C@](O)(C[C@@]2(C)[C@@]4(O)CC[C@@H](C)[C@H]5O)[C@]3(C)[C@]1(O)C(C)C 2356599820 NIWSYGGVEJKUFU-GAKOAWONSA-N 398.496 0.159 0 1 GCAF N=C(N)c1ccc(CNC(=O)C[C@H]2OCCN(NCc3ccccc3)C2=O)cc1 13526811 CWIFCDICUDKDPV-GOSISDBHSA-N 395.463 0.909 0 1 GCAF O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1OCCCN1CCN(c2ncccn2)CC1 13671677 YNKFXGPBJSWKHI-WNKDZCFJSA-N 383.452 0.727 0 1 GCAF C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(NCC(N)=O)ncnc32)[C@H](O)[C@@H]1O 13676865 RFBHDZUJGQDFEE-YOSASSMQSA-N 383.408 0.635 0 1 GCAF N=C(N)c1cccc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c1 13730646 YFXIKBAGCWBCKG-UHFFFAOYSA-N 377.422 0.955 0 1 GCAF CO[C@@H]1C[C@H]2C(=O)N3CCN(C(=O)c4ccc(N(C)C)cc4)C[C@H]3C(=O)N2C1 25415078 YKPXBRJQUKKJLG-IKGGRYGDSA-N 386.452 0.035 0 1 GCAF biogenic O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)c3cccc(F)c3)C[C@H]12 25415323 CKYJLVVHQGCJDW-QZTJIDSGSA-N 397.406 0.925 0 1 GCAF biogenic CN1CCN(Cc2cccc(C(=O)OCn3ncc4c(=O)[nH]cnc43)c2)CC1 26572532 MUFJBQZKCKXBSF-UHFFFAOYSA-N 382.424 0.682 0 1 GCAF CC(C)[C@H](CO)Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205031769 HNLWIKHHFDCBNN-QJGQKNTRSA-N 386.416 0.308 0 1 GCAF Cc1nc2nc(O)nc(O)c2cc1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O 587557091 GNPZKVZVRQJOTI-GXTWGEPZSA-N 399.411 0.239 0 1 GCAF C[C@H](O)[C@H](O)[C@@H](O)[C@@]1(CO)N[C@H](C)Cc2ccc(F)c(Br)c21 587826569 DZOUYTCTGSJYHD-NGWAOXGRSA-N 378.238 0.413 0 1 GCAF CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H]3CC=C(C)[C@H]2C3(C)C)[C@@H](OC(C)=O)[C@H](O)[C@H]1O 2356397127 HNOAGZCLPDPBHX-YSDAECDYSA-N 398.452 0.935 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@H](C)C2 6070297 UQYNGSPDPASNLN-BLAIOOKWSA-N 380.437 0.037 0 1 GCAF biogenic,in-vitro Cc1cc2c(c(C)c1CCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)[C@@H](C)C2 14682699 UQYNGSPDPASNLN-MEJCEXPESA-N 380.437 0.037 0 1 GCAF endogenous,in-man N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cc3cccnc3)CS[C@H]12)C1CC1 169347145 FGBCCGVCUSFQDX-PBFPGSCMSA-N 388.449 0.100 0 1 GCAF CC(C)Oc1ccc2nc(C[C@@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c2c1 587221491 QEQGUDHYPNPFHA-DGCLKSJQSA-N 392.412 0.654 0 1 GCAF CCCCNS(=O)(=O)c1ccc2nc(CNCCNCC(=O)O)[nH]c2c1 587229600 ZLAXLBRGGURBDO-UHFFFAOYSA-N 383.474 0.405 0 1 GCAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](O)[C@@H](CO)O[C@@H]2O)N1 587847018 FHIYRMXGBOLHIQ-WMNHBQHLSA-N 376.222 0.778 0 1 GCAF Cc1cc(-c2nn([C@H]3CCCN(C(=O)CN(C)C)C3)c3ncnc(N)c23)nn1C 1857579573 PMTUBYPQTHBSPO-ZDUSSCGKSA-N 397.487 0.843 0 1 GCAF Nc1nc(SCc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1 105034907 HEWUQFYYFBVBKP-QOFRNUMZSA-N 389.437 0.312 0 3 GCAF CCC(CC)CCOc1nc(N)c2ncn([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 49068132 IKTDJUXXBREHIR-SDPXSBNPSA-N 381.433 0.225 0 1 GCAF C[C@H](O)[C@@](C)(O)C(=O)OC[C@H]1CCN2CC[C@@H](OC(=O)c3ccccc3O)[C@H]12 69482424 HQNBAGWQDKKAMY-JGYLLYEHSA-N 393.436 0.687 0 1 GCAF biogenic,in-vitro CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccncc2)O1 95887335 JDHZCDHPHAWVKT-LUKYLMHMSA-N 377.441 0.309 0 1 GCAF O=C(N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO)c1ccccn1 95905575 IMYXICHLXCMOQK-NUJGCVRESA-N 391.468 0.653 0 1 GCAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O 261189048 YKLISMZONDWGDU-ITGZQMDBSA-N 385.424 0.481 0 1 GCAF C[C@H](NC(=O)[C@H](N)CCc1ccc(O)cc1)C(=O)NCc1ccc(C(=N)N)cc1 263620480 GVEMEQSTGJKMAX-SCLBCKFNSA-N 397.479 0.757 0 1 GCAF in-vitro COCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](c1csnn1)N2Cc1ccccc1 618014037 LPHZNZYZWQBOKB-RRFJBIMHSA-N 388.453 0.535 0 1 GCAF CCCCN1C(=O)[C@@H]2C[C@H](O)CN2C2(CN(C3Cc4ccccc4C3)C2)C1=O 2356291116 KTWKSOIYAZBFDQ-OALUTQOASA-N 383.492 0.812 0 1 GCAF COc1cc(C(O)(O)[C@@H](CO)Oc2ccc(C=CCO)cc2OC)ccc1O 2356369955 VXAKPNOOKYUAKD-LJQANCHMSA-N 392.404 0.992 0 1 GCAF CCC(CC)C(=O)NC[C@@H]1O[C@H](CC(=O)NCc2cccnc2)[C@@H](O)[C@@H]1O 2356561111 PVCMHYSRFXZHOL-CYGHRXIMSA-N 379.457 0.130 0 1 GCAF CNc1ncnc2c1c(I)cn2[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O 13809468 BVTCLOVNLPOXMU-JJNLEZRASA-N 390.181 0.717 0 1 GCAF CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3F)O2)c(=O)[nH]c1=O 29400764 LHLGXBIUFYLITD-ZMSDIMECSA-N 391.399 0.245 0 1 GCAF C[C@@]12C[C@H](c3ccoc3)OC(=O)C1=C[C@H](O)[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)[C@H]1O[C@@H]21 145126738 NRFPVHCAFULBFH-JHCBRJMXSA-N 388.372 0.635 0 1 GCAF C=c1[nH]n(C(=O)c2ccccc2O)c(=O)/c1=C/c1cc(OC)c(OC)c(OC)c1 169715655 RQZAYHIDFRGAQA-OQLLNIDSSA-N 396.399 0.835 0 1 GCAF N=C(N)c1ccc(CNC(=O)C[C@H]2OCCN(Nc3cccc(N)c3)C2=O)cc1 13526739 BCCMTJJJFNGTRV-QGZVFWFLSA-N 396.451 0.814 0 1 GCAF COc1cc([C@@H]2OC[C@](O)(C[C@@H]3CC[C@H](O)[C@H](OC)C3)[C@]2(O)CO)ccc1O 33832431 NUMDNVCHZUJORS-UIIBEBRNSA-N 398.452 0.493 0 1 GCAF biogenic O=C1CCCN1CCN1CC=C(c2cnn([C@H]3CCS(=O)(=O)C3)c2)CC1 67541413 WCOJOWJNQZQJPN-KRWDZBQOSA-N 378.498 0.954 0 1 GCAF C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2c(NS(C)(=O)=O)cccc2C1=O 95849802 NGOQGDZIZPAXSN-DVOMOZLQSA-N 399.513 0.840 0 1 GCAF CC1=C([C@@H](C)CO)C[C@@]2(O)[C@@]3(C)CC(=O)O[C@@]4([C@@H](O)[C@@H](C)CC[C@@]34O)[C@@]12O 100778658 WIFHAKQJYHVTQK-QMJBONQYSA-N 382.453 0.025 0 1 GCAF endogenous,in-man NCCCS(=O)(=O)N1CCC(NC(=O)c2ccc3c(c2)CC(=O)N3)CC1 653851546 KTMLCHHLQDOODJ-UHFFFAOYSA-N 380.470 0.054 0 1 GCAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)[C@H](O)C[C@H]1CN4C[C@@H](C)[C@H](C=C[C@@]12O)[C@]43O 2356560167 TVUCVHPTQIJMKS-MWYZWHRCSA-N 387.476 0.824 0 1 GCAF O=C(N[C@@H]1C[C@@H]2C(=O)NC[C@@H](CCC(=O)N3CCCC3)N2C1)c1cccs1 2356873304 ZECQDPGGSPAMTB-RBSFLKMASA-N 390.509 0.822 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(SCc4cccc(F)c4)ncnc32)[C@H](O)[C@@H]1O 49032511 LAOIXCWRAVHELQ-GDLHICMESA-N 392.412 0.869 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)O[C@H]1[C@H]2C[C@@H]3CO[C@@H]1[C@@H]3C2)c1ccccc1 100755909 BTBGNDKVXHABNK-NDCJCOBASA-N 388.420 0.613 0 1 GCAF CCOC(=O)N1CCC(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)CC1 195360639 JRKZFRRAYVKIKE-KFZJALRRSA-N 389.452 0.921 0 1 GCAF C[C@@H]1O[C@H](OC(C)(C)[C@@H]2Cc3cc4ccc(=O)oc4cc3O2)[C@H](O)[C@H](O)[C@H]1O 257437434 HOSJGHRJSDQCPE-TVLQFBETSA-N 392.404 0.719 0 1 GCAF endogenous,in-man CC(C)NC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@H]1O 2356294517 PSGIAMLEVXXCPN-MUGBGTHKSA-N 391.415 0.238 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3Cc4ccccc4C3)[C@@H](O)[C@@H]2O1 2356710320 ZMTTVADOIJTTHN-FSAOVCISSA-N 390.480 0.182 0 1 GCAF CCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1OC(=O)CCC 16955474 FJVLFCNQBYEWRA-CXOGBFNASA-N 383.401 0.139 0 1 GCAF O=c1c(C(F)(F)F)cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1Cc1ccccc1 28770607 PCYOJPBAISUWBY-BFHYXJOUSA-N 386.326 0.718 0 1 GCAF CN1CCN(C)[C@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)C1 38394218 HTUOQGFZWIWCSK-AWEZNQCLSA-N 389.431 0.473 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(Nc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O 49785415 TZNHRMFCCGYSTQ-VSBTWAGUSA-N 377.788 0.835 0 1 GCAF COCC(=O)N[C@H]1C=C[C@H](CC(=O)NCc2ccccc2OC)O[C@H]1CO 95906787 SKKODOPUHLUDOU-VYDXJSESSA-N 378.425 0.149 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(C(=O)O)cc2[nH]1 587223036 VEJCLDOQKSUGDX-WPRPVWTQSA-N 378.341 0.085 0 1 GCAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3cccnc3)[C@@H](O)[C@H]2O1 2356290088 JLLYMIXLEZBFTM-CTTHAOKLSA-N 378.429 0.404 0 1 GCAF CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 2564485 HJSBDZFUVHQYNN-STQMWFEESA-N 379.413 0.567 0 1 GCAF Cc1cc(O)c(CO)c2c1C(=O)Oc1c(CO)c(O)c3c(c1O2)[C@@H](O)OC3=O 13407236 VHKZGPSNCSPDGX-SFHVURJKSA-N 390.300 0.877 0 1 GCAF biogenic Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)cn1 13440746 ANFZKXZLBPCNED-UHFFFAOYSA-N 393.451 0.895 0 1 GCAF O=C1Nc2cccnc2N(C(=O)CN2CCN(CCO)CC2)c2ccccc21 22940158 ZQTDYGUPNWJKJF-UHFFFAOYSA-N 381.436 0.922 0 1 GCAF COc1cc(O)c2c(c1)[C@@H]1O[C@@H]([C@@H](O)C[C@H]1O)[C@H](O)/C=C\C[C@H](C)OC2=O 169336839 GNDKUQOAVULHDO-YKIZIGLYSA-N 380.393 0.819 0 1 GCAF CNC(=O)[C@H]1O[C@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H](O)[C@@H]1O 169729028 AOOYJVBMRQULKJ-VEABSNGSSA-N 396.835 0.199 0 1 GCAF C[C@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2cccnc2)C1=O 1857556351 JKTYEZNCKAYQRE-QGZVFWFLSA-N 388.405 0.379 0 1 GCAF CC(C)(CC(=O)Nc1c[nH]cc(C(=O)O)c1=N)NC(=O)[C@@H]1CCC[C@H](N)C1 1911571457 BYRUXUQKLFUTQU-MNOVXSKESA-N 377.445 0.933 0 1 GCAF CC(C)(C)C(=O)NC[C@@H]1O[C@@H](Cc2cc(CN3CCNCC3)on2)CC[C@@H]1O 2356382959 UEHWZGSILXZRNA-NJAFHUGGSA-N 394.516 0.693 0 1 GCAF CC(C)CN1C(=S)N(Cc2ccc(F)cc2)[C@@H]2[C@H](O)[C@H](O)C[C@@H](C(N)=O)[C@H]21 2356839593 LWBYOPAUICBXBR-OVYGPGRDSA-N 395.500 0.848 0 1 GCAF COC(=O)CCCNC(=O)[C@H]1[C@H](NC(=O)NC(C)C)CCN1C(=O)C=C(C)C 34258140 CAMILJFVGBKPHQ-RHSMWYFYSA-N 396.488 0.699 0 1 GCAF biogenic NS(=O)(=O)OC[C@@H]1C[C@@H](Oc2cc(Cc3ccccc3)ncn2)C[C@@H]1O 114583105 KFKCYVLWIBQJFZ-IMJJTQAJSA-N 379.438 0.806 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cnc3ccccc3c2[nH]1 587218259 FYOLGKLRGXMPOK-JQWIXIFHSA-N 385.380 0.935 0 1 GCAF CNc1nc(I)nc2c1ncn2[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O 653843974 GRBKOVYBWCPXND-KQYNXXCUSA-N 391.169 0.112 0 1 GCAF O=C(N[C@@H]1CCN2C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]2C1)c1ccco1 2356305310 UMWAXZIZSKKAAT-KBMXLJTQSA-N 383.404 0.816 0 1 GCAF NC(=O)[C@H]1CCCN1C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCC(=O)N1 27856213 LGVQPHFNYDQRNG-QLFBSQMISA-N 378.473 0.197 0 1 GCAF COc1ccc(C2(C(=O)O)CCCCC2)cc1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 36242722 JAEZFGMEYUZIIP-TZNCUMHOSA-N 396.436 0.497 0 1 GCAF CCC(CC)Nc1ncnc2c1ncn2[C@H]1O[C@@H](C(=O)N(C)C)[C@@H](O)[C@H]1O 38156475 AZRMTKCPVIAZLZ-ZBYUQBLASA-N 378.433 0.134 0 1 GCAF Cn1c(=O)n(CCOC(=O)CNC(=O)c2ccc(F)cc2)c(=O)c2ccccc21 96934405 ZZTLMZNLLNTFNV-UHFFFAOYSA-N 399.378 0.813 0 1 GCAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cnnc(O)c3[nH]2)[C@@H](C)O)cc1 586934680 HYMFLLKIHGIYFL-PRHODGIISA-N 379.398 0.468 0 1 GCAF CN(C)c1cccc2c(S(=O)(=O)NCCN(CCN)CCN)cccc12 1857587111 VPSGKEWOHGGUMV-UHFFFAOYSA-N 379.530 0.404 0 1 GCAF COc1cc([C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc2c1-c1ccc(O)cc1CC2 2356762474 ZSIKQGKOCFQUQO-VLQCVTHLSA-N 388.416 0.681 0 1 GCAF CC(C)NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1CCOc1ccccc1 199238053 BUOBQKUNQHQFLL-GOSISDBHSA-N 397.497 0.453 0 3 GCAF COC(=O)c1cccc(-c2ccccc2O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1 27551495 YVVHHEQTBUFBSS-KLBVCGFUSA-N 390.388 0.319 0 1 GCAF NCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1I 39098053 JVUOSUIJSCFCAC-UHFFFAOYSA-N 383.211 0.616 0 1 GCAF NCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](c1ccccc1)CN2 82210559 QTSYGUMYRULLMS-HNNXBMFYSA-N 392.419 0.365 0 1 GCAF CCOC(=O)CN1C(=O)CN(S(C)(=O)=O)CC[C@@H](OC)c2ccccc21 299852903 ZCOYNRIPXXSXGG-OAHLLOKOSA-N 384.454 0.936 0 1 GCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)N1 587829017 PTGLJQVMVILWNZ-ZKXNAWPISA-N 378.238 0.627 0 1 GCAF CS(=O)(=O)c1c[nH]c(=NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(=O)[nH]1 1857548405 LKGUUTSCHRBDGL-UHFFFAOYSA-N 398.249 0.703 0 1 GCAF C[C@@H](C(=O)O)N1C(=O)[C@H](NC(=O)Oc2ccc(Cl)cc2)CS1(=O)=O 26189311 VOPPAIAGDKQRIQ-OIBJUYFYSA-N 376.774 0.442 0 1 GCAF CC(C)(CCc1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)C(=O)Nc1ccccc1 71316231 QVQYGHOPKDGDIL-WCXIOVBPSA-N 389.452 0.783 0 1 GCAF 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0.509 0 1 GCAF O=C(O)CSCC(=O)N1CC[C@@H]2NC(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 25416105 LCQAQALEMVMZAC-SMDDNHRTSA-N 381.385 0.669 0 1 GCAF biogenic CS(=O)(=O)N[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2n1cc(COc2ccccc2)nn1 25425024 JTMGAWFDYCHDTP-UGUYLWEFSA-N 380.426 0.114 0 1 GCAF biogenic CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@H](/C=C/C(=O)O)Cc1ccc(O)cc1 29125721 LJPYBDDFMPTZAA-CXGCFGFRSA-N 394.424 0.946 0 1 GCAF CCC(=O)N1[C@H](CN(C)C(=O)CN2CCOCC2)[C@@H](c2ccccc2)[C@@H]1CO 95894958 YJKTZHWVYVUUOR-LVCYWYKZSA-N 389.496 0.543 0 1 GCAF COCc1cn(C[C@@H]2C[C@H](NCc3cn(C)c4ccccc34)[C@H](O)[C@@H]2O)nn1 2356294766 RICBGTYILVSNIO-KGUHOSCRSA-N 385.468 0.816 0 1 GCAF CC(C)[C@H]1C=C[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C=C[C@@H](O)[C@@]2(C)C1 2356375251 WVAZFPRTVUSMPH-FJDKZAFMSA-N 398.496 0.204 0 1 GCAF Oc1cc(O)cc(C=Cc2ccc(O)c(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c2)c1 2356584669 OKLZAYMBKSZPIL-KANFNMMFSA-N 376.361 0.792 0 1 GCAF CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCOCC1)cn2C 5042278 PQQAMFBGFZVMED-UHFFFAOYSA-N 379.438 0.261 0 3 GCAF O=C(NCc1ccccc1Cl)c1csc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1 61926858 NRODISFBMOUHJW-AAVRWANBSA-N 384.841 0.881 0 3 GCAF OC[C@H]1O[C@H](Oc2ccc(/C=C\c3cc(O)cc(O)c3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 15112540 RUOKEYJFAJITAG-OWFAIBTRSA-N 390.388 0.447 0 1 GCAF endogenous,in-man CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H]1C=CC(=O)O1)[C@@H]1Cc2cccc(O)c2C(=O)O1 38558128 MXZNZZJLGOWQFM-OWCBBSPXSA-N 389.404 0.847 0 1 GCAF Cc1cn([C@H]2C[C@H](n3cc(COc4ccccc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O 79846102 TXNZZZXIOYNXID-GVDBMIGSSA-N 399.407 0.537 0 1 GCAF Nc1ncnn2c(-c3ccnc(CCO)c3)cc(C(=O)NC3CCC(N)CC3)c12 169704069 CRBYQGKQHSXMAX-UHFFFAOYSA-N 395.467 0.908 0 1 GCAF CC(=O)OCC(O)(COC(C)=O)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)[C@@H]2[C@H]1O 238740486 LEHCVXSBPMHNNP-GVLSGGHMSA-N 388.457 0.143 0 1 GCAF O=C(NC[C@@H]1OC[C@@H](N(Cc2cnc[nH]2)Cc2cnc[nH]2)[C@@H]1O)c1ccccc1 2356340294 LNAADUNQEUGZDT-QYZOEREBSA-N 396.451 0.693 0 1 GCAF Cc1cc(S(=O)(=O)Nc2nc3n[nH]cc3c(=O)n2N)c(S)cc1Cl 35246304 XXKLHBWKIHKIBK-UHFFFAOYSA-N 386.846 0.885 0 1 GCAF N[C@H]1CCCC[C@@H]1Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205017552 VRVXDUAIFMNCRZ-BSHKOFBUSA-N 397.443 0.561 0 1 GCAF CC(=O)C[C@]1(c2ccncc2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963212448 FAXIWVNKYPSAEH-FTRWYGJKSA-N 379.420 0.785 0 1 GCAF Cc1nccn1[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@@H]1O 2356296971 PDPNMJALEITJQG-ZBRFXRBCSA-N 393.465 0.411 0 1 GCAF CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccccn3)n2)CC1 23360543 VBPKAULCBBOHDH-UHFFFAOYSA-N 378.440 0.910 0 1 GCAF COC(=O)[C@H]1CN(C(=O)C2CCNCC2)CCN1C(=O)c1ccc(OC)cc1 25417514 CXFMVYIQADMXTE-QGZVFWFLSA-N 389.452 0.521 0 1 GCAF biogenic C[C@H](N)C(=O)Nc1cccc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)c1 64490905 DIMWJXUQWLWBOJ-NSHDSACASA-N 399.480 0.513 0 1 GCAF O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc(Cn5cnnn5)nc4)ccc3N12 95582273 WWHZEQYPUKTYLQ-RDJZCZTQSA-N 380.364 0.862 0 1 GCAF CC(C)NC(=O)NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 95798389 QYIDETKDHTZXMS-DJIMGWMZSA-N 399.513 0.971 0 1 GCAF C/C=C(\C(=O)NCC(=O)O)[C@H](NCc1ccc(NC(=O)CN)cc1)C(C)C 96283435 DVHYCJSDRSSPME-BXENKHIRSA-N 376.457 0.845 0 1 GCAF CN1CC[C@H](N(C)c2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)C1 205037499 FNTDXODUUJZZPM-BPLGCGBFSA-N 397.443 0.019 0 1 GCAF COc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1F 587217345 BAEMITIVNZSWPH-IUCAKERBSA-N 382.348 0.535 0 1 GCAF O=C(N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@H](O)[C@H]1O)c1ccc2c(c1)OCO2 2356295690 XBXVIYUQDGSNFC-OSLDLMBLSA-N 386.408 0.425 0 1 GCAF CCN1C[C@@]2(C)[C@H](O)CC[C@]34[C@@H]5C[C@@H]6CC[C@@]5([C@H](C[C@@H]23)[C@@H]14)[C@@H](O)[C@@]6(O)CO 2356493153 KEXOMXFRKYKFSR-ZHTNARFLSA-N 377.525 0.988 0 1 GCAF CN(C(=O)C(N)=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 34820440 FFQXHGFOMWLFGH-UHFFFAOYSA-N 397.366 0.853 0 1 GCAF CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccn2)O1 95885211 GUUCMTFKPISCEI-UOVPBQLFSA-N 391.468 0.747 0 1 GCAF COc1cc(OC)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c1 587220178 MWLUMOMKEDPNHW-VHSXEESVSA-N 394.384 0.404 0 1 GCAF O=C1N[C@H](SCCN2C(=O)c3ccccc3S2(=O)=O)N[C@H]2SCC[C@H]12 618015599 ISOGVNSPWDSTOS-DGFSRKRXSA-N 399.519 0.647 0 1 GCAF COc1ccc(N2C(=S)N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(=O)NC4CC4)[C@H]32)cc1 2356600136 BCYCWYAWWOUUDH-ZVDSWSACSA-N 377.466 0.147 0 1 GCAF Cn1c(=O)n([C@H](Cc2ccccc2)C(=O)NCC(=O)O)c(=O)c2ccccc21 15969549 ZNGQPWORJXNFBO-MRXNPFEDSA-N 381.388 0.685 0 1 GCAF biogenic OC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4CCc5cc(O)ccc54)ncnc32)[C@H](O)[C@@H]1O 36272026 VGUMDIPNXQFLGI-VRQAJEBUSA-N 399.407 0.243 0 1 GCAF C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605847 BEKFJEHPEIOIAV-LDQCGDJMSA-N 376.361 0.186 0 1 GCAF COCC(=O)NC[C@@H]1OC[C@@H](N(Cc2ccncc2)Cc2ccncc2)[C@@H]1O 2356287013 BOQLJRBZUMPWED-HBFSDRIKSA-N 386.452 0.370 0 1 GCAF CC(C)Cc1c(O)n(-c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2c1=O 34090817 TVZJCHOYKQTSSO-UHFFFAOYSA-N 395.419 0.940 0 1 GCAF Nc1nc(N2CCOCC2)cc(N2CCC(c3cc(CC(=O)O)[nH]n3)CC2)n1 67934443 FOZKSGKSPPAVFA-UHFFFAOYSA-N 387.444 0.630 0 1 GCAF O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O)N1CCN(c2ncccn2)CC1 104135151 FRVOSNZECGLZFQ-CWLKWCNXSA-N 395.463 0.713 0 1 GCAF O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 169317663 GHDNAOMLMMZWQC-HHUCQEJWSA-N 397.475 0.908 0 1 GCAF O=C(NCc1nn[nH]n1)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O 203414214 APXAQARKSRHZFU-UHFFFAOYSA-N 377.364 0.594 0 1 GCAF NC(=O)NCCC[C@H](N)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587258808 DKCHLQHOJVJCCX-LBPRGKRZSA-N 396.473 0.032 0 1 GCAF O=C(NC[C@@H]1OC[C@H](N(Cc2cnc[nH]2)Cc2cnc[nH]2)[C@@H]1O)C1CCCC1 2356287234 FNYOHWJQUHMKRM-BZSNNMDCSA-N 388.472 0.570 0 1 GCAF Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@H](NCc3ccncc3)[C@@H]2O)cc1 2356626870 MYAYVOWFHCUNGJ-BZSNNMDCSA-N 377.466 0.586 0 1 GCAF Cn1cccc1C(=O)N1CCN2C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@@H]2C1 2356820054 FHRZWLGIRLORDQ-WBVHZDCISA-N 384.411 0.558 0 1 GCAF CO[C@@H]1C[C@@H]2C(=O)N3CC[C@@H](NC(=O)c4cccc(F)c4)C[C@@H]3C(=O)N2C1 2356866364 WFDDMRAVKMHSDQ-KLHDSHLOSA-N 375.400 0.545 0 1 GCAF COc1ccc(Cn2cc(CN3C[C@H](N4CC=CC4)CS3(=O)=O)nn2)cc1 169304086 URIIUTPUVUVKNB-KRWDZBQOSA-N 389.481 0.721 0 3 GCAF CNC(=S)SCN1C(=O)CC[C@@H](N2C(=O)c3ccccc3C2=O)C1=O 40865501 VBFSOUGMLULIHT-LLVKDONJSA-N 377.447 0.995 0 1 GCAF O=C(N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO)c1ccncc1 95676273 ZAWCCEHPCRSVNF-KURKYZTESA-N 391.468 0.653 0 1 GCAF NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccncc1 113491178 OCNNKDWLSOEVBC-DLBZAZTESA-N 394.431 0.355 0 1 GCAF CNC(=O)c1cccc(-c2ccc(C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1 1772636138 RKQVRIYAHYCSNR-LASHMREHSA-N 387.432 0.098 0 1 GCAF CC1=C([C@H](C)CO)C[C@@]2(O)[C@]1(O)[C@@]1(O)[C@H]3OC(=O)C[C@@]2(C)[C@@]1(O)CC[C@H]3C 2356660944 WEMMFYQBUDJVPE-QXVHKQSMSA-N 382.453 0.025 0 1 GCAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]1(O)CC[C@]1(C)[C@H]2C[C@H]2OC(=O)[C@@]1(O)[C@H]2O 2356673601 QWQDORALTITXKO-OMJXTEEBSA-N 392.404 0.842 0 1 GCAF COc1ccc(CSC[C@@H](NC(=O)CCCN)C(=O)NCC(=O)O)cc1 12502860 OMOPDEZZBQHMGS-CQSZACIVSA-N 383.470 0.353 0 1 GCAF in-vivo CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O 39796503 ZAVCJRJOQKIOJW-KKUMJFAQSA-N 393.440 0.131 0 1 GCAF in-vitro CC1(C)O[C@@H]2[C@H](c3nc(C(N)=O)cs3)O[C@@H](CCP(=O)(O)O)[C@H]2O1 299814699 SOEARYYVKAIDJY-QCLAVDOMSA-N 378.343 0.770 0 1 GCAF COC(=O)c1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2c1 587217092 ACGKNUCOMCXBSG-MWLCHTKSSA-N 392.368 0.174 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cnc3ccccc3c2[nH]1 587218255 FYOLGKLRGXMPOK-CMPLNLGQSA-N 385.380 0.935 0 1 GCAF Cc1cnc(Cl)c2[nH]c(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)nc12 587218672 KGQXCPDCSWNBHD-HTQZYQBOSA-N 383.792 0.224 0 1 GCAF CC[C@@H](C)c1cc(O)cc(O)c1O[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]1O 2356535546 CKKRFEDAIIVHNY-KNHUAHBLSA-N 386.397 0.361 0 1 GCAF NC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 1863779 YJVIZWSOLWXDRJ-UHFFFAOYSA-N 386.480 0.790 0 1 GCAF COCc1cn(CCOC[C@@H](NC(C)=O)C(=O)NCc2ccccc2)nn1 58540990 LKFYHFDEDNXCQA-QGZVFWFLSA-N 375.429 0.262 0 1 GCAF CC1(C)O[C@@H]2[C@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 84587399 AMEJUCGWZIFBAU-ZAZJYDDPSA-N 379.431 0.529 0 1 GCAF C[C@]12C[C@H](c3ccoc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c3ccccc3)[C@@H](O)[C@@H]2O)CC1 2356854190 RMNCKIAHYSSRIB-QFHJOOASSA-N 391.468 0.946 0 1 GCAF O=C(CCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ncccn2)CC1 4790463 PRTDLFVMXDAHBP-UHFFFAOYSA-N 386.437 0.280 0 1 GCAF N=C(N)c1ccc(N2CCC3(CCN(C(=O)COCC(=O)O)CC3)C2=O)cc1 13560384 TWXBFWRQAKTFER-UHFFFAOYSA-N 388.424 0.417 0 1 GCAF Cc1nn(CC(=O)N2CCN(C)CC2)c(=O)c2nn(-c3ccccc3)c(C)c12 20563153 CZFXZUJYOFZMPJ-UHFFFAOYSA-N 380.452 0.973 0 1 GCAF Cc1ccc(-c2cn([C@@H]3C[C@@H](O)[C@H](COP(=O)(O)O)O3)c(=O)[nH]c2=O)cc1 36238109 VXEMJHOYOBDZHI-RDBSUJKOSA-N 398.308 0.270 0 1 GCAF COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N(C)C)O[C@@H](CO)[C@@H]1O2 95900680 YUNRHRZDARIPJN-BDOZRKEQSA-N 378.425 0.744 0 1 GCAF COC[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1 115071980 BLWXPEAUTRMTKD-HNNXBMFYSA-N 384.436 0.753 0 1 GCAF O=C(CN1CCC[C@@H]1C(=O)N1CC[C@@H](F)C1)N1CCN(c2ncccn2)CC1 169697080 ICDKPISETHQQSE-HZPDHXFCSA-N 390.463 0.160 0 1 GCAF N[C@@H](Cc1nc2ccc3ncccc3c2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587217958 DOKHFGOEUOMLNA-GWCFXTLKSA-N 385.380 0.415 0 1 GCAF O=C(C=Cc1cc2occc2cc1O)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@@H]1O 2356733190 DBRHSUROBPSKMR-QUCGAITQSA-N 378.333 0.395 0 1 GCAF C[C@@H]1CC=C[C@]2(O1)O[C@@H]1CC(=O)O[C@@H]1[C@@]1(O)C(=O)c3ccccc3C(=O)[C@]21O 16917397 JKAIEKBRNSNOJC-TWWIUZSQSA-N 386.356 0.303 0 1 GCAF biogenic NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1)C(=O)O 39830778 SWRNSCMUXRLHCR-IKGGRYGDSA-N 390.484 0.164 0 1 GCAF biogenic COc1cc([C@H]2OC[C@](O)(C[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@]2(O)CO)ccc1O 70454312 NUMDNVCHZUJORS-UJUUTXTLSA-N 398.452 0.493 0 1 GCAF biogenic,in-vitro Cc1cc2c(c(C)c1CCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)C(C)(C)C2 85812425 QFXWNTWJLHHEKX-ZQAQGDRJSA-N 394.464 0.427 0 1 GCAF in-man N[C@]1(C(=O)O)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 101230519 GUTDXUSSQDIAEW-NQKWYQNWSA-N 386.448 0.738 0 1 GCAF COC(=O)c1ccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2n1 586934928 AVOZWGMALGPMPO-UHFFFAOYSA-N 389.393 0.175 0 1 GCAF N[C@H]([C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](O)[C@H](O)CCO 587574973 HMSXLIWNNYHYAF-CRONGHJESA-N 375.377 0.154 0 1 GCAF CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCc1cc(=O)c(O)c[nH]1 653840652 AAYWTVBJEHKFHL-YJBOKZPZSA-N 386.452 0.408 0 1 GCAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(NCC2)C(=O)N(CC(N)=O)c2ccccc21 962930125 KJKSBUZIASMRRS-OAQYLSRUSA-N 378.432 0.610 0 1 GCAF CC(C)N[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1nnnc1Oc1ccc(-n2cncn2)cc1 2356805641 ADOYYMJIXUXNNE-VQHPVUNQSA-N 398.427 0.751 0 1 GCAF CN1CC[C@@]23C(=O)C[C@@]4(O)C(=CCO[C@@H]5CC(=O)N(c6c(O)cccc62)[C@@H]3[C@H]54)C1 2356831072 JLYMCLUGRSWMPR-JUTVBYGBSA-N 396.443 0.730 0 1 GCAF COC(=O)CCCn1cc(CN2C[C@H](N3CCCCC3)CS2(=O)=O)nn1 96020783 ZHEJPYZDODTDSU-HNNXBMFYSA-N 385.490 0.231 0 3 GCAF CS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1ccc(NC(=O)c3ccncc3)c(=O)n1C2 25232083 RVWGVNSRKLHWPX-OCCSQVGLSA-N 388.449 0.874 0 1 GCAF biogenic O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O)c1ccc(F)cc1 73310004 OMSRUJNGSRESQJ-HOTGVXAUSA-N 390.367 0.434 0 1 GCAF CC(C)[C@]1(O)[C@H](O)[C@@H]2O[C@@]23[C@@]2(C)CCC4=C(COC4=O)[C@H]2C[C@@H]2O[C@@]23[C@@H]1O 89456059 DYVDZVMUDBCZSA-UBDZGTCHSA-N 378.421 0.058 0 1 GCAF COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N(C)C)O[C@@H](CO)[C@H]1O2 95900677 YUNRHRZDARIPJN-YIYSPXCVSA-N 378.425 0.744 0 1 GCAF COc1nc(N)nc2c1c(-c1cccs1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 103249421 ICUYOZIUYVZDLJ-PMXXHBEXSA-N 378.410 0.362 0 1 GCAF N#Cc1c(N)ncnc1N[C@@H](CO)c1nn2cccc2c(=O)n1-c1ccccc1 205610050 JBHVOCPTEPOSAI-AWEZNQCLSA-N 388.391 0.875 0 1 GCAF CC[C@@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@@H](C)[C@H]1OC(C)=O)[C@@H]23 238763668 XIYZMOFCMDIBKI-RHWJFUIMSA-N 395.452 0.814 0 1 GCAF CCOC(=O)C1[C@H]2CC3(C[C@H]12)c1[nH]cnc1C[C@H]1C(=O)N2CCC[C@H]2C(=O)N13 963213083 GFFSNGRQZKPYDO-AZPAEBHISA-N 384.436 0.582 0 1 GCAF COC[C@@H](C(=O)N1CCN(c2cccc(OC)c2)CC1)N1C(=O)CCC1=O 1772623537 FNFYEVMOKOJQSM-INIZCTEOSA-N 375.425 0.508 0 1 GCAF CC=C(C)C(=O)O[C@@H]1C[C@H](O)[C@]2(C)C[C@@H]3[C@H](C[C@H](C)[C@@H]12)OC(=O)[C@@]3(O)CO 2356610229 GNFIFVXADUGFIS-IQZMOLDWSA-N 382.453 0.946 0 1 GCAF CCOC(=O)[C@@]1(O)C[C@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(OC)c2)[C@H](O)C1 2356686527 JLWVLLPEAMZIAF-ULZXJZRSSA-N 396.392 0.136 0 1 GCAF Nc1nc(N)c2ncn(C[C@@H](CO)C[C@@H](c3ccccc3)P(=O)(O)O)c2n1 1633683 KAQNXSYMGQYOGG-JQWIXIFHSA-N 392.356 0.908 0 1 GCAF O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2 45338965 XGMMKMVJQGMNOA-MTQWCTHYSA-N 396.443 0.859 0 1 GCAF Cc1nc(S(=O)(=O)N2CCN(Cc3cccc(OCCO)c3)CC2)cn1C 95784147 QZFGPCRIXOQUCN-UHFFFAOYSA-N 394.497 0.606 0 1 GCAF O=c1nc(NC2CCC2)[nH]c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nccs1 205766929 NUMJYVAXNJCDKI-DXLKZPDWSA-N 393.469 0.372 0 1 GCAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)c1 586934960 BIRXSGKVIYOMOZ-UHFFFAOYSA-N 383.455 0.892 0 1 GCAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1 586947463 ZNCKFJUKMGWGHV-JTQLQIEISA-N 391.409 0.888 0 1 GCAF CC(=O)c1ccc2nc(C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c2c1 587217604 BSZACWBKCXUTRU-CMPLNLGQSA-N 376.369 0.070 0 1 GCAF Cc1csc(CNC(=O)CC[C@@H]2C(=O)N[C@@H](N3CCOCC3)N[C@@H]2C)n1 618015016 MIHODIPQMRRNKL-IGCXYCKISA-N 381.502 0.188 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NC3CCCCC3)[C@H](O)[C@@H]2O1 2356316759 NHHSPTZBHNNUHT-ONMISFSYSA-N 399.488 0.057 0 1 GCAF COC(=O)[C@]1(O)C2=Nc3c(O)cccc3[C@@]23C[C@H]2C[C@@]4(C(C)=O)ON2[C@H]3C[C@H]41 2356866305 WOKHWNOEFGMQTE-UQZNYYPZSA-N 384.388 0.760 0 1 GCAF C[C@@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(CCN3CCCC3=O)c(=O)n21 82210834 LSNFEAPGQJURGZ-CYBMUJFWSA-N 399.451 0.937 0 1 GCAF O=C(NC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1O)C12CC3[C@@H](CCC[C@H]3C1)C2 101028182 AOMBHLFCWIMSPC-NYFCVPMGSA-N 389.452 0.518 0 1 GCAF CNC(=O)[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H](O)[C@@H]1O 169729027 AOOYJVBMRQULKJ-ZVXAKGHKSA-N 396.835 0.199 0 1 GCAF Cc1cnc(Cl)c2[nH]c([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc12 587218408 IZPNLDGGUHIBHE-YUMQZZPRSA-N 383.792 0.744 0 1 GCAF COCC(=O)N[C@@H]1CCC[C@H](C(=O)N(C)Cc2cccnc2)CC(=O)N(C)C1 2356299147 ZFHXJXJGPFCYST-DLBZAZTESA-N 390.484 0.820 0 1 GCAF CC(=O)[C@H]1C[C@@H]1C1=C(C)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356409408 IBNSTGIITWSRAW-XYVXETGTSA-N 384.469 0.533 0 1 GCAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NC3CCCCC3)[C@@H](O)[C@H]2O1 2356678095 RTJSIICNDLHPBO-DTJSUFBGSA-N 383.489 0.819 0 1 GCAF CCCCN(Cc1ccccc1)S(=O)(=O)c1c(N)n(C)c(=O)n(C)c1=O 4339403 NUJOEROWBYMRPO-UHFFFAOYSA-N 380.470 0.657 0 3 GCAF O=C1Nc2ccccc2-n2nnnc2[C@@H]1N1CCN(C(=O)c2ccco2)CC1 199242209 XRMYMBIIFBRBBK-HNNXBMFYSA-N 379.380 0.707 0 3 GCAF COC(=O)CCC(=O)N[C@H]1c2cccc3cccc(c23)Cn2c(=O)n(C)c(=O)n21 5846868 KSQBEQYLWTZYAJ-GOSISDBHSA-N 396.403 0.480 0 1 GCAF OC[C@@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 36271893 FSKMJUWPFLDDRS-OMZPWVPCSA-N 383.408 0.537 0 1 GCAF O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1cccc(F)c1 95677062 SVHHNONGWSEYCY-ULQDDVLXSA-N 378.400 0.489 0 1 GCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NC[C@H]4CCCOC4)nc23)N1 205034218 SVYBPUHXFTXBQH-YRVKEHPISA-N 398.427 0.717 0 1 GCAF COc1cc(OC)c2[nH]c([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c1 587220179 MWLUMOMKEDPNHW-ZJUUUORDSA-N 394.384 0.404 0 1 GCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](N)[C@@H](O)[C@H](O)CCO)N1 587749011 ZNNXOBZRUPPDAI-GLLUOWGLSA-N 377.254 0.595 0 1 GCAF NC(=O)[C@@H]1CS(=O)(=O)CN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1 1772577564 LAQOLMPWGDLOIU-AWEZNQCLSA-N 379.438 0.430 0 1 GCAF Cc1cc(-c2nn([C@@H]3CCCN(C(=O)CN(C)C)C3)c3ncnc(N)c23)nn1C 1857579572 PMTUBYPQTHBSPO-CYBMUJFWSA-N 397.487 0.843 0 1 GCAF O=S1(=O)C[C@H](N2CC=CC2)CN1Cc1cn(Cc2ccc(F)cc2)nn1 199211878 NRCKGSVLIHFJQJ-QGZVFWFLSA-N 377.445 0.851 0 3 GCAF CC(=O)O[C@H]1C(=O)N2[C@@H](C(=O)OCc3ccccc3)C(C)(C)S(=O)(=O)[C@H]12 26390711 YWVHCFCSWVKCPT-KCQAQPDRSA-N 381.406 0.405 0 1 GCAF O=C(O)Cc1cs/c(=N/C(=O)CS(=O)(=O)c2cccc(Cl)c2)n1O 40934262 CRPBODLTUIQBHS-FYWRMAATSA-N 390.826 0.969 0 1 GCAF O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2 45373695 XGMMKMVJQGMNOA-UAFMIMERSA-N 396.443 0.859 0 1 GCAF C[C@@H]1CNc2c(NCc3ccccc3)c(=O)n(CCN3CCOCC3)c(=O)n21 82210920 LIYQLXZWHCXJRF-OAHLLOKOSA-N 385.468 0.941 0 1 GCAF Cc1ccccc1C(=O)NCC(=O)OCCn1c(=O)c2ccccc2n(C)c1=O 96934407 WMQUISBKVHJXSZ-UHFFFAOYSA-N 395.415 0.982 0 1 GCAF Cc1ccccc1S(=O)(=O)NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 299839149 RUIXHHNQGLOXQR-UHFFFAOYSA-N 397.478 0.873 0 1 GCAF C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587833884 PTGLJQVMVILWNZ-DYADMRRISA-N 378.238 0.627 0 1 GCAF CC(=O)[C@@]1(O)CC[C@]2(O)[C@]3(O)CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356446491 KRJHGNYSGWSYLV-XNJIIKEASA-N 382.497 0.911 0 1 GCAF O=C(O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)C(c1ccccc1)c1ccccc1 2356573512 QCADQIHNSJRKAF-GFAJBQDWSA-N 388.372 0.254 0 1 GCAF CC(C)N[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2n1nnnc1Oc1ccc(-n2cncn2)cc1 2356805639 ADOYYMJIXUXNNE-QZWWFDLISA-N 398.427 0.751 0 1 GCAF Cc1ccc(C(=O)NCC(=O)OCCn2c(=O)c3ccccc3n(C)c2=O)cc1 96934410 OARFXTAPBFCISR-UHFFFAOYSA-N 395.415 0.982 0 1 GCAF C/C=C1\C[C@@H](C)[C@](O)(COC(C)=O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 103287936 KLRFTGKPNAYUMI-QTMWKHJZSA-N 393.436 0.736 0 1 GCAF CC(C)[C@@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)C[C@H](O)C4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O 103587032 PUJWFVBVNFXCHZ-KSJRIRIPSA-N 376.405 0.074 0 1 GCAF biogenic,in-vitro C[C@]1(O)C[C@H](O)[C@@]23CO[C@]2(CO)CCC[C@]3(O)[C@@]12C[C@@H](c1ccoc1)OC2=O 238768332 DIYLGALOQKQTEP-LOPPPWBASA-N 394.420 0.432 0 1 GCAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@]2(O)C=C[C@](C)(O)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@H]12 2356462388 PNXYHQNGWRDOHT-KGEDESCYSA-N 380.437 0.865 0 1 GCAF Cn1nc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc2c1=O 2636375 IHNNLYZQKPFKAD-UHFFFAOYSA-N 380.360 0.828 0 3 GCAF COC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C 95660985 UUDITCQIVHGHRN-SQWLQELKSA-N 397.476 0.501 0 3 GCAF O=C(CO)NC[C@H]1CN(c2ccc(C3CCS(=O)CC3)c(F)c2)C(=O)O1 6525214 CYFGOMYKXUDQRR-FDNWOYBOSA-N 384.429 0.886 0 1 GCAF CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)OCCO 29476511 YDNBZHBVMKLIKT-IJEWVQPXSA-N 378.450 0.312 0 1 GCAF Cc1nn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2c1N=NN(Cc1ccccc1)[C@H]2O 49019350 GARMTAXCAGSZAE-IDAWXYBZSA-N 375.385 0.308 0 1 GCAF CC(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1 95603815 QXVXPTFCJRZTCI-IYWMVGAKSA-N 386.533 0.487 0 1 GCAF CN(C)CCCNC(=O)C[C@H]1CC[C@H](NC(=O)c2ccccc2F)[C@H](CO)O1 95676016 RNBICINZPSPKFD-JLSDUUJJSA-N 395.475 0.922 0 1 GCAF Cc1ccccc1S(=O)(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 95886566 FYAAWLKBSBUMEX-QXSJWSMHSA-N 399.465 0.768 0 1 GCAF CC1(C)C[C@H](NC(=O)n2cnc(N)n2)C[C@@](C)(CNC(=O)n2cnc(N)n2)C1 1772576793 SORIZVXCLLQLBR-MGPLVRAMSA-N 390.452 0.435 0 1 GCAF O=C1[C@H]2C[C@@H](O)CN2C2(CN(C3CCCCC3)C2)C(=O)N1Cc1cccnc1 2356537289 NOAIFYFKZJWEOH-QZTJIDSGSA-N 384.480 0.773 0 1 GCAF CC(=O)O[C@H]1CC[C@@](C)(O)[C@]23OC(C)(C)[C@H]([C@@H]2O)[C@@H](OC(C)=O)[C@@H](O)[C@@]13C 2356567120 HTKODPPFQUGBMU-HDGZEEGUSA-N 386.441 0.300 0 1 GCAF CC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@@H](C)[C@H](CN(C)S(C)(=O)=O)O2 95661103 UOTFDYJDGWOOQR-PXAZEXFGSA-N 397.497 0.934 0 1 GCAF CCN1C[C@H]2[C@@H](O)C[C@@H](OC)[C@]34[C@H]2C[C@H]([C@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@@H]2O 255284073 YEOLFWLRGOEFNZ-ZWZKQCKGSA-N 393.524 0.485 0 1 GCAF CC(C)C[C@H](C(=O)N[C@@H](C(=O)O)[C@H](C)O)n1c(O)nc2ccccc2c1=O 504303545 ZXBWYXAJSHQNLM-ZLKJLUDKSA-N 377.397 0.640 0 1 GCAF biogenic Cn1cc([C@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(=O)n(C)c1=O 962702486 AAWBEBFUJCOOLF-CXAGYDPISA-N 381.354 0.993 0 1 GCAF Cc1nccn1[C@@H]1[C@H]2OC[C@@H](O2)[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O 2356296969 PDPNMJALEITJQG-ICUGJSFKSA-N 393.465 0.411 0 1 GCAF CC(=O)N1CCN(C(=O)Nc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCNC1=O 2356872591 ZAGVBDWPBMIXTR-CVEARBPZSA-N 387.440 0.146 0 1 GCAF Nc1nc2ncc(CNc3ccc(C(=O)OP(=O)(O)O)cc3)nc2c(=O)[nH]1 12503950 DNKVHXNVVYQUDC-UHFFFAOYSA-N 392.268 0.157 0 1 GCAF in-vivo O=P(O)(O)C(O)(C[n+]1cccc(-c2ccc(O)cc2)c1)P(=O)(O)O 13643028 PWBHTBGQHDGPDL-UHFFFAOYSA-O 376.218 0.348 0 1 GCAF CCCS(=O)(=O)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)NC3CCCCC3)CO[C@H]21 25213293 VMASFSZICBLZND-CBBWQLFWSA-N 376.475 0.910 0 1 GCAF biogenic Nc1nc(NCC[C@H]2C=CCCC2)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 27424849 UECDEODSHCIWLV-UTJDUQROSA-N 390.444 0.178 0 1 GCAF O=c1[nH]c(=O)n([C@@H]2C[C@H](CO)[C@H]2CO)cc1/C=C/I 29481609 HWPXJXBVZHCSHZ-YLTSPFDWSA-N 378.166 0.104 0 1 GCAF O=C(Cc1nc(N2CCO[C@H](CO)C2)cc(=O)[nH]1)N1CCc2c(F)cccc21 147081883 CPAKOWWGPKUEFW-LBPRGKRZSA-N 388.399 0.238 0 1 GCAF CN(C(=O)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 198017284 MZJJLDAJLAPFKB-SZTZYQKNSA-N 395.437 0.760 0 1 GCAF O=C(OC[C@H]1O[C@H](Oc2ccc(O)cc2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 2356496236 GSOBLLOKFLTRQA-BCDMZGRMSA-N 392.360 0.141 0 1 GCAF CCOC(=O)C(C)=CCC[C@@H](C)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356752445 QMKDCNIWPRUZMS-ITKTYKQMSA-N 376.446 0.119 0 1 GCAF CN1C[C@H](O)C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C 14979208 OAMCENINXMAPLY-OLZOCXBDSA-N 376.388 0.293 0 1 GCAF O=C(Cn1ncn2cccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20467156 WRQUNMFVDLCLKU-UHFFFAOYSA-N 395.419 0.569 0 1 GCAF CC(C)(C)c1ocnc1/C=c1\[nH]c(=O)/c(=C/c2cccc([N+](=O)[O-])c2)[nH]c1=O 34986976 WKUVGRWZWFRPEZ-SFGFDRCGSA-N 382.376 0.915 0 1 GCAF CC(C)[C@@]1(O)CC(=O)[C@@]2(C)C[C@@]3(O)O[C@]4(C(=O)[C@@]13C)[C@@H](O)[C@@H](C)CC[C@@]24O 100781277 IJPNDQQOKFKBRG-OXACRHFUSA-N 382.453 0.311 0 1 GCAF endogenous,in-man CCN(CC)C(=O)c1ccc2c(c1)=C(NNc1ccccc1C(=O)O)C(=O)N=2 200773675 ZOVFPTCNSMGFCZ-UHFFFAOYSA-N 380.404 0.752 0 1 GCAF COC(=O)c1cccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 587221885 QZFDMOUKGJZERO-MWLCHTKSSA-N 392.368 0.174 0 1 GCAF C[C@H]1C[C@@H](C)C(=O)[C@H]2C[C@H]3[C@H](O)[C@]4(C)O[C@]25C(=C1O)C(=O)O[C@]35C[C@@H]4CO 2356334845 OEVGTEZGSWWQLP-ZJABTXMISA-N 378.421 0.876 0 1 GCAF COCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(N3CCNCC3)nc21 4238430 ILBSGDVIGSJDGI-UHFFFAOYSA-N 396.451 0.918 0 1 GCAF CCO[C@@H]1O[C@H](COC(=O)C(C)(C)C)[C@@H](O)C[C@@H]1n1cc(C)c(=O)[nH]c1=O 31899981 HDGZTAFELKEMDZ-RMRHIDDWSA-N 384.429 0.488 0 1 GCAF C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587829016 PTGLJQVMVILWNZ-YBODPPEJSA-N 378.238 0.627 0 1 GCAF Cc1nc2c(o1)-c1c(O)cc(C)c3c1=C(C2=O)C(=O)[C@@]1(O)C=3O[C@@H](C)C1(C)C 2356717959 HYEFHQJWCGRMCN-HXNGOWOSSA-N 381.384 0.878 0 1 GCAF CCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2OC[C@H](C(=O)O)CO[C@@H]12 2356867611 WTWRXXXNMXJOQP-UZVOYOTISA-N 376.402 0.063 0 1 GCAF COc1ccc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3NC(C)=O)ccc2c1 40690585 GFSIFEXCCUQDFW-JKEDJMADSA-N 377.393 0.171 0 1 GCAF Cc1ccccc1Cn1c(=O)n(-c2ccccc2)c(=O)n([C@@H](C)C(N)=O)c1=O 64726137 OKELBCGAZHGPHX-AWEZNQCLSA-N 380.404 0.564 0 1 GCAF CN(C)CCCNC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 95881462 FYGCWFQCJMSVAD-SMMRIJLZSA-N 388.512 0.290 0 1 GCAF CN(C(=O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCS(=O)(=O)CC1 198017297 FYZZEFGWCGMMPU-QPJJXVBHSA-N 395.437 0.760 0 1 GCAF O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 261101055 GHDNAOMLMMZWQC-FLFBIERCSA-N 397.475 0.908 0 1 GCAF O=C(O)[C@@H](O)[C@H](O)c1nc2c(Br)cnc(Br)c2[nH]1 586894037 XSODGHYEYWIVJC-WDSKDSINSA-N 380.980 0.962 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(Cl)c(F)cc2[nH]1)C(=O)O 587220017 MGZZLTZYBUBYAE-BDAKNGLRSA-N 386.767 0.659 0 1 GCAF CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1nnnc1Sc1ncccn1 2356320250 PSBVYGXVVYMRON-CHWFTXMASA-N 379.402 0.068 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)[C@H](C)C2 2356512071 UQYNGSPDPASNLN-IIMRROGJSA-N 380.437 0.037 0 1 GCAF Cc1ncc(COP(=O)(O)O)c(CNC[C@@H](C)OP(=O)(O)O)c1O 12503605 JMZWWHLIKAYMPJ-SSDOTTSWSA-N 386.234 0.292 0 1 GCAF in-vivo CO[P@]1(=O)OC[C@H]2O[C@@H](n3cc(Br)c(=O)[nH]c3=O)C[C@@H]2O1 28246935 SIFAVWDRJZCICO-KDXKXDGGSA-N 383.091 0.757 0 1 GCAF CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCc2ccccc2C1 64235792 LAADEPLURXEMDZ-USJZOSNVSA-N 388.512 0.653 0 1 GCAF COc1ccc(CNC(=O)C[C@H]2C=C[C@@H](NC(=O)CN(C)C)[C@@H](CO)O2)cc1 95907058 VWYZNXAXUASMBN-KZNAEPCWSA-N 391.468 0.064 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(F)c(F)c(F)c2[nH]1)C(=O)O 587221466 QBJQZKHDNOLVTJ-NKWVEPMBSA-N 388.302 0.284 0 1 GCAF C[C@@H]1CC(=O)[C@]2(CO)[C@](O)(CO)CCC[C@]2(O)[C@]12C[C@@H](c1ccoc1)OC2=O 2356391153 RXDUFGKJOZHMHQ-RGNSQZNGSA-N 394.420 0.480 0 1 GCAF O=C(OC[C@H]1O[C@H](Oc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1 2356675053 FTFZXPBVBBJTHV-BCDMZGRMSA-N 392.360 0.141 0 1 GCAF CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@H]3[C@H]2OC[C@H]3NC(=O)C2CC2)cc1 2356820420 FKSBFWXNECBTHC-VQHPVUNQSA-N 384.440 0.640 0 1 GCAF N=C(N)c1ccc(C(=O)N[C@@H](COc2cccc(C(=N)N)c2)CC(=O)O)cc1 13518255 VIWWTRPXELSSKK-CQSZACIVSA-N 383.408 0.907 0 1 GCAF CC(C)NC(=O)N[C@@H]1C[C@@H](C(=O)N(C)CC(N)=O)N(C(=O)CC(C)(C)C)C1 25170463 OZECPTYZANTUFS-OLZOCXBDSA-N 383.493 0.043 0 1 GCAF biogenic CC(C)c1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(F)cc1 95578995 GNAMKLPRAQCNEK-YRHQEJDOSA-N 396.415 0.442 0 1 GCAF CC(=O)N1[C@@H]2c3cccc(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccc(F)cc1 95880146 GUDHGSNJQJUTHK-YAJHFMINSA-N 399.422 0.814 0 1 GCAF COc1ccccc1-c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)N[C@@H]21 95881130 IWNNAGKIJXLTOS-SAKMYQHLSA-N 383.448 0.863 0 1 GCAF Cc1nn(-c2nc(=O)c3cccn3[nH]2)cc1C(=O)N1CCN(C2CCC2)CC1 1857589927 NJHBQBJBDXGABS-UHFFFAOYSA-N 381.440 0.827 0 1 GCAF C[C@H]1CCC[C@H]2C[C@@](O)(CC(=O)O1)[C@H]1C(=O)c3c(O)cc(O)cc3[C@@]2(O)C1=O 2356326065 SULZYUZOGJXPLI-VIVAJGQISA-N 390.388 0.924 0 1 GCAF COc1cccc2cccc(O[C@H]3O[C@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]3O)c12 2356393777 SLEYETWDYDKDJI-XXQMMXQMSA-N 378.377 0.598 0 1 GCAF COCCCNC(=O)c1ccc2sc(C3=C[C@@H](O)[C@@H](O)[C@@H](CO)O3)nc2c1 61907003 WCEQXBRUSIRUKP-XNRPHZJLSA-N 394.449 0.516 0 3 GCAF CC(C)NC(=O)[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1CCc1ccccc1 199236764 PARDLFLCNKZCEI-SFHVURJKSA-N 381.498 0.616 0 3 GCAF O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](CO)O2)cc1-c1ccc(Br)s1 12503925 IGUZFFOBAZCVRK-DKCNOQQISA-N 389.227 0.668 0 1 GCAF CC1(C)S[C@H]2[C@@H](NC(=O)[C@@H](N)c3ccc4c(c3)OCO4)C(=O)N2[C@@H]1C(=O)O 27331635 OJRFCVKRBOKGRG-OHTBPHCPSA-N 393.421 0.047 0 1 GCAF CCC[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CN(C(=O)CCN3CCCCC3)C[C@H]12 28003999 WCULAPXXILFUOW-OAGGEKHMSA-N 385.530 0.908 0 1 GCAF O=C(NCC(F)(F)F)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1 95879073 SBEKOSUKPONTSV-OBCWZRDOSA-N 399.369 0.427 0 1 GCAF COc1ccc(-c2nc(-c3cnccn3)n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)n2)cc1 299814168 MAXJUEAKWIHQBA-BASYENTBSA-N 385.380 0.022 0 1 GCAF N[C@@H](Cc1nc2cnc3ccccc3c2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587223123 VUMMPDXCBLETTB-JQWIXIFHSA-N 385.380 0.415 0 1 GCAF Nc1nc(-c2ccc(OC[C@@H](O)CO)cc2)cn2c(=O)n(-c3ccccc3)nc12 1911579512 JGSJJZGTGOMAIC-HNNXBMFYSA-N 393.403 0.861 0 1 GCAF CCNC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NS(=O)(=O)c1ccc(Cl)cc1 2356866132 VMIJHGBLKHRDRI-AAVRWANBSA-N 390.845 0.899 0 1 GCAF CCc1nn(CC(=O)NCCN2CCN(C)CC2)c(=O)c2cc3occc3n12 20416730 ASQYZYDEMBRRAC-UHFFFAOYSA-N 386.456 0.168 0 3 GCAF CC(=O)OC[C@@H]1O[C@H](n2ccc(=S)[nH]c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 17005653 VOSWRYRYGCAHQU-DEQVHRJGSA-N 386.382 0.230 0 1 GCAF biogenic Nc1nc(NCCC2=CCCCC2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 26575715 SLUGAKUMOFIJEH-GDLHICMESA-N 390.444 0.322 0 1 GCAF CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2ccccn2)CC1 45366970 NXVQZEHIQWRDFL-AWEZNQCLSA-N 392.412 0.346 0 1 GCAF CS[C@]1(CO)C(=O)N2[C@H]3C(=CC=C[C@@H]3OC(C)=O)C[C@@]2(SC)C(=O)N1C 49055447 VXWHYQLJXLMKDT-WRFANHODSA-N 398.506 0.598 0 1 GCAF CN(C)CC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO 95907245 MWWNFIBCXYYYCA-ULQDDVLXSA-N 397.903 0.933 0 1 GCAF CN(C)CC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO 95907497 VCIKDIOFMNBODN-YESZJQIVSA-N 395.887 0.709 0 1 GCAF NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1 210578606 QYUNZLTYDOGJCE-UONOGXRCSA-N 394.443 0.977 0 1 GCAF in-vitro Cc1cc(C)nc(Nc2cc(NC[C@@H](N)CS(C)(=O)=O)cnc2C(N)=O)c1 221749845 LQOICNDBWYGHPJ-GFCCVEGCSA-N 392.485 0.720 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)O[C@@H]1[C@H]2C[C@@H]3CO[C@H]1[C@H]3C2)c1ccccc1 253632404 BTBGNDKVXHABNK-DFIZQSQMSA-N 388.420 0.613 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)O[C@@H]1[C@@H]2C[C@@H]3[C@@H]1OC[C@@H]3C2)c1ccccc1 253632405 BTBGNDKVXHABNK-QDEZYZHWSA-N 388.420 0.613 0 1 GCAF COC(=O)[C@@H](NC(=O)Nc1cc2[nH]nc(OC)c2c(CO)n1)c1ccccn1 1772600645 PGIOAGFEIOETAT-AWEZNQCLSA-N 386.368 0.890 0 1 GCAF O=C(NC[C@]1(O)CO[C@H](Cn2nncc2-c2ccccc2)[C@H]1O)c1ccccc1 1857594552 LCLVCSHUMKKEOC-SBHAEUEKSA-N 394.431 0.866 0 1 GCAF CC(=O)[C@@H]1C[C@@H](O)[C@@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356589364 GLPORXYCNWDFPS-GTMWBJJOSA-N 380.481 0.687 0 1 GCAF COc1cc(C=CC(=O)O[C@H]2[C@@H](O)[C@H](OC(C)=O)[C@@H](C)O[C@H]2O)ccc1O 2356747526 BCCVUXNXLHXLEU-OIKDDEPBSA-N 382.365 0.356 0 1 GCAF CC(C)CN1C(=S)N(Cc2ccc(F)cc2)[C@@H]2[C@H](O)[C@H](O)C[C@@H](C(N)=O)[C@@H]21 2356839594 LWBYOPAUICBXBR-UHDSXZAQSA-N 395.500 0.848 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)[C@@H](C)C2 14682695 UQYNGSPDPASNLN-NSZFLZSYSA-N 380.437 0.037 0 1 GCAF endogenous,in-man CCCCC[C@H](C[C@@H](O)NO)[C@@H](O)N[C@@H](C(C)C)[C@@H](O)N1CCC[C@@H]1CO 27428472 AZKGCXCHQXZSHC-WVXCVLBUSA-N 391.553 0.578 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(NOCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 49032295 QYEIULRVHWFDDY-SCFUHWHPSA-N 387.396 0.024 0 1 GCAF CNC[C@H]1Oc2ccc(NS(C)(=O)=O)cc2CC(=O)N([C@H](C)CO)C[C@@H]1C 95845977 XOTYHNIEAMYTDW-OGHNNQOOSA-N 399.513 0.427 0 1 GCAF CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CN(C(=O)CN)C[C@@H]43)c(F)c2)C(=O)O1 101038958 BJAQDZOPNRQRLI-CTNYNGJSSA-N 390.415 0.418 0 1 GCAF CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@@H]2COc1nc(N)nc2nc[nH]c12 201303611 JYCGZVPVCFOJMF-LTGYMRNTSA-N 393.400 0.710 0 1 GCAF Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nncc(=O)n3N)cc2)n1 1658565 JKMPHQOEQZIUEO-UHFFFAOYSA-N 388.413 0.303 0 1 GCAF NCCCNCCCCNCCCN(O)CCCNC(=O)c1ccc(O)cc1 14443708 NAYJAZASLDIWIH-UHFFFAOYSA-N 395.548 0.902 0 1 GCAF biogenic NC(=O)CO[C@@H]1CO[C@@H]2[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)CO[C@@H]12 25217131 SBNICJFKKXUXRA-IDCNUPLLSA-N 392.433 0.155 0 1 GCAF biogenic CN(C)c1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](OCC(N)=O)CO[C@H]43)n2)cc1 25430865 PMMGOWGYBXVXIP-KCITZHQASA-N 399.451 0.658 0 1 GCAF biogenic Cc1cc2c(c(C)c1CCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)[C@H](C)C2 85812181 UQYNGSPDPASNLN-WEFWNELXSA-N 380.437 0.037 0 1 GCAF in-man O=C(NC1CCCCC1)N[C@@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO 95907807 WOVGJBDURFNDFR-BRWVUGGUSA-N 383.489 0.776 0 1 GCAF CC[C@@H](C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12 196536459 CJYGEJQKEOQHSM-CZZDMBDWSA-N 399.484 0.385 0 1 GCAF COC(=O)Cc1ccc(N2CC[C@@H]3[C@H]2[C@@H]2C(=O)C[C@H]3[C@@]3(O)CC(=O)O[C@@H]23)cc1 238775235 IYURTELCXHYLTK-TWGJCYIBSA-N 385.416 0.862 0 1 GCAF Cc1ccc2c(ccc3nc(C[C@@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c32)n1 587217893 DDKSTYDBFJPBIZ-BXUZGUMPSA-N 399.407 0.724 0 1 GCAF Cc1ccc(S(=O)(=O)N2C[C@@H]3OCC(=O)N(Cc4nccn4C)[C@H]3C2)cc1 2356286164 WTAXCCXKIASBRH-HOTGVXAUSA-N 390.465 0.529 0 1 GCAF 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0.103 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(NCc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O 49021852 AVHZIEZVLFUQFK-GDLHICMESA-N 391.815 0.703 0 1 GCAF Cc1cn([C@H]2C[C@H](n3cc(Cc4ccccc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O 49067297 YSZNONLNIIELSQ-GVDBMIGSSA-N 383.408 0.548 0 1 GCAF O=C(Cc1ccncc1)NCC[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1 95677794 CZXCLXHYAUMTPI-KURKYZTESA-N 375.469 0.955 0 1 GCAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(N)ncnc3[nH]2)[C@@H](C)O)cc1 586934251 DNOSGCWYGSPPPI-LDYMZIIASA-N 378.414 0.344 0 1 GCAF COCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](c1csnn1)N2Cc1ccccc1 618014038 LPHZNZYZWQBOKB-SOUVJXGZSA-N 388.453 0.535 0 1 GCAF Cn1nc(C(F)F)c([C@@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1O 963218394 RXOGTMCDDNSFBS-MWODSPESSA-N 392.366 0.634 0 1 GCAF CC[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCNC1 1772573447 KDWJAPQYWQLZLJ-FQEVSTJZSA-N 396.499 0.857 0 1 GCAF CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC1=O 2356843163 NCUTXAUIYRLLMG-JYJNAYRXSA-N 389.452 0.608 0 1 GCAF C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCN(CCN)CCO 82082981 BWCDLNKVVDHNBW-LBPRGKRZSA-N 396.469 0.318 0 1 GCAF COc1ccc(CNC(=O)C[C@@H]2CC[C@H](NC(=O)CN(C)C)[C@H](CO)O2)cc1 95676075 AFXALTHXBUYGQN-BZSNNMDCSA-N 393.484 0.288 0 1 GCAF CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CCOCC2)O1 95885439 UCOGFCCFBHACTI-LUKYLMHMSA-N 384.473 0.027 0 1 GCAF CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)NCc2ccc(C)cc2)[C@@H]3C1=O 169293820 SANJSHQAZAMVGY-NWUWZPLHSA-N 384.432 0.956 0 1 GCAF CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H]([C@@H](O)[C@@H]32)[C@@H]14)[C@H]5[C@@H]6O 255243973 NETPSJUPEOQHLK-MPRBDGFQSA-N 393.524 0.221 0 1 GCAF CSc1ccc2nc(C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2c1 587226513 UBUXMXOFQDAVOC-ONGXEEELSA-N 380.426 0.589 0 1 GCAF CCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](c1cnn(-c3ccccc3)n1)N2CCOC 618014204 OFZIOMHUHNGJEZ-GVDBMIGSSA-N 399.455 0.474 0 1 GCAF C[C@H]1C[C@](C)(O)C(=O)C[C@@H]2C(=C1O)C(=O)O[C@]13C[C@H](C)[C@](C)(OC1=O)[C@@H](O)[C@H]23 1857646736 FAFGDIIANZCFAM-VZGWUMLJSA-N 394.420 0.793 0 1 GCAF Cc1ccc(CN2C(=O)[C@@H]3C[C@H](O)CN3C3(CN(C4CCOCC4)C3)C2=O)o1 2356343033 KOTCHSCFXFNFHP-RDJZCZTQSA-N 389.452 0.125 0 1 GCAF CC1(C)[C@@H]2[C@@H]3OC[C@@]24[C@H](C[C@H]1O3)OC(=O)[C@@]12C[C@@H](C[C@H](O)[C@@H]14)[C@](C)(O)[C@H]2O 2356398754 BGFHWYWPPMAGAE-WXJJKMRESA-N 380.437 0.198 0 1 GCAF O=C(O)CNc1cccc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)c1 36380848 XVXUQTHHCIRKBK-UHFFFAOYSA-N 386.437 0.724 0 1 GCAF N#Cc1cccc(-c2c(N[C@@H]3CCCNC3)[nH]c(N3CCOCC3)nc2=O)n1 221553467 KSTLRVAXSVRWHT-CQSZACIVSA-N 381.440 0.704 0 1 GCAF Cc1c(O)ccc2c1[C@]1(CNS(=O)(=O)c3ccsc31)N[C@H](C(=O)O)C2 963492931 UGYXURLMWXDIGJ-QFYYESIMSA-N 380.447 0.897 0 1 GCAF Cn1cc2c(nc(=NCCOCCOCCN)n3nc(-c4ccco4)nc23)[nH]1 1857568770 ZSCDORBTJHPIID-UHFFFAOYSA-N 386.416 0.097 0 1 GCAF CC(C)NC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O 2356294512 PSGIAMLEVXXCPN-AMVBZWJASA-N 391.415 0.238 0 1 GCAF CC=C(C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)([C@H](C)O)C(C)(C)O)[C@@H]12 2356544881 HRSGCYGUWHGOPY-NCLAMWEWSA-N 397.468 0.305 0 1 GCAF CC(=O)N1CCC(N[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](n3cnc4ccccc43)[C@@H]2O)CC1 2356636203 ZHRWLRNUANBIDI-OBKDMQGPSA-N 386.452 0.663 0 1 GCAF C[C@H](C[C@H](O)CCCC[C@H](O)CC(=O)O)O[C@@H]1OC(C)(C)[C@@H](O)C[C@@H]1O 2356832287 JUMHDYYUBXYUMT-AGCIWZEPSA-N 378.462 0.785 0 1 GCAF Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)O1 13523987 QYFSANXOEHYVFG-NKWVEPMBSA-N 395.205 0.312 0 1 GCAF in-vitro CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc4c(c3)OCO4)C(=O)N2[C@H]1C(=O)O 40488925 OJRFCVKRBOKGRG-MCYUEQNJSA-N 393.421 0.047 0 1 GCAF O=C(C[C@H]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCc1ccncn1 95794203 YOCRZHXVPNTEOH-BRWVUGGUSA-N 385.424 0.216 0 1 GCAF O=C(C[C@@H]1CC[C@@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCc1ccncn1 95907397 MFWHVJQQCSLWHQ-BBWFWOEESA-N 385.424 0.216 0 1 GCAF COCc1cn(C[C@@H]2C[C@H](NCc3cccc4c3OCO4)[C@@H](O)[C@@H]2O)nn1 2356294541 PVWLPWQJQFGQHE-GUDXXQAFSA-N 376.413 0.053 0 1 GCAF CN1CCN(C(=O)[C@H]2CCC[C@H](NCc3cccnc3)CN(C)C(=O)C2)CC1 2356332415 DAKZMEFSXPOYNX-OALUTQOASA-N 387.528 0.962 0 1 GCAF CC(=O)Nc1ccn([C@@H]2CS[C@@H](COC(=O)P(=O)(O)O)O2)c(=O)n1 26292271 HSUPUTCTFNFQQU-IUCAKERBSA-N 379.287 0.104 0 1 GCAF C[C@@H]1O[C@H](OC(C)(C)[C@@H]2Cc3cc4ccc(=O)oc4cc3O2)[C@H](O)[C@@H](O)[C@@H]1O 257437433 HOSJGHRJSDQCPE-IBVIDZBJSA-N 392.404 0.719 0 1 GCAF endogenous,in-man CS(=O)(=O)/C=C\c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 586928134 XRBWTWLAEUWMFF-WCIBSUBMSA-N 378.454 0.328 0 1 GCAF O=C(O)[C@H]1[C@H](c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)[C@H]1C(=O)O 587971249 XHJDCJIHSACEPH-XYYAHUGASA-N 395.393 0.083 0 1 GCAF CN1CCN(C[C@@H]2CN3CC[C@H]2C[C@H]3CNS(=O)(=O)c2cccs2)CC1 2356329858 AKMMTBTUVVSESP-BBWFWOEESA-N 398.598 0.984 0 1 GCAF NC(=O)C1CCN(C(=O)CCCn2c(=O)[nH]c3cc(Cl)ccc3c2=O)CC1 4019788 WOKDMKUKRKURIZ-UHFFFAOYSA-N 392.843 0.847 0 1 GCAF OC[C@H]1O[C@H](Oc2ccc(-n3ccc4ccccc43)cc2F)[C@@H](O)[C@@H](O)[C@@H]1O 84668532 WHJGBKFQVQSSIE-SLHNCBLASA-N 389.379 0.948 0 1 GCAF C[C@H]1CN(C(=O)c2cnccn2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 96921535 JEICIUQZOHOSQV-LBPRGKRZSA-N 386.437 0.888 0 1 GCAF O=S(=O)(NCc1nc2c(O)nc(S)nc2[nH]1)c1ccc2c(c1)OCCO2 586941784 OFQPQAPMCXUNFK-UHFFFAOYSA-N 395.422 0.597 0 1 GCAF O=C(O)CNS(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587563701 VUJHPFSOFMSFCU-UHFFFAOYSA-N 376.350 0.466 0 1 GCAF CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]2CCCN2C1=O 2356606225 HUTLMPQIWUKPAS-GVRJEKJASA-N 394.516 0.558 0 1 GCAF O=C(O)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCC2CCNCC2)C1 26400074 STDOMSNWECYYRP-CQSZACIVSA-N 375.491 0.009 0 1 GCAF NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccco3)n2)C1 82141985 NOOIBAUMFNQRIB-ZDUSSCGKSA-N 385.424 0.911 0 1 GCAF CC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@H](C)[C@@H](CN(C)S(C)(=O)=O)O2 95660959 UOTFDYJDGWOOQR-YVEFUNNKSA-N 397.497 0.934 0 1 GCAF O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1 95677789 CZXCLXHYAUMTPI-BZSNNMDCSA-N 375.469 0.955 0 1 GCAF O=C1C(=O)N(Cc2cccc(CO)c2)[C@H]2CNC[C@@H]2N1Cc1cccc(CO)c1 98209227 BNGHHYKOKSEZPO-PMACEKPBSA-N 395.459 0.383 0 1 GCAF in-vitro Cn1cc(-c2cc(S(N)(=O)=O)cnc2O[C@H]2CCOC2)c2cc[nH]c2c1=O 146767258 NFHNPMIGVNUEGG-JTQLQIEISA-N 390.421 0.744 0 1 GCAF O=Cc1c(O)ccc2nc(N3CC[C@@H](NC(=O)CN4CCOCC4)C3)ccc12 221064010 DGBJROJOPHSKNU-CQSZACIVSA-N 384.436 0.780 0 1 GCAF COc1cc(O)c2c(c1C/C=C(/C)CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)COC2=O 238747348 CNPFAHSTHWYNNB-HFXIEXFRSA-N 396.392 0.016 0 1 GCAF O=C(O)CCC(=O)Nc1cc2cc(O)c(=O)cc-2n2c1NCC[C@H]2C(=O)O 584905657 IRPUQESHEYKXHL-JTQLQIEISA-N 375.337 0.903 0 1 GCAF in-vitro CO[C@@H]1[C@H](O)C[C@@]23CC(=O)N(C)[C@@]24C[C@@H](O[C@@]14OC)c1cc2c(cc13)OCO2 2356340463 PNGVVIBGSJGXTG-JKGCQIBESA-N 389.404 0.851 0 1 GCAF O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1-c1ccc(Br)s1 599987 IGUZFFOBAZCVRK-FYBVGQRMSA-N 389.227 0.668 0 1 GCAF Cc1ccc(S(=O)(=O)NC(=O)N[C@@H](CCCCNC(=N)N)C(=O)O)cc1 1655049 JRDPWGBJEXONCV-LBPRGKRZSA-N 385.446 0.089 0 1 GCAF CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H](CO)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 13138478 RHHNTCYTVQANIZ-NTZUZEMLSA-N 395.408 0.289 0 1 GCAF CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H](C)[C@@H](NC(C)=O)[C@@H]1OC(C)=O 14965672 PMFBAYZWSDMPQZ-CLFIOZCUSA-N 378.425 0.889 0 1 GCAF biogenic O=C1N[C@H](CC2CCCCC2)C(=O)N2CCN(C(=O)N3CCOCC3)C[C@H]12 25412125 LQNHOBCBTRBBOW-HZPDHXFCSA-N 378.473 0.420 0 1 GCAF biogenic O=C(NCCS(=O)(=O)O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1 26467474 LFYLTYVDSAKZFS-CQSZACIVSA-N 375.491 0.009 0 1 GCAF NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc3[nH]cnc23)cc1 53313839 CMWKVPYIDPPPIC-UHFFFAOYSA-N 375.414 0.581 0 1 GCAF O=C1CN(C(=O)c2cc(Cc3nnc(O)c4c3NCCC4)ccc2F)CCN1 84687546 GLEKMQVQUBOMFS-UHFFFAOYSA-N 385.399 0.842 0 1 GCAF Nc1nc2nc(C(=O)NCCNC(=S)Nc3ccccc3)cnc2c(=O)[nH]1 103235496 UUWAPATXKONSKU-UHFFFAOYSA-N 384.425 0.012 0 1 GCAF CCOC(=O)c1nnn(-c2cc(OC)ccc2OC)c1[C@H](O)[C@@H](O)[C@H](C)O 103256633 IKGISHGTYWZNBZ-RWJJJZRFSA-N 381.385 0.236 0 1 GCAF C/C=C1/C[C@@H](COC(C)=O)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 238731348 JAWLPMQZKYJXPI-ORVQPHEDSA-N 393.436 0.736 0 1 GCAF CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 255223720 KRJHGNYSGWSYLV-QUNSLWISSA-N 382.497 0.911 0 1 GCAF O=C(O)CSCC(=O)N1CC[C@H]2NC(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 4260807 LCQAQALEMVMZAC-RISCZKNCSA-N 381.385 0.669 0 1 GCAF biogenic OC[C@H]1O[C@H](Oc2cc(O)cc(/C=C\c3ccc(O)cc3)c2)[C@@H](O)[C@@H](O)[C@@H]1O 15112485 HSTZMXCBWJGKHG-OWFAIBTRSA-N 390.388 0.447 0 1 GCAF N[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nncs2)C1 27636113 JQYBZBWFWZCPHU-SSDOTTSWSA-N 376.373 0.612 0 1 GCAF CC(=O)O[C@@H](C)[C@@H](/C=C/[C@@H]1O[C@@H]1[C@@H]1OC(=O)C=C[C@@H]1OC(C)=O)OC(C)=O 33955327 WSMOXQBLJXEQNX-GMHYHFCSSA-N 382.365 0.607 0 1 GCAF biogenic,in-vitro COC(=O)c1ccc(-c2ccc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cc2)cc1 53313599 MHSXVUJORQQJOJ-JAYZULETSA-N 390.388 0.319 0 1 GCAF 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ALCASKFEYQNXPX-HBFSDRIKSA-N 385.512 0.761 0 1 GCAF COC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OC[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 299845838 JPDQRHRHTFZMHU-DJTLRTFMSA-N 398.456 0.452 0 1 GCAF O=C(NC1CCCC1)N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@H](O)[C@@H]1O 2356289929 DPTRJZRIVQSRAK-LFVTVUPYSA-N 386.456 0.692 0 1 GCAF CS[C@]12CC3=CC=C[C@@H](OC(C)=O)[C@@H]3N1C(=O)[C@@](CO)(SC)N(C)C2=O 2356806740 VXWHYQLJXLMKDT-UTJXIGIESA-N 398.506 0.598 0 1 GCAF O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)CN21)NC1CC1 12530542 BAJLTFFHVKVRBP-BBWFWOEESA-N 385.468 0.808 0 1 GCAF biogenic C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N=O)c3csc(N)n3)[C@H]2SC1 13813256 ARLUIXDNJOUYAM-JOAULVNJSA-N 395.422 0.457 0 1 GCAF CO[C@H]1C[C@@]23[C@H]4C[C@@H](C(C)(C)C)[C@@]25[C@@H](OC(=O)[C@@H]5OC)O[C@@]3(C(=O)O1)C(=O)O4 195317188 NNTPCQLOJCHHSL-NOVCCJFJSA-N 396.392 0.537 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3cccs3)[C@@H](O)[C@H]2O1)NC1CC1 2356288794 LFECHLSWAADANC-KSMPYDNASA-N 381.454 0.824 0 1 GCAF COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1cn(C)nc1C 13596700 WICSNXIKYXUXAE-KRWDZBQOSA-N 385.468 0.744 0 3 GCAF COC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C 61946325 BOUWOFDIRQBKSW-IIAWOOMASA-N 397.476 0.501 0 3 GCAF COc1ccc(Cn2cc(CN3C[C@H](N4CCCC4)CS3(=O)=O)nn2)cc1 96020815 MCGJUYRWUHJNDF-KRWDZBQOSA-N 391.497 0.945 0 3 GCAF CC1(C)O[C@@H]2O[C@@H](COc3nc(N)nc4[nH]cnc34)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 33836692 JYCGZVPVCFOJMF-JGCHQPFLSA-N 393.400 0.710 0 1 GCAF O=C(NCC(F)(F)F)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 95879272 HRAVLIPSKVKWCG-DDUYRFODSA-N 385.386 0.900 0 1 GCAF O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)[C@H]2CCCNC2)CC1 103229422 UZXRZQIHGCMFDV-HNNXBMFYSA-N 397.479 0.526 0 1 GCAF CSc1ccc2nc(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2c1 587223949 XLIYTMURDYRXGO-ONGXEEELSA-N 380.426 0.589 0 1 GCAF CC1(C)C[C@@H](NC(=O)n2cnc(N)n2)C[C@@](C)(CNC(=O)n2cnc(N)n2)C1 1772576795 SORIZVXCLLQLBR-QLJPJBMISA-N 390.452 0.435 0 1 GCAF O=C1CC=C2[C@H]3N1c1c(O)cccc1[C@]31CCNCC(=CCO)[C@@]2(O)CC1=O 2356769436 FCEPDJHRTOBDLL-HKBOAZHASA-N 382.416 0.291 0 1 GCAF C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@]3(O)[C@H](C)C(=O)O[C@@H]3C)[C@H]12 1625086 LZKFLVDOCDILCY-ASZUKRSYSA-N 393.436 0.734 0 1 GCAF CC(=O)NC[C@H]1C[C@@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)CO1 26827843 ZICFDNXTOYIPCU-IOJHDDLYSA-N 384.454 0.167 0 1 GCAF N=C1NC(=O)/C(=C/c2ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc2)S1 72181314 WHJALQSMNYZWCB-PAKSIRSJSA-N 377.378 0.873 0 1 GCAF CC(C)(C)C(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CC1 95605043 NLWGXBIMKIVVNG-XMTFNYHQSA-N 386.533 0.343 0 1 GCAF CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)c1ccc(F)cc1 95881472 BBMUHFCQMOUBDR-JZGRTCEGSA-N 399.422 0.880 0 1 GCAF COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@@H]2[C@H](CO)O1 95901411 IMIOHDVFACJXOK-YIYSPXCVSA-N 378.425 0.744 0 1 GCAF Cc1ccc(S(=O)(=O)NN/C=C2\C=C([N+](=O)[O-])C=CC2=O)cc1[N+](=O)[O-] 13120471 AKVUIVUATPDDFF-CSKARUKUSA-N 380.338 0.870 0 3 GCAF CS(=O)(=O)N1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)[C@@H]2C1 25207838 ZEMLBLQINDSYAF-AWEZNQCLSA-N 375.406 0.985 0 1 GCAF biogenic COc1ccccc1CNc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49019943 RDBVQLRPLJFYBG-DRRHNWJESA-N 387.396 0.059 0 1 GCAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)O)N1 587833888 PTGLJQVMVILWNZ-RWWRYBGISA-N 378.238 0.627 0 1 GCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H]2OC(=O)[C@@H](O)[C@H]2O)N1 587846024 CRAWNBFPIFYPCP-DCTILCHWSA-N 390.205 0.172 0 1 GCAF Nc1ncnc2c1c(-c1cccc(Cl)n1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1857583551 MDEPBLUQRLOMQJ-RVXWVPLUSA-N 377.788 0.340 0 1 GCAF COc1ccc(CN2C(=O)[C@H]3C[C@H](O)CN3C3(CN(CC(C)C)C3)C2=O)cc1 2356290717 AFXVKRXTXIJUMT-FUHWJXTLSA-N 387.480 0.710 0 1 GCAF CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](NS(=O)(=O)c3cccs3)CCN2C1=O 2356305710 YVTFNRYKRHMCFB-AGIUHOORSA-N 385.511 0.931 0 1 GCAF Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@H](NCc3ccncc3)[C@H]2O)cc1 2356626872 MYAYVOWFHCUNGJ-OKZBNKHCSA-N 377.466 0.586 0 1 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O=C(O)COC(=O)c1cc2ccccc2c2c1S(=O)(=O)N(CC(=O)O)C2=O 11536145 IXLBOIRSEDMRPI-UHFFFAOYSA-N 393.329 0.310 0 1 GCAF in-vivo O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1-c1sccc1Br 27524675 WTPCEGWZXOSLSS-GUBZILKMSA-N 389.227 0.668 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(NCCc4ccccc4F)ncnc32)[C@H](O)[C@@H]1O 49019694 BYDLASZLIYQEFS-DRRHNWJESA-N 389.387 0.232 0 1 GCAF COCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO 95663892 MNXZFCVGXSKIEH-LVCYWYKZSA-N 381.432 0.893 0 1 GCAF CC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)C3=C[C@@H]4C=NN[C@H]4N=C3)CC1)C2 261186363 XPBFKHLWNBYPAN-CXAGYDPISA-N 395.467 0.653 0 1 GCAF COC[C@@H]1C(=O)[C@]23C[C@@H]1C[C@@H](O)[C@H]2[C@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O 653737671 URACXFCMOSKOEL-YOIWSXETSA-N 394.464 0.902 0 1 GCAF CC(C)NC(=O)NC[C@@H]1OC[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@@H]1O 2356737651 NIMFJIHKWMARSX-PMPSAXMXSA-N 385.486 0.016 0 1 GCAF Nc1nc(SCc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 29057440 HEWUQFYYFBVBKP-XNIJJKJLSA-N 389.437 0.312 0 3 GCAF CCCCOC(=O)N[C@@H](CNC(=O)C[C@@H]1CC(C2CCNCC2)=NO1)C(=O)O 13763408 UPHAJAPBEVTBTH-ZFWWWQNUSA-N 398.460 0.617 0 1 GCAF CC(C)(O)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@H]1O[C@]13[C@@H]2O 85541368 APBNDXHFQWSYOS-OAAVWXGASA-N 376.405 0.218 0 1 GCAF biogenic,in-vitro Cn1c(=O)n(CCOC(=O)CNC(=O)c2cccc(F)c2)c(=O)c2ccccc21 96934404 AIEDOKUQKVRQOC-UHFFFAOYSA-N 399.378 0.813 0 1 GCAF CCOC(=O)C[C@H](NC(=O)[C@@H](N)C(C)C)[C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC 98084063 VZWUEEMBFVEBOP-YSZIICFESA-N 388.461 0.299 0 1 GCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(N4CCSCC4)nc23)N1 205033914 AHDJEQAVTOGMPF-XFFZJAGNSA-N 386.441 0.432 0 1 GCAF c1cnc(O[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2nnnc2Sc2ncccn2)nc1 2356628681 BDUBKGQCYMBJKR-WYUUTHIRSA-N 386.397 0.191 0 1 GCAF CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNCc2ccccn2)[C@@H](O)[C@H]1O 8627168 XJZFPKJGPQYJRL-IZZBFERCSA-N 385.464 0.709 0 1 GCAF biogenic CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCN(S(C)(=O)=O)CC3)C(=O)O1 27428579 KNQXSHPUOUEDFR-INIZCTEOSA-N 381.454 0.508 0 1 GCAF COc1cccc(N2C(=O)[C@H]3CN(C(=O)[C@@H]4CSCN4)CCN3C2=O)c1 67902318 ZJSOYTKQNQVHHS-UONOGXRCSA-N 376.438 0.337 0 1 GCAF biogenic COC(=O)Cn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@H](C(C)C)N2 82224221 PLGGVIOXPHBFSX-CQSZACIVSA-N 388.424 0.951 0 1 GCAF O=C(C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1nccs1 95676121 BGYIYMFDHNUKRK-MELADBBJSA-N 383.470 0.923 0 1 GCAF COc1ccc(CNC(=O)C[C@H]2C=C[C@H](NC(=O)CN(C)C)[C@@H](CO)O2)cc1 95907054 VWYZNXAXUASMBN-FGTMMUONSA-N 391.468 0.064 0 1 GCAF N#Cc1ccnc(-c2c(N[C@@H]3CCCNC3)[nH]c(N3CCOCC3)nc2=O)c1 221553385 MJYWOUPWKWXXBI-CQSZACIVSA-N 381.440 0.704 0 1 GCAF COCC(=O)N[C@@H]1[C@@H](c2cccs2)N(C(=O)N2CCOCC2)CC[C@]1(C)O 2356288628 IDKJGVOOMUDKCF-NUJGCVRESA-N 397.497 0.829 0 1 GCAF CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC1=O 2356815566 CTCHFPZQWNZVNJ-DZKIICNBSA-N 375.425 0.218 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCc5cc(O)ccc54)ncnc32)[C@H](O)[C@@H]1O 13649443 VGUMDIPNXQFLGI-BYMDKACISA-N 399.407 0.243 0 1 GCAF CN1CCN(C(=O)CCc2nc(CS(=O)(=O)c3ccccc3)no2)CC1 21649395 HZLRAWKDVGKUKM-UHFFFAOYSA-N 378.454 0.750 0 1 GCAF C[C@H](CC[C@H]1[C@H](C)C[C@H](O)CC1(C)C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 70455063 IOICPLCBYINMDA-FLSOLMFXSA-N 376.490 0.405 0 1 GCAF biogenic,in-vitro O=S1(=O)C[C@@H](N2CCN(CC3CC3)CC2)[C@@H](COCc2ccccc2)N1 72141106 DMKFWAAYCXYTNT-RTBURBONSA-N 379.526 0.901 0 1 GCAF CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CCOCC2)O1 95887394 MWTQFHHONBVRQP-LTIDMASMSA-N 384.473 0.075 0 1 GCAF CCCCOC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@H](OC(=O)C=Cc2ccc(O)cc2)C1 2356378482 LOODTFZXXKMJEN-QXOCSCLMSA-N 394.420 0.907 0 1 GCAF CCc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(Cl)cc12 2356743757 ATIPNNBWCXUITL-SOKJMZBUSA-N 386.784 0.188 0 1 GCAF CC(C)[C@H](N)C(=O)OCN1C(=O)CC[C@H](N2C(=O)c3ccccc3C2=O)C1=O 13911379 CDFDXHJVZKXONN-ZFWWWQNUSA-N 387.392 0.284 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(Cn4ccc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 29056984 FIKFEYCVLWVMHB-KLICCBINSA-N 381.392 0.441 0 1 GCAF CCOC(=O)CN1C(=O)CN(S(C)(=O)=O)CC[C@H](OC)c2ccccc21 299852902 ZCOYNRIPXXSXGG-HNNXBMFYSA-N 384.454 0.936 0 1 GCAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 586930963 XDMPMYPARKZAPB-UHFFFAOYSA-N 396.450 0.745 0 1 GCAF Cn1nc(C(=O)O)c(I)c1-c1nc2ncnc(N)c2[nH]1 587180147 DCVMTMNNXFNTKX-UHFFFAOYSA-N 385.125 0.638 0 1 GCAF Cc1cc(Cl)cc2nc(C[C@@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c12 587218783 LJZOBWPYKSCFEC-NXEZZACHSA-N 382.804 0.829 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587220152 MWGHFJCJIYNYMX-BDAKNGLRSA-N 396.331 0.224 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3cnccc3Cl)[C@@H](O)[C@@H]2O1 2356435637 IOXZUPWKIJMWNW-KATVLWTNSA-N 399.875 0.263 0 1 GCAF O=C(NC[C@@H]1CCCO1)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1 4569031 VBFSOTVMIVMYDS-GJZGRUSLSA-N 395.481 0.251 0 3 GCAF COc1ccc(Cn2cc(CN3C[C@@H](N4CCCC4)CS3(=O)=O)nn2)cc1 96020816 MCGJUYRWUHJNDF-QGZVFWFLSA-N 391.497 0.945 0 3 GCAF CC[C@@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)[C@@H]1OC(C)=O)[C@H]23 2356528479 XIYZMOFCMDIBKI-CHUMSJGLSA-N 395.452 0.814 0 1 GCAF OCCCNc1ncnc2c1ncn2[C@H]1CN(Cc2ccncc2)C[C@@H](CO)O1 61904311 VKCJVGXRQQJQLA-JKSUJKDBSA-N 399.455 0.408 0 3 GCAF NCCN1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)CC1 201469376 IPNLBXTVMSXAAD-UHFFFAOYSA-N 392.525 0.641 0 3 GCAF CNc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@]2(CO)C[C@@H]12 101355518 JBPZNHLPOYFQSQ-NDPIOBCDSA-N 389.736 0.943 0 1 GCAF O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCN(CCO)CC1 145353505 XGXCENIYGKGHNC-UHFFFAOYSA-N 396.491 0.990 0 1 GCAF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c(S)nc(S)nc3[nH]2)c1 586937215 WZGMCWUTFBHKIA-UHFFFAOYSA-N 396.479 0.361 0 1 GCAF NC(=O)CS[C@@H]1NN[C@@H]2N[C@@H]3c4ccccc4CC4(CCCC4)[C@H]3C(=O)N12 605751553 UHWULBYMDWHSMQ-XYVMCAHJSA-N 387.509 0.786 0 1 GCAF C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)Nc1ccc2c(c1)=NC(=O)N=2 618014625 AIMLWMQBUZVORH-GSDQYQHOSA-N 378.392 0.206 0 1 GCAF COc1ncccc1CNC[C@@H]1O[C@@H]2C[C@H](CC(=O)NC(C)C)O[C@@H]2[C@@H]1O 2356295406 VIUFRFNTEOUPDT-XHHISWJOSA-N 379.457 0.380 0 1 GCAF O=S(=O)(N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@@H]1O)c1ccccc1 2356689604 PXLVDTOTRGXSDX-ODVANORSSA-N 378.454 0.244 0 1 GCAF O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCOCC2)O1)NCC1CC1 95887260 NCINSYYDRJCYKJ-NMLBUPMWSA-N 396.528 0.939 0 1 GCAF O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CC1 95904039 KCJLPEXOQNKRCT-KZNAEPCWSA-N 396.509 0.931 0 1 GCAF CO[C@H]1C[C@@]23[C@@H]4C[C@@H](C(C)(C)C)[C@@]25[C@@H](OC(=O)[C@@H]5OC)O[C@]3(C(=O)O4)C(=O)O1 195317174 NNTPCQLOJCHHSL-ZUQYHGCESA-N 396.392 0.537 0 1 GCAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586940251 YCKIKGOFXOAHOE-SECBINFHSA-N 383.455 0.739 0 1 GCAF N[C@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)C(=O)N[C@H](CCC(=O)O)C(=O)O 587220200 NBNSORSLMBSLEQ-TZMCWYRMSA-N 388.424 0.746 0 1 GCAF COc1cc2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2cc1C 587222846 UQTFBOPCQICRPF-ZJUUUORDSA-N 378.385 0.184 0 1 GCAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2[C@@H](F)[C@H](O)[C@H](O)[C@H](C)O 963187596 IPJMHWCKKKXEMG-JCGHTHDYSA-N 399.459 0.837 0 1 GCAF COC(=O)[C@H](CO)[C@@H]1C=C2[C@H](CC1)[C@@]13CO[C@@]2(O)[C@H](O)[C@@H]1C(C)(C)CC[C@H]3O 2356413981 CXWSMSXODSNXPC-HFVUNWQKSA-N 396.480 0.597 0 1 GCAF CC(=O)N1CCC(N[C@@H]2C[C@H](O)[C@@H](CO)[C@@H]2Cc2ccnc(C3CC3)n2)CC1 2356746956 DFHPVEOSFPDWAM-HAGHYFMRSA-N 388.512 0.855 0 1 GCAF N=C(N)c1ccc(C(=O)N[C@H](COc2cccc(C(=N)N)c2)CC(=O)O)cc1 13518260 VIWWTRPXELSSKK-AWEZNQCLSA-N 383.408 0.907 0 1 GCAF COCCNC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 95600592 LSZBVVJSMSSYDQ-OIISXLGYSA-N 398.481 0.111 0 1 GCAF CCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)CN1CCOCC1 95895170 ZFUOFKKSDQWECY-ABSDTBQOSA-N 375.469 0.200 0 1 GCAF CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H]5[C@@H](CO[C@@H]5[C@@H](O)[C@H]3[C@]23CO[C@@H](O)[C@H]13)C4=O 141468730 CWVXJOWTWLNNLJ-ZRHWVNSDSA-N 378.421 0.264 0 1 GCAF COc1cc(OC)c(C=c2nc(O)c(=Cc3ccccn3)nc2O)c(OC)c1 299807858 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OROXFGPUFVFZQS-UHFFFAOYSA-N 381.344 0.122 0 1 GCAF CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)CN1CCOCC1 95895110 YXKYOXQJAAHLST-NSHGMRRFSA-N 375.469 0.152 0 1 GCAF O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CC1 95904037 KCJLPEXOQNKRCT-OKZBNKHCSA-N 396.509 0.931 0 1 GCAF CC(=O)O[C@H]1C[C@@](C)(OC(C)=O)C(=O)CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@H](CO)[C@H]12 525915098 RBVQQTSGUPXDEI-OKFJPPBLSA-N 398.408 0.301 0 1 GCAF biogenic CN1CCN(NC(=S)SCC(=O)NCc2ccc3c(c2)OCO3)CC1 1772580414 FWJKLFCRSMDDKW-UHFFFAOYSA-N 382.511 0.802 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NCc3ccccc3)[C@H](O)[C@H]2O1)NC1CC1 2356573053 YHJHGKCEZPNPLS-KWWJQKEASA-N 389.452 0.440 0 1 GCAF C=CCNC(=O)N[C@H]1CCN(C(=O)C=C(C)C)[C@H]1C(=O)NCCCC(=O)OC 25174169 JHYGNVHWUPAMNT-WMLDXEAASA-N 394.472 0.477 0 1 GCAF biogenic CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 84587403 AMEJUCGWZIFBAU-FJJYHAOUSA-N 379.431 0.529 0 1 GCAF CN(C)CC(=O)N[C@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO 95907367 RJRBPHDBUORXJM-BQFCYCMXSA-N 379.505 0.912 0 1 GCAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccnc(N)c3[nH]2)[C@@H](C)O)cc1 586938997 ZOKSSOGGZOGKHW-NOZJJQNGSA-N 377.426 0.949 0 1 GCAF COc1ccc(CN2C(=O)[C@@H]3C/C(=C\N(C)C)C(=O)N3[C@@H]2N(C)C)c(OC)c1 1911574385 WSDGZSWMCYHBMC-CVTZJTOPSA-N 388.468 0.938 0 1 GCAF CNC(=O)[C@H](c1ccccc1OC)N1CCC[C@@H]1C(=O)NCCNC(C)=O 2356298926 KKKYLZGMXRTUKP-WBVHZDCISA-N 376.457 0.199 0 1 GCAF Cc1ccc(CN2C(=O)[C@@H]3C[C@H](O)CN3C3(CN(CC(C)(C)C)C3)C2=O)o1 2356725309 DFEHMXSRSLFBTN-HOCLYGCPSA-N 375.469 0.993 0 1 GCAF COCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1 169704552 NZDUWNZFQFPOQD-UHFFFAOYSA-N 397.453 0.675 0 3 GCAF CS(=O)(=O)Oc1ccc(S(=O)(=O)CS(=O)(=O)C(F)(F)F)cc1 39179841 MDMCWNFJAZIMNM-UHFFFAOYSA-N 382.359 0.691 0 1 GCAF COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 95795073 ZAUUIHFOYHZVES-OPYAIIAOSA-N 381.432 0.893 0 1 GCAF Cc1c(Cl)ccc2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c12 587219288 NTWIVDFKDNPKLD-KOLCDFICSA-N 382.804 0.829 0 1 GCAF N=c1c(NC(=O)CCCNC(=O)[C@@H](N)C2CCCCC2)c[nH]cc1C(=O)O 1857558338 VMLAKMIRFIHBCH-HNNXBMFYSA-N 377.445 0.935 0 1 GCAF O=C(Nc1ccccc1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NC(=O)N1CCOCC1 2356826909 HLMNYKGUAHNUOL-KLHDSHLOSA-N 377.397 0.812 0 1 GCAF CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(CC)CC)ncnc32)[C@H](O)[C@@H]1O 34229012 KDKRQJIYAKIOMH-PFHKOEEOSA-N 378.433 0.182 0 1 GCAF Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCN1CCN(C)CC1 65329715 NANXAQVNXSMRSA-UHFFFAOYSA-N 375.473 0.931 0 1 GCAF C[C@@H](CO)[C@]12O[C@H]1[C@H](C)[C@@]13O[C@@]14CCC1=C(COC1=O)[C@@H]4C[C@@H]1O[C@@]13[C@@H]2O 85508846 NFGOHYJHDNTTSQ-GTXPQZDOSA-N 376.405 0.076 0 1 GCAF biogenic,in-vitro CO[C@H]1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O 96174790 IKPSHISOVRXADL-LGOLQKBTSA-N 387.432 0.389 0 1 GCAF COc1ccc2c(CS(=O)(=O)NCCN3CCOCC3)cc(=O)oc2c1 103249065 TZTSAOCMZGTELT-UHFFFAOYSA-N 382.438 0.553 0 1 GCAF CC1(C)[C@@H]2C[C@@H]3OC(=O)[C@@]45C[C@@H](C[C@H](O)[C@H]4[C@]34CO[C@H](O2)[C@H]14)[C@](C)(O)[C@H]5O 255198744 BGFHWYWPPMAGAE-RVCFVCNJSA-N 380.437 0.198 0 1 GCAF O=S(=O)(NCCc1nc2c(O)nc(S)nc2[nH]1)c1ccc(Cl)nc1 586942134 HEQLINCKCRUHDD-UHFFFAOYSA-N 386.846 0.917 0 1 GCAF O=C1N[C@@]2(CO)c3nc4ccccc4c(=O)n3[C@@H]1C[C@@]21C(=O)Nc2ccccc21 13309812 XDRBDKVSHABELK-LPTQZCDUSA-N 388.383 0.549 0 1 GCAF OC[C@@H]1O[C@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 36272861 QNQVVNSRYWTXJV-MCNSXXNHSA-N 399.451 0.873 0 1 GCAF O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCc1ccncc1 95676224 ZNNAKNJWDLOPKK-KURKYZTESA-N 389.452 0.315 0 1 GCAF NC(=O)[C@H]1CS(=O)(=O)CN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1 149298333 LAQOLMPWGDLOIU-CQSZACIVSA-N 379.438 0.430 0 1 GCAF C[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCCNC1 1772599686 YWSQTXAUTPBHMW-HXUWFJFHSA-N 396.499 0.857 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(NCC4=CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 13649479 HPDZGAGMDATLJH-WVSUBDOOSA-N 395.419 0.489 0 1 GCAF NC(=O)C(=O)Nc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 13675110 QJACBTDXVCSQNN-UHFFFAOYSA-N 383.339 0.828 0 1 GCAF O=C(O)[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)CCC3CCNCC3)C2)CCC1=O 26401135 YFEFXIJHEGDAHU-HOTGVXAUSA-N 393.484 0.507 0 1 GCAF CCOC(=S)NCc1ccc(O[C@@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@H]2O)cc1 85877573 NZQNGCULBWTLGQ-NZLHIXKWSA-N 399.465 0.875 0 1 GCAF in-man C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NS(C)(=O)=O)c2O[C@H]1CN(C)C 95852456 NGOQGDZIZPAXSN-XEZPLFJOSA-N 399.513 0.840 0 1 GCAF COc1cccc(CC(=O)N2CCN(C(C)=O)C[C@H]2CN2CC[C@@H](O)C2)c1 26286822 HVIIWHNRMPBXJH-QZTJIDSGSA-N 375.469 0.364 0 1 GCAF C[C@@H]1COc2c(N3CCO[C@H](CN)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23 36399679 XFECWQXKZQMXOX-NXEZZACHSA-N 377.372 0.956 0 1 GCAF Nc1nc(Cl)c(/C=C/c2cccnc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 68198895 UXTNRWBXUJMHJT-VRIFSMQTSA-N 377.832 0.792 0 1 GCAF COc1cc(C[P@](=O)(O)CC[C@@H](N)C(=O)O)cc(F)c1OCC(=O)O 149072164 HLWOFNYCURCWQU-SNVBAGLBSA-N 379.277 0.870 0 1 GCAF Nc1ncnc2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc12 587185260 JDZWOEOCINOSGZ-UHFFFAOYSA-N 385.125 0.483 0 1 GCAF COc1ccc2cc(C3=NO[C@@]4(C3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc2c1 653691264 SUZQVBZYVHPFAL-UJWQCDCRSA-N 375.377 0.143 0 1 GCAF COCCc1nccc(C[C@@H]2[C@H](NCC3CCOCC3)C[C@H](O)[C@H]2CO)n1 2356288770 KQKLOKVTZWJTCP-OKYOBFRVSA-N 379.501 0.582 0 1 GCAF COc1cc([C@@H]2OC[C@](O)(C[C@@H]3CC[C@H](O)[C@@H](OC)C3)[C@]2(O)CO)ccc1O 2356354623 NUMDNVCHZUJORS-GZUUXPFWSA-N 398.452 0.493 0 1 GCAF COc1cc(O)c2c(c1CC=C(C)CO[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O)COC2=O 2356512748 CNPFAHSTHWYNNB-CNDLSXRNSA-N 396.392 0.016 0 1 GCAF O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1cccc(F)c1 95677067 SVHHNONGWSEYCY-GVDBMIGSSA-N 378.400 0.489 0 1 GCAF CC(C)C[C@H](N)C(=O)Nc1cc(C(=O)N[C@@H](CCCCN)C(=O)O)ccc1N 299863945 QLZROVORQJBNKS-GJZGRUSLSA-N 393.488 0.893 0 1 GCAF CCO[C@@H]1CC(=O)[C@H](C)OC(=O)C[C@H](C)OC(=O)C=C[C@@H](O)[C@H](C)OC1=O 2356436226 FRSLVQFQUNGOIH-XOBFJNJYSA-N 386.397 0.467 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)C(C)(C)C2 2356550511 QFXWNTWJLHHEKX-RFSOPEBBSA-N 394.464 0.427 0 1 GCAF Cn1cccc1C(=O)N1CCN2C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@@H]2C1 4270923 FHRZWLGIRLORDQ-RDJZCZTQSA-N 384.411 0.558 0 1 GCAF biogenic O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1nccs1 95676118 BGYIYMFDHNUKRK-MJBXVCDLSA-N 383.470 0.923 0 1 GCAF O=C(N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CC1 95903629 AKBNLSCHUNSEND-OAGGEKHMSA-N 378.473 0.865 0 1 GCAF CN(C)c1ncnc2c1c(-c1cccs1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 103250637 RURGJMFLONNIKK-IWCJZZDYSA-N 376.438 0.837 0 1 GCAF NC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccncc1 113491177 OCNNKDWLSOEVBC-IAGOWNOFSA-N 394.431 0.355 0 1 GCAF COc1ccc(S(=O)(=O)N[C@H](c2nc3c[nH]c(=N)[nH]c-3n2)[C@H](C)O)cc1 586938379 XCYCTYPYIGCHDO-UFBFGSQYSA-N 378.414 0.126 0 1 GCAF O=C(Nc1ccc(OCCO)cc1)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1 61906225 QJTZKZUUNYSJKD-RRFJBIMHSA-N 380.422 0.950 0 3 GCAF COC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C 61946277 BOUWOFDIRQBKSW-LZWOXQAQSA-N 397.476 0.501 0 3 GCAF CC(C)C[C@H](NC(=O)[C@H](O)[C@@H]1C=CC(=O)O1)[C@@H]1Cc2cccc(O)c2C(=O)O1 13366966 MXZNZZJLGOWQFM-ADOMEBDSSA-N 389.404 0.847 0 1 GCAF biogenic CNc1nc(Cl)nc2c1ncn2[C@H]1C[C@@H](OP(=O)(O)O)[C@]2(CO)C[C@H]12 27636347 JBPZNHLPOYFQSQ-LJYOZPSBSA-N 389.736 0.943 0 1 GCAF Nc1nc(N)c(-c2ccc(Br)cc2)c(CC[C@@H](O)[C@@H](O)CO)n1 28648504 IUAGAKHMGONNCS-NEPJUHHUSA-N 383.246 0.717 0 1 GCAF CC(C)NC(=O)NCC[C@H]1CC[C@H](NC(=O)CCN2CCCCC2)[C@@H](CO)O1 95678421 JVYCUASVIANWPE-FGTMMUONSA-N 398.548 0.985 0 1 GCAF N[C@@H](CC[P@](=O)(O)[C@H](O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)O 148618299 INJZQYHSHJHLEI-CPCISQLKSA-N 379.218 0.272 0 1 GCAF COc1cnc2c(C(=O)NCCO)cn(Cc3ncnc(N(C)C)c3C)c2c1 169353755 LCCDAYCGXSEETO-UHFFFAOYSA-N 384.440 0.980 0 1 GCAF COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O)[C@H](OC(C)=O)[C@@H]2O)cc1OC 238743673 ONEXBDOPCBANRU-DHIVZYCBSA-N 396.392 0.659 0 1 GCAF C=CC(=O)N1CC[C@H](n2nc(-c3cc(C(C)(C)O)n(C)n3)c3c(N)ncnc32)C1 1857599331 BZAVHUAPRBYWRZ-NSHDSACASA-N 396.455 0.996 0 1 GCAF CC(C)(O[C@@H]1COC(=O)[C@]1(C)O)[C@H](O)Cc1c(O)ccc2ccc(=O)oc12 2356402659 MVDZRRJNPJVSRY-PJIJBLCYSA-N 378.377 0.874 0 1 GCAF COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCOCC2)cc1C 14976074 SYEPWOYDIIFQCE-KRWDZBQOSA-N 375.469 0.989 0 3 GCAF OC[C@H]1O[C@@H](c2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 15260914 ISYJYFWUXHMCFY-ILOPOILRSA-N 390.388 0.489 0 1 GCAF endogenous,in-man CC(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C 40950566 FGCQVGQJXOFNDP-UHFFFAOYSA-N 376.388 0.926 0 1 GCAF Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(Cl)cc3)O2)c(=O)[nH]c1=O 95579630 DETDBZAEUKIACA-BFHYXJOUSA-N 394.815 0.969 0 1 GCAF CCCCN(CC)CC/N=c1/c(N2CCN(C(=O)OCC)CC2)c(O)c1=O 101508611 VFCFYLLZBNXFNE-HKWRFOASSA-N 380.489 0.929 0 1 GCAF COc1ccc(O)c(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c1 113068902 BKJLXRVLVMVOGX-SFGFDRCGSA-N 382.420 0.456 0 1 GCAF CC(C)(C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cccc2ccccc12 299832193 SLCUFVJKMFKYEA-UYTYNIKBSA-N 375.421 0.034 0 1 GCAF COc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1C 587219724 LKVUCCJJZCKJNP-NXEZZACHSA-N 378.385 0.704 0 1 GCAF COc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1C 587219731 LKVUCCJJZCKJNP-ZJUUUORDSA-N 378.385 0.704 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc3ncccc3c2[nH]1)C(=O)O 587220556 NLCUBWAUCUWSJE-MFKMUULPSA-N 385.380 0.415 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(F)c(F)c(F)c2[nH]1)C(=O)O 587221468 QBJQZKHDNOLVTJ-RQJHMYQMSA-N 388.302 0.284 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(NC4Cc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1O 6117197 NKTIWTYWGRTWOE-ZIGSKRJUSA-N 383.408 0.017 0 1 GCAF O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1COc1cccc2ccccc12 28366779 JCVPCRIJDQKCHE-CGTJXYLNSA-N 384.388 0.910 0 1 GCAF CCc1nsc(N2CCN(C(=O)[C@@H]3CN[C@H](C(=O)N4CCCC4)C3)CC2)n1 29130585 XFINKWKUYKZOKM-KBPBESRZSA-N 392.529 0.350 0 1 GCAF CC1(C)O[C@@H]2O[C@H](COc3nc(N)nc4[nH]cnc34)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 33836694 JYCGZVPVCFOJMF-JSCYOIMZSA-N 393.400 0.710 0 1 GCAF CS(=O)(=O)N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@H]12 36368427 GMAXPTWWZWZPEU-OIMNJJJWSA-N 382.467 0.701 0 1 GCAF biogenic CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(C)=O)CC3)nc1-2 45373289 AOJLBKYLAVRMQT-UHFFFAOYSA-N 383.456 0.758 0 1 GCAF CN(C)CC(=O)N[C@H]1CC[C@H](CCNC(=O)Nc2ccc(F)cc2)O[C@@H]1CO 95676492 HVYAXUQBEQKNPC-IXDOHACOSA-N 396.463 0.924 0 1 GCAF COCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO 95795427 UZFJFNKESOAZMD-WWGRRREGSA-N 383.242 0.593 0 1 GCAF COC[C@H]1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O 95913364 JXNJRPBFAVZWNL-XQDLBNFMSA-N 396.480 0.082 0 1 GCAF biogenic,in-vitro Cc1ccc2c(ccc3nc(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c32)n1 587221941 RUBHPHAGHVGTTJ-FZMZJTMJSA-N 399.407 0.724 0 1 GCAF CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)O 2356709711 RGMLUHANLDVMPB-BBWFWOEESA-N 392.500 0.396 0 1 GCAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@H](NC(=S)NC4CCCCC4)CO[C@@H]32)nn1 2356851932 QLFYKBHQTHHMDU-KBUPBQIOSA-N 395.485 0.569 0 1 GCAF CCCC/C=C\c1nc(N)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1 13759777 UWLLGYMGKGHTKE-YJPVPHRNSA-N 390.444 0.367 0 1 GCAF COCc1cn([C@@H]2CO[C@@H]3[C@@H](NC(=O)Nc4cccc(C#N)c4)CO[C@@H]32)nn1 36364446 RUHCWEOGOHNWSF-YLFCFFPRSA-N 384.396 0.825 0 1 GCAF biogenic O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@H]1c1nccs1 45366391 FDHFCQQIUWNICS-BFHYXJOUSA-N 395.506 0.949 0 1 GCAF C[C@@H](N1CCn2ncnc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 169339834 HHLQPEFRDAGHNS-SJKOYZFVSA-N 375.383 0.940 0 1 GCAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@@H](O)[C@H](O)[C@H](O)CO)N1 587835401 VYHYWVKGPJTVOV-URNWELKJSA-N 378.238 0.629 0 1 GCAF C[C@@H]1CCC[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C2=O 1857570568 QUTUODGLIAAMJE-PIGZYNQJSA-N 394.453 0.773 0 1 GCAF COc1c(N2CC[C@@H](CN)C2)c(F)cc2c(=O)n(CCN)c(=O)n(C3CC3)c12 1911586618 VTTBQIDFMFRPJI-NSHDSACASA-N 391.447 0.390 0 1 GCAF COC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN(C(=O)CCC2CCNCC2)C1 26466823 GUTGOHPTMQPGTD-GJZGRUSLSA-N 397.472 0.137 0 1 GCAF O=C(Cn1c(=O)oc2ccccc21)Nc1ccc2c(c1)C[C@]1(C2)NC(=O)NC1=O 28604459 JVOMOSNNTNWHME-FQEVSTJZSA-N 392.371 0.910 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(NC[C@@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 49126349 DUNKXLVWSLBCNL-IBEFBCMPSA-N 397.435 0.580 0 1 GCAF O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1nccs1 95869288 HOXLGSRZSGMPPI-BFHYXJOUSA-N 381.454 0.699 0 1 GCAF Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNC[C@H](O)C3)n2)cn1 211013779 WHGGAJVOOZRMSO-INIZCTEOSA-N 390.451 0.987 0 1 GCAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](O)[C@@H](O)CO)[nH]c3c2)cc1 586888642 IZQCJSJDDPKHQZ-JKSUJKDBSA-N 393.421 0.759 0 1 GCAF Cc1nc2c(o1)-c1c(O)cc(C)c3c1=C(C2=O)C(=O)[C@@]1(O)C=3O[C@H](C)C1(C)C 2356717961 HYEFHQJWCGRMCN-IJSAXESFSA-N 381.384 0.878 0 1 GCAF COCCNC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(C)on2)CN(C)C(=O)C1 2356731692 WDDCMHNJTNBDMV-KGLIPLIRSA-N 380.445 0.493 0 1 GCAF COC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C 61946281 BOUWOFDIRQBKSW-OFQRWUPVSA-N 397.476 0.501 0 3 GCAF CSc1nc(N)nc2c1ncn2CC(=O)N1CCN(c2ccccn2)CC1 61947340 SIAUNNSAKXUMRW-UHFFFAOYSA-N 384.469 0.874 0 3 GCAF CS(=O)(=O)N1CCC[C@H](Nc2nc(O)ncc2-c2cnc3[nH]ccc3n2)C1 168790223 HPYIEWCWRQCQOL-JTQLQIEISA-N 389.441 0.956 0 1 GCAF Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(N)=O 169701771 DXFLFRKKOUDIBQ-UHFFFAOYSA-N 379.384 0.972 0 1 GCAF CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)O 238767651 FHMZBXQUBYDSAZ-QZWWFDLISA-N 393.484 0.284 0 1 GCAF CCN1C[C@]2(C)CC[C@H](O)[C@]34[C@H]1[C@](O)(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O 255279821 XBAVRWWMTJPXJW-GVRSZGDHSA-N 393.524 0.366 0 1 GCAF COCc1cc(C[C@@H]2CC[C@H](O)[C@H](CNC3CCN(C(C)=O)CC3)O2)no1 2356288046 URRKNWFXTVIEPQ-WDSOQIARSA-N 381.473 0.873 0 1 GCAF CC1=C[C@@H]2[C@H](C(C)C)C(=O)C[C@H](C)[C@@H]2C[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356315498 FKHKXGQDMKLQLK-QQZRFCPQSA-N 398.496 0.635 0 1 GCAF COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2N=C(Nc3ccc(F)cc3)S[C@@H]12 2356851269 QFRFHFKHWLEKFN-SEBNEYGDSA-N 383.445 0.582 0 1 GCAF CCc1c(CN)c(CC)c(CNC2=NCCN2)c(CC)c1CNC1=NCCN1 1651692 ZNBVMSNGILHPJT-UHFFFAOYSA-N 385.560 0.930 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCOc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 13649562 ZYNGQOBUZLONDV-KFAHYOAQSA-N 399.407 0.374 0 1 GCAF OC[C@H]1O[C@@H](Oc2ccc(/C=C\c3ccc(O)cc3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O 95909543 VRXCSRLJRVQFIM-DYPPGDCXSA-N 390.388 0.447 0 1 GCAF biogenic,in-vitro C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@H]3C[C@@H]4CC[C@@H]3C4)ncnc21 101212154 CYNWVQQNSGCUDM-QXDYWETKSA-N 375.429 0.428 0 1 GCAF CS(=O)(=O)N1CC[C@@H](O)[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1 168984989 BNFKFVISRQDWHB-HUUCEWRRSA-N 388.453 0.827 0 1 GCAF N[C@@H]1CCCC[C@@H]1Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205017587 VRVXDUAIFMNCRZ-XNAKUGGASA-N 397.443 0.561 0 1 GCAF N[C@H](Cc1nc2ccc3ncccc3c2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587217967 DOKHFGOEUOMLNA-MFKMUULPSA-N 385.380 0.415 0 1 GCAF CS(=O)(=O)c1ccc(OC[C@@H]2C[C@H](NCc3nccs3)[C@@H](O)[C@H]2O)cc1 2356294893 RWJUNVMMKBMPCH-YJOCZYATSA-N 398.506 0.826 0 1 GCAF C[C@]12[C@@H](O)C[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO 2356673511 KSKRJBLNVSEHHN-UWFUVBSESA-N 382.497 0.624 0 1 GCAF CC(=O)O[C@H](COc1ccc2c(c1)[n+](=O)nc(N)n2O)CN1CCCCC1 31829747 KSCSPAUSPTUSCX-AWEZNQCLSA-N 378.409 0.567 0 1 GCAF CN(C)CCCNC(=O)C[C@H]1C=C[C@@H](NC(=O)c2ccccc2F)[C@H](CO)O1 95675580 XEUNAZXFOLKMJY-OLMNPRSZSA-N 393.459 0.698 0 1 GCAF CCN(CCN(C)C)C(=O)CNCc1cc(CNC(=O)C(F)(F)F)ccn1 224293505 NEJVXTLMGJPXNG-UHFFFAOYSA-N 389.422 0.760 0 1 GCAF Cn1nc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c(F)c1O 587156164 XKMACORKGNLOLR-UHFFFAOYSA-N 388.403 0.558 0 1 GCAF O=C(N[C@@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO)c1ccncc1 95676269 ZAWCCEHPCRSVNF-KSZLIROESA-N 391.468 0.653 0 1 GCAF CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 95795043 CWJBQADCDQSGJH-SCRDCRAPSA-N 389.271 0.380 0 1 GCAF CN[C@@H](C)C(=O)N[C@H](C)[C@H](O)[C@@H](C)C(=O)N1C(=O)C(C)(C)C(=O)[C@H]1C(C)C 238770881 WGXYHQKAYMMOTR-RKQHYHRCSA-N 383.489 0.085 0 1 GCAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]1(O)CC[C@]1(C)[C@@H]2C[C@H]2OC(=O)[C@@]1(O)[C@H]2O 2356673603 QWQDORALTITXKO-VVGUORSOSA-N 392.404 0.842 0 1 GCAF C[C@H](NC(=O)c1ccc(NC(=N)N)cc1)C(=O)N1CCC(CC(=O)O)CC1 26184376 RIGBQAUPRHDBAA-NSHDSACASA-N 375.429 0.824 0 1 GCAF CC(=O)NC[C@H]1CN(c2ccc(OC[C@H](O)CNC3CC3)c(F)c2)C(=O)O1 103254658 GWWAFVFYHOFPSP-CABCVRRESA-N 381.404 0.779 0 1 GCAF COC(=O)C1=C(C(=O)OC)[C@@H]2Nc3ccccc3[C@@]23C[C@H](C(=O)OC)NC3=N1 195350707 DNGPMQFGLGNMBH-WQBCIRTESA-N 385.376 0.266 0 1 GCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NCC(F)(F)F)nc23)N1 205018109 CEZWMSIKAYINNL-BAQGIRSFSA-N 382.306 0.853 0 1 GCAF C[C@H](O)CNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 299883934 SFPOVYDBJGXTPE-YXJHDRRASA-N 384.436 0.774 0 1 GCAF Cc1c(C(=O)N2CC[C@@H](N3CCOCC3)C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857602997 NRVPCUSGQKTWPZ-CQSZACIVSA-N 397.439 0.063 0 1 GCAF O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NCCn1cccn1 13595853 HUUISRXIKLLRFA-MRXNPFEDSA-N 377.395 0.668 0 3 GCAF CC(C)C[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)n1c(=O)[nH]c2ccccc2c1=O 16025765 ZXBWYXAJSHQNLM-HONMWMINSA-N 377.397 0.227 0 1 GCAF biogenic Cc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 20511165 GHFURCDSKAYEBV-KRWDZBQOSA-N 381.498 0.900 0 1 GCAF O=C(O)CCC(=O)N[C@@H]1c2ccccc2-c2[nH]c(=O)c3nc(C(=O)O)cn3c21 28226069 MNRVYGMJSMXOLO-CYBMUJFWSA-N 382.332 0.772 0 1 GCAF C[C@@H](CCc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 48998668 WUTZGWRERPWMAI-IBEFBCMPSA-N 399.451 0.871 0 1 GCAF Cn1c(=O)n(CCOC(=O)CNC(=O)c2ccccc2)c(=O)c2ccccc21 96934625 IOMIDMDXNKZIOK-UHFFFAOYSA-N 381.388 0.673 0 1 GCAF N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)C(F)(F)F)cc1 1772571959 GDKCFEAHNSERHN-NSHDSACASA-N 378.376 0.901 0 1 GCAF O=C(NCCCCO)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCCCO 4411259 YMIYMFBPMMRMNM-UHFFFAOYSA-N 382.301 0.670 0 3 GCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(F)c(F)c(F)c2[nH]1 587223636 XCXGTYKDWRVYDN-RQJHMYQMSA-N 388.302 0.804 0 1 GCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](N)[C@@H](O)[C@H](O)CCO)N1 587747326 PREPPMUAJHULIY-FWPDIWJBSA-N 377.254 0.595 0 1 GCAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@H](O)[C@@H](O)[C@H](C)O)N1 587825882 BLFUGWSTUPYFBY-SQDPANJDSA-N 378.238 0.413 0 1 GCAF COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC 841414 FACJCZHMOYUSSW-ZDUSSCGKSA-N 388.472 0.922 0 1 GCAF O=c1ccc2c(Br)cc(O)c(S(=O)(=O)N3CCNCC3)c2o1 29131972 HMXROWWCRCEFPW-UHFFFAOYSA-N 389.227 0.855 0 1 GCAF O=C(Cc1ccccc1)N[C@@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO 95675645 CLBFLRMDTNZFIM-KZNAEPCWSA-N 376.453 0.503 0 1 GCAF O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCc1ccncc1 95676225 ZNNAKNJWDLOPKK-OKZBNKHCSA-N 389.452 0.315 0 1 GCAF CC(=O)NCCNS(=O)(=O)c1ccc2nc(-c3c(C)n[nH]c3N)sc2c1 114398314 YBHBLONYRPQEKN-UHFFFAOYSA-N 394.482 0.991 0 1 GCAF O=Cc1c(O)ccc2nc(N3CC[C@H](NC(=O)CN4CCOCC4)C3)ccc12 221063954 DGBJROJOPHSKNU-AWEZNQCLSA-N 384.436 0.780 0 1 GCAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H](F)[C@H](F)C3)n2)cn1 221203287 ISKCSJVYMZOHGJ-ZDEQEGDKSA-N 375.383 0.990 0 1 GCAF Cc1c(C(=O)N2C[C@@H]3CC(C)(O)C[C@H]3C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857533720 SQPIBOZIVPYPGG-STQMWFEESA-N 382.424 0.750 0 1 GCAF CC1=C(C(=O)NCCOCCOCCN)[C@H](c2cccc(O)c2)NC(=S)N1 28827191 IPQUUOBGQFXZQP-INIZCTEOSA-N 394.497 0.293 0 1 GCAF CNC(=O)C[C@H]1O[C@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O 49125455 NDAHSVDMGXMEIZ-OYWVLEMYSA-N 398.423 0.194 0 1 GCAF COc1cc2c(cc1OC)[C@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)N(C)CC2 238772289 RAVTVYGYRMZHSJ-KXBFYZLASA-N 392.500 0.449 0 1 GCAF COC(=O)C1=CO[C@H](O)[C@@H]2C(CO)=C[C@@H](OC(=O)C=Cc3ccc(O)cc3)[C@H]12 2356328962 NGBISIYSMBMXDF-LBKNJMOBSA-N 388.372 0.887 0 1 GCAF CO[C@@H]1[C@@H]2[C@@]3(O)[C@]45O[C@](O)(C[C@@]2(C)[C@]4(O)CC[C@@H](C)[C@H]5O)[C@]3(C)[C@]1(O)C(C)C 2356599821 NIWSYGGVEJKUFU-HFAFNONRSA-N 398.496 0.159 0 1 GCAF C[C@H](c1ccccc1)N1C(=O)[C@@H]2CN(C(=O)COCC(=O)O)CCN2C1=O 25430423 WCCIEHHFYFBQHQ-OCCSQVGLSA-N 375.381 0.324 0 1 GCAF biogenic 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CC(C)[C@@H]1C=C[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C=C[C@@H](O)[C@@]2(C)C1 2356375252 WVAZFPRTVUSMPH-YSOIMIBMSA-N 398.496 0.204 0 1 GCAF COc1cc2c(c(OC)c1OC)C(=O)O[C@@]21[C@H](O)[C@@H](O)C=C2CCN(C)[C@H]21 2356518743 ARKFTBZTMGGQCK-OBPDSEFTSA-N 377.393 0.444 0 1 GCAF O=C(OC[C@@H]1O[C@H](Oc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 254036116 ZNWJKOJJZQDPSW-LVEJAMMSSA-N 376.361 0.436 0 3 GCAF O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H]1COCC1=O 29566806 UDLFAXDTJKYFJA-NWDGAFQWSA-N 390.417 0.949 0 1 GCAF Nc1nc(Sc2ccccc2)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 34591136 ICYRARAHDADHPZ-NFOTXUCKSA-N 375.410 0.171 0 1 GCAF COCCOC(=O)CCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(C)=O 45484275 JXCLEKFTGVALRI-KRWDZBQOSA-N 378.425 0.389 0 1 GCAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586938520 KEBACGJNCPBRQB-MRVPVSSYSA-N 376.398 0.667 0 1 GCAF NN[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1 29394058 YZPSOECSLOKRML-IMSIIYSGSA-N 382.829 0.126 0 1 GCAF O=C(C[C@H]1CC[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCc1ccncn1 95797025 YOCRZHXVPNTEOH-IXDOHACOSA-N 385.424 0.216 0 1 GCAF COC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 103104236 DUTLCPVDWZIPRE-AUIICZMPSA-N 384.429 0.204 0 1 GCAF COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3C[C@H](OCCO)C3)c2=O)cn1 261115758 ISROHHNFTMLKES-JOCQHMNTSA-N 398.423 0.860 0 1 GCAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)O[C@H]([C@@H](O)CO)[C@H]1OCC 587485901 KILZSTGLZNHZSZ-WFEDQXDTSA-N 380.393 0.732 0 1 GCAF O=C(Nc1ccc(OCCO)cc1)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 61895949 QJTZKZUUNYSJKD-SOUVJXGZSA-N 380.422 0.950 0 3 GCAF COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)c2ccco2)CCN1 25417605 HFNJOUZRJPDILM-HOTGVXAUSA-N 385.420 0.594 0 1 GCAF biogenic CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(=O)c3ccccc3[nH]2)CC1 34229550 BTYKYRUKSMMQLT-UHFFFAOYSA-N 386.408 0.559 0 1 GCAF C[C@H](CO)N1CCN(C(=O)OC2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 223494871 CZIOFHAIFBVQOU-CQSZACIVSA-N 391.472 0.284 0 1 GCAF Cc1c(C(=O)N2CCN(C3CCC3)CC2)cnn1-c1nc(=O)c2cccn2[nH]1 1857597201 PEUWYEXAGBUPKJ-UHFFFAOYSA-N 381.440 0.827 0 1 GCAF COc1cc(C=CC(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)cc2occc12 2356408498 HHURSLXIRSAKMX-JPFBJGCUSA-N 392.360 0.698 0 1 GCAF O=C1[C@H]2C[C@H](O)CN2C2(CN(Cc3cccs3)C2)C(=O)N1Cc1cccnc1 2356586184 OWWWTKHWOSBWQW-DOTOQJQBSA-N 398.488 0.702 0 1 GCAF CC=C(C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)[C@]3(O)[C@H](C)OC(=O)[C@@H]3C)[C@H]12 2356632557 NRYICLSFNMBTFB-XKJUKCGPSA-N 395.452 0.814 0 1 GCAF CN(C)CC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO 95907167 MWWNFIBCXYYYCA-IXDOHACOSA-N 397.903 0.933 0 1 GCAF O=C(O)c1cccc(-c2ccccc2O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1 169320738 SCIBHVOFQINYLN-RXYDEIHYSA-N 376.361 0.231 0 1 GCAF O=c1c2ncn(CCC(CO)CO)c2[nH]c2nc(-c3ccc4c(c3)OCO4)cn12 1857565476 OJFFRNJDWVPFMT-UHFFFAOYSA-N 397.391 0.759 0 1 GCAF CC1(C)[C@@H]2[C@@H]3OC[C@@]24[C@H](C[C@H]1O3)OC(=O)[C@@]12C[C@@H](C[C@H](O)[C@@H]14)[C@@](C)(O)[C@H]2O 2356398751 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390.388 0.159 0 1 GCAF N[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)O)cc2)C1 27990333 NGBSCJVHPBUQQA-FMKPAKJESA-N 395.481 0.782 0 1 GCAF C/C=C1/C[C@@H](COC(C)=O)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 169393669 JAWLPMQZKYJXPI-CZALMGRGSA-N 393.436 0.736 0 1 GCAF COCC(=O)NC[C@@H]1OC[C@@H](N(Cc2ccccn2)Cc2ccccn2)[C@H]1O 2356287609 MISBBAFNUMSYDP-WSTZPKSXSA-N 386.452 0.370 0 1 GCAF COCC(=O)N[C@@H]1[C@H](c2cccs2)N(C(=O)N2CCOCC2)CC[C@@]1(C)O 2356288627 IDKJGVOOMUDKCF-LZLYRXPVSA-N 397.497 0.829 0 1 GCAF C[C@@H]1O[C@H](n2c(I)cc3c(N)ncnc32)[C@@H](O)[C@@H]1O 2356444456 WMOMIBDLQSCJFM-AJRXIIKVSA-N 376.154 0.257 0 1 GCAF O=C(NCCO)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 4533685 FEQGZHAFMVPPKI-IEBWSBKVSA-N 398.463 0.818 0 1 GCAF COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)O[C@@H](C)[C@H](O)[C@H]2OC(C)=O)ccc1O 33830231 NIFRPWXJGCHSOO-LKPBJHKUSA-N 382.365 0.356 0 1 GCAF biogenic,in-vitro CC(C)(CO)CNc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205035598 QDIUCFPJGGWKQI-XGICHPGQSA-N 385.428 0.914 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LVOFJZQGGXXLIM-AWEZNQCLSA-N 386.341 0.611 0 1 GCAF CCC[C@@H]1O[C@H](CC(=O)O)C[C@]2(O)[C@@H](CO)c3cccc(O)c3C(=O)[C@@]12O 2356341902 ZOGSLPLAVARIJR-WHTRQGBUSA-N 380.393 0.559 0 1 GCAF Cc1ncc(COP(=O)(O)O)c(CNCCCC[C@H](N)C(=O)O)c1O 6389756 FIXMYVJXXYQYGI-LBPRGKRZSA-N 377.334 0.377 0 1 GCAF in-vitro O=C(C1CCNCC1)N1CCN2C(=O)N(CCc3cccs3)C(=O)[C@@H]2C1 25430833 UVYCHWZRLXQUGP-HNNXBMFYSA-N 376.482 0.765 0 1 GCAF biogenic CCCn1c(=O)n([C@@H]2CC[C@H](COC(C)=O)O2)c2nc(NC(C)=O)[nH]c(=O)c21 27108441 YXHMJAHIZJNKHX-NEPJUHHUSA-N 393.400 0.495 0 1 GCAF CCCn1c(=O)n([C@@H]2CC[C@H](CO)O2)c2nc(NC(=O)C(C)(C)C)[nH]c(=O)c21 27109001 HNSBLHZWZZPCPR-MNOVXSKESA-N 393.444 0.951 0 1 GCAF OC[C@@H]1O[C@H](n2cnc3c(Nc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O 36273179 SUFRPGTWZQQKIL-NFOTXUCKSA-N 377.788 0.835 0 1 GCAF O=C(OC[C@@H]1O[C@H](Oc2ccccc2CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1 95914505 HHSKNLJWHGXWPK-IPLXSBJHSA-N 390.388 0.222 0 1 GCAF biogenic,in-vitro CO[C@H]1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1 1772621753 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0.894 0 1 GCAF OC[C@H]1O[C@@H](Oc2ccc(O)cc2CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 238753289 LGJLOYKMPSDLGH-OUUBHVDSSA-N 392.404 0.062 0 1 GCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)O)N1 587836206 ZOBODWGQPKWUOT-TVTDYFPQSA-N 378.238 0.627 0 1 GCAF O=C(Nc1ccc(NC2=[N+]([O-])CCN2)cc1)c1ccc(NC2=[N+]([O-])CCN2)cc1 653728027 ISNKAQAIMDTMFK-UHFFFAOYSA-N 395.423 0.702 0 1 GCAF Cc1ccc(CN2C(=O)[C@H]3C[C@H](O)CN3C3(CN(Cc4ccncc4)C3)C2=O)o1 2356290521 VQTZBPQYCNTXGR-FUHWJXTLSA-N 396.447 0.542 0 1 GCAF COc1cc(O)c2c(=O)oc3c(c2c1)[C@](C)(O)C[C@H](OC)[C@@]31C[C@@H](O)C(=O)O1 2356389691 DXDVGVFRBGQXNB-CUWOSUSNSA-N 392.360 0.637 0 1 GCAF COc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 2356785031 RDBVQLRPLJFYBG-MJXUCMMTSA-N 387.396 0.059 0 1 GCAF Cc1ccc(CNC(=O)CC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)o1 169304955 GGFHYYNTJDLREJ-SQWLQELKSA-N 377.397 0.491 0 3 GCAF COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 95668762 UZFJFNKESOAZMD-IOASZLSFSA-N 383.242 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380.558 0.422 0 3 GCAF COc1nc(N)nc2c1c(-c1ccsc1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 103249424 ARAJTZOCMWTVKJ-SDBHATRESA-N 378.410 0.362 0 1 GCAF CN1CCC(N[C@@H]2[C@H](c3ccc(N4CCOCC4)nc3)C[C@@H](O)[C@@H]2O)CC1 2356319595 QKDMDDHUHYFWHO-CUDHKJQZSA-N 376.501 0.180 0 1 GCAF CN(C)Cc1cn([C@@H]2CO[C@H]3[C@H]2OC[C@H]3NC(=O)NCc2ccccc2)nn1 2356876226 ZIPMLYVXGLKRHW-TVFCKZIOSA-N 386.456 0.546 0 1 GCAF CC1(C)CNC(=O)[C@]2(CCCO2)CNC(C)(C)CNC(=O)[C@]2(CCCO2)CN1 5741509 YCZKKAACHGXNQZ-PMACEKPBSA-N 396.532 0.067 0 1 GCAF COc1cc(C[C@@]2(O)COC(=O)[C@@]2(O)Cc2ccc(O)c(OC)c2)ccc1O 14766712 RKDJNIXOFXZWST-UXHICEINSA-N 390.388 0.919 0 1 GCAF biogenic OC[C@@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 36272904 UBRRRMDHTZACMR-GKDNMFGBSA-N 385.424 0.483 0 1 GCAF OC[C@@H]1O[C@@H](n2cnc3c(Nc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O 36273180 SUFRPGTWZQQKIL-AYIJCJCZSA-N 377.788 0.835 0 1 GCAF CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1Cc1ccccn1 95880524 ODYKKOORKAWFSO-YAJHFMINSA-N 382.464 0.933 0 1 GCAF CC[C@@H](C)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)C=C[C@@](C)(O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 238743582 OPGJIRGRIDHFPI-UHTKSRHBSA-N 382.453 0.945 0 1 GCAF COc1cc([C@@H](O)[P@](=O)(O)CC[C@@H](N)C(=O)O)cc(F)c1OCC(=O)O 1772623872 CBQXGRKXMPLXLY-OTYXRUKQSA-N 395.276 0.361 0 1 GCAF O=C(O[C@H]1[C@H](O)[C@H](Oc2ccccc2CO)O[C@H](CO)[C@@H]1O)c1ccccc1 2356585632 WUOFKHTVWRRLNC-ZMIKWESLSA-N 390.388 0.222 0 1 GCAF CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H](CCN2CO)Oc2ccc(cc2)CCNC1=O 2356832560 IBMWDFIGAOQAHY-NBMRYCAZSA-N 375.469 0.661 0 1 GCAF CC(=O)OC[C@H]1O[C@H](n2ccc(=S)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 1556136 VOSWRYRYGCAHQU-ZZVYKPCYSA-N 386.382 0.230 0 1 GCAF CNC(=O)[C@@H]1CC(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)=NO1 26831917 HPVPIWVYPYQPHY-NHYWBVRUSA-N 378.360 0.526 0 1 GCAF C[C@H](CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 36272570 VIXRHETYMQEYNK-XGFPXAKYSA-N 385.424 0.653 0 1 GCAF CN(C)CC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccccc2F)O[C@@H]1CO 95906993 RKEDVRHSWVNUQX-BHYGNILZSA-N 381.448 0.418 0 1 GCAF C[C@H]1CN(c2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)C[C@H](C)O1 205048533 JHHARPPEXBKILV-MREFOSODSA-N 398.427 0.493 0 1 GCAF Cc1c(O)ccc2c1[C@](CS(=O)(=O)N(C)C)(C(F)(F)F)N[C@H](C(=O)O)C2 963521012 AIEATYRTZPOCKZ-IINYFYTJSA-N 396.387 0.949 0 1 GCAF COc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)CC2 1857771718 WIOZAIFDQBJHBM-BDHVOXNPSA-N 386.444 0.900 0 1 GCAF O=C1[C@@H]2C[C@H](O)CN2C2(CN(Cc3ccccc3)C2)C(=O)N1Cc1cccnc1 2356291515 WYGPRTUIGMCWFF-OALUTQOASA-N 392.459 0.640 0 1 GCAF CS(=O)(=O)c1ccc(OC[C@@H]2C[C@H](NCc3nccs3)[C@H](O)[C@@H]2O)cc1 2356294892 RWJUNVMMKBMPCH-WPUCRFQZSA-N 398.506 0.826 0 1 GCAF CN1[C@H](CCC(=O)N2CCC(O)CC2)CNC(=O)[C@@H]2[C@H]1CCN2CC1CC1 2356848103 PCPIMAYPPNIJRV-SUMDDJOVSA-N 378.517 0.033 0 1 GCAF COc1cccc(NC(=O)NC[C@@H]2O[C@H](CC(=O)N3CCCC3)[C@H](O)[C@@H]2O)c1 2356853833 RJOBNYLWCKRHCW-MXSMSXNCSA-N 393.440 0.318 0 1 GCAF CN1C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 95892323 GNSBZHYLXFLADR-OSAQELSMSA-N 398.437 0.913 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C[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 4381737 RHBYTRBWIACMDW-UWWQBHOKSA-N 384.436 0.774 0 1 GCAF CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(NC(=O)CO)n3)c(F)c2)C(=O)O1 28098579 IDAGFWOQXHEQQA-LBPRGKRZSA-N 391.359 0.404 0 1 GCAF CCCN(CCc1ccccc1)C(=O)[C@@H]1O[C@@H](C(=O)O)C[C@H](N)[C@H]1NC(C)=O 33821309 HFHYYLGLPNXPCS-BSDSXHPESA-N 391.468 0.542 0 1 GCAF in-vitro Nc1nc(Sc2ccccc2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 38445757 ICYRARAHDADHPZ-CGEWXTDFSA-N 375.410 0.171 0 1 GCAF Cc1ncc(C[n+]2csc(CCO)c2C)c(N[C@@H](CC(=O)O)C(=O)O)n1 238764792 JZBLLIOXZCQRKP-LBPRGKRZSA-O 381.434 0.365 0 1 GCAF CN1[C@H]2CCN(CC3CC3)[C@@H]2C(=O)NC[C@H]1CCC(=O)N1CCC(O)CC1 2356848101 PCPIMAYPPNIJRV-AYBZRNKSSA-N 378.517 0.033 0 1 GCAF COC(=O)CCCNC(=O)[C@H]1[C@@H](NC(=O)NC(C)C)CCN1C(=O)C=C(C)C 34258142 CAMILJFVGBKPHQ-WMLDXEAASA-N 396.488 0.699 0 1 GCAF biogenic NCc1cc(-c2nc3c(N4CCOCC4)nc(N4CCOCC4)nc3[nH]2)ccn1 146289603 FWDOTLLHHOPXEH-UHFFFAOYSA-N 396.455 0.547 0 1 GCAF COCc1cn(C[C@@H]2C[C@H](NCc3cn(C)c4ccccc34)[C@H](O)[C@H]2O)nn1 2356294769 RICBGTYILVSNIO-SIXJUCDHSA-N 385.468 0.816 0 1 GCAF O=C(NCC1CC1)c1nnc2n1CCN(C(=O)c1cccc3c1OCCO3)C2 206058934 AHUCNPHBBMFHKY-UHFFFAOYSA-N 383.408 0.845 0 3 GCAF CCOCCOCCOCCOCCOCCOCCOCCOCCO 12503749 CUDPPTPIUWYGFI-UHFFFAOYSA-N 398.493 0.131 0 1 GCAF in-vivo Cc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 20511163 GHFURCDSKAYEBV-QGZVFWFLSA-N 381.498 0.900 0 1 GCAF CO[C@@H]1C[C@@H]2C(=O)N3CCN(C(=O)c4ccc(N(C)C)cc4)C[C@H]3C(=O)N2C1 25415085 YKPXBRJQUKKJLG-ZACQAIPSSA-N 386.452 0.035 0 1 GCAF biogenic OC[C@H]1O[C@H](n2cnc3c(NCCc4ccsc4)ncnc32)[C@H](O)[C@@H]1O 49785056 ICWJJMYDWRZACR-VSBTWAGUSA-N 377.426 0.154 0 1 GCAF O=c1cc(N2CCNCC2)nc2n(CCN3CCOCC3)c3ccccc3n12 95591088 WKPGKQGFMCFOMH-UHFFFAOYSA-N 382.468 0.391 0 1 GCAF C[C@]12CC[C@]3(O)C[C@@]1(CC[C@H]1[C@@]24C[C@@H](O)C[C@@]1(C)C(=O)O4)C(=O)[C@]3(O)CO 95914248 RZZKIPVVWOBCSF-JWRAIORBSA-N 380.437 0.067 0 1 GCAF biogenic,in-vitro COc1ccc(/C=c2/[nH]/c(=C\C(=O)c3ccccc3)c(=O)[nH]c2=O)cc1OC 100295604 IIWASLRIFAPVKM-HDVIWIBHSA-N 378.384 0.573 0 1 GCAF O=C1N[C@H](SCCN2C(=O)c3ccccc3S2(=O)=O)N[C@H]2SCC[C@@H]12 618015600 ISOGVNSPWDSTOS-XEGUGMAKSA-N 399.519 0.647 0 1 GCAF CN1C(=O)[C@@]2(c3cc(F)ccc31)c1[nH]cnc1C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12 963211175 AYLXPQMGQOJMML-AUSJPIAWSA-N 395.394 0.527 0 1 GCAF COC(=O)Cc1ccc(N2CC[C@@H]3[C@@H]2[C@H]2C(=O)C[C@H]3[C@]3(O)CC(=O)O[C@@H]23)cc1 2356409429 IYURTELCXHYLTK-JHDFVRIHSA-N 385.416 0.862 0 1 GCAF C[C@H](c1ccccc1)N1C(=O)[C@H]2CN(C(=O)COCC(=O)O)CCN2C1=O 25430424 WCCIEHHFYFBQHQ-TZMCWYRMSA-N 375.381 0.324 0 1 GCAF biogenic O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1OCCCN1CCN(c2ncccn2)CC1 28474103 YNKFXGPBJSWKHI-ZYGGUILKSA-N 383.452 0.727 0 1 GCAF O=C(Nc1ccc(F)cc1)N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO 95675122 TXBZUYXXZRGZTP-BRWVUGGUSA-N 393.415 0.881 0 1 GCAF CC(=O)[C@@H]1CC[C@H]2[C@@]34CO[C@@]5(O)[C@@H](OC(=O)[C@]25[C@@H]1O)[C@@H]3C(C)(C)CC[C@@H]4O 137822617 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0 1 GCAF Cc1cn([C@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O 6521343 QROQOVCVQLXMAB-ARFHVFGLSA-N 387.371 0.764 0 1 GCAF CNc1nc(Cl)nc2c1ncn2C[C@@H](COC(C)=O)COP(=O)(O)O 13864021 GRNDXUPUOYPZJB-QMMMGPOBSA-N 393.724 0.810 0 1 GCAF O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@](=O)(O)C(F)(F)F)O2)cc1F 29235928 GZDLQMAGLXOIPV-RRKCRQDMSA-N 378.171 0.046 0 1 GCAF CCOC(=O)c1cc(C)n(CN(CCO)Cn2nc(C(=O)OCC)cc2C)n1 31909333 WKXVJLYMWZRXIF-UHFFFAOYSA-N 393.444 0.959 0 1 GCAF CCc1ccc(Cc2cccc3c2O[C@@]2(C3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 45287823 XHVBEQBQLLYBDS-PXIKZMAHSA-N 386.444 0.945 0 1 GCAF CCOC(=O)C[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC 98084066 VZWUEEMBFVEBOP-NOVZSBSESA-N 388.461 0.299 0 1 GCAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587203507 KFDPCROJZHEKKH-CQSZACIVSA-N 395.485 0.892 0 1 GCAF N=c1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)cc(N)[nH]1 1857599294 ULOXRVUIRNGIOC-CVEARBPZSA-N 382.468 0.254 0 1 GCAF NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 1050389 NLFLKHLVEJCFTP-FHYCKABGSA-N 375.406 0.080 0 1 GCAF O=C(O)CN1C(=O)[C@]2(CC(=O)N(Cc3ncco3)C2=O)c2cc(Cl)ccc21 14976756 VEEDEOIGYMFLIJ-KRWDZBQOSA-N 389.751 0.956 0 1 GCAF CC1(C)[C@@H](O)C[C@@H]2OC(=O)[C@@]34C[C@@H](CC[C@H]3[C@]23CO[C@@H](O)[C@H]13)[C@](C)(O)C4=O 95919106 ACGPXEVDUYGLNT-BYYOXAGTSA-N 380.437 0.390 0 1 GCAF biogenic,in-vitro CO[C@@H]1C[C@@]23[C@H]4C[C@@H](C(C)(C)C)[C@]25[C@H](OC(=O)[C@@H]5OC)O[C@@]3(C(=O)O1)C(=O)O4 101121273 NNTPCQLOJCHHSL-MNWJXUIPSA-N 396.392 0.537 0 1 GCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@@H](O)[C@H](O)[C@H](O)CO)N1 587835400 VYHYWVKGPJTVOV-QLDQQLHCSA-N 378.238 0.629 0 1 GCAF O=C(O)[C@H]1O[C@H](O[C@@H]2c3cc4ccccc4cc3C=C[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356668643 XDINSFLXNJMABQ-GIPXKHMCSA-N 388.372 0.177 0 1 GCAF N[C@@H](Cc1ccc(O)cc1)c1nnc([C@H](CO)NC(=O)C2CCNCC2)o1 13478080 YQXKVAFUDBNPQI-GJZGRUSLSA-N 375.429 0.167 0 3 GCAF Cc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC(C)C)cc1 199236700 KHAQKUNKTGCXGX-GOSISDBHSA-N 381.498 0.882 0 3 GCAF CC1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)c3ccccc3)[C@@H](O)[C@H]2O)CC1 12603616 GHSKGMDGAKPIHP-OGWHTMIXSA-N 376.453 0.554 0 1 GCAF biogenic Cn1c(=O)c2c(nc3n2CCCN3CCOCc2ccc(F)cc2)n(C)c1=O 28872455 RZFDPPLQOOVIRV-UHFFFAOYSA-N 387.415 1.000 0 1 GCAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@@H](NC(=O)NC4CCCCC4)CO[C@@H]32)nn1 36366564 LLYKKEZKGOFBLU-GBJTYRQASA-N 379.417 0.404 0 1 GCAF biogenic C[C@H](O)[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@](C)(F)[C@@H]1O 142642713 VFRXBXKZHQNJHE-INZZDJSYSA-N 377.372 0.863 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587218169 FKMQWMGMEJFJNY-IUCAKERBSA-N 396.331 0.224 0 1 GCAF CCO[C@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587529499 BAZPXBVJQFOLEQ-NFBUACBFSA-N 376.405 0.953 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3cccs3)[C@@H](O)[C@H]2O1 2356290245 MNQGQIVEWBGAKO-KSMPYDNASA-N 399.469 0.308 0 1 GCAF CCCNC(=O)N[C@@H]1C[C@H](COc2ccc(S(C)(=O)=O)cc2)[C@H](O)[C@@H]1O 2356319798 GRKZTAVOWNKSQB-BQDHKBFISA-N 386.470 0.288 0 1 GCAF COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc2cc(C)c(C(C)=O)c(O)c12 2356592518 AVYRWRRYPRHDJL-ZQNRLITLSA-N 378.377 0.883 0 1 GCAF C[C@@H](Nc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 13834741 BCZIBYCVFGZOEW-JBNUXVMWSA-N 386.412 0.193 0 1 GCAF CNC1=NS(=O)(=O)N=C1NCCSCc1ccc(CN(C)C)s1 26185909 PEMUZVQYUCIQPX-UHFFFAOYSA-N 375.545 0.907 0 1 GCAF CC(=O)N1CCN(C(=O)Cc2cc(F)cc(F)c2)[C@@H](CN2CC[C@H](O)C2)C1 26285129 WLZKXQIQNDDGFA-ROUUACIJSA-N 381.423 0.633 0 1 GCAF CC1(C)O[C@H]2[C@@H]3O[C@H](c4ccccc4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 28763954 SIACVZOVKIDUON-SSZWKKLZSA-N 387.410 0.567 0 1 GCAF COC(=O)CSc1nnc(Cc2csc(NC(C)=O)n2)n1NC(C)=O 28816937 PVCCOICYYRDEPR-UHFFFAOYSA-N 384.443 0.639 0 1 GCAF COC(=O)N[C@@H](CCc1c(C)nc2n(C)c3cc[nH]c3c(=O)n12)C(=O)OC 238733026 FEBAHQNLYXGZLY-JTQLQIEISA-N 375.385 0.653 0 1 GCAF 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388.457 0.117 0 1 GCAF COc1cc([C@@H](O)[C@@H](CO)Oc2ccc(C[C@@H](O)CO)cc2OC)ccc1O 14435527 PRWONPKNTLADRL-JSNMRZPZSA-N 394.420 0.778 0 1 GCAF CNC(=O)c1cn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)nn1 28102842 ZAJMJAPCZDTFBW-NSHDSACASA-N 376.348 0.227 0 1 GCAF COc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 37858371 QBEKDHJCXXJSMG-VHSXEESVSA-N 377.420 0.533 0 1 GCAF COCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Cc1ccccn1)C2 95668694 NZDFGTNNLPRLOE-GHTZIAJQSA-N 395.459 0.838 0 1 GCAF CCCN1[C@@H]2c3ccc(-c4cncnc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC 95881777 XIODHUUFDRNNKZ-XYVMCAHJSA-N 384.436 0.852 0 1 GCAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)O[C@H]([C@@H](O)CO)[C@H]1OCC 587485898 KILZSTGLZNHZSZ-KNIMUDFMSA-N 380.393 0.732 0 1 GCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@@H](O)[C@H](O)[C@H](O)CO)N1 587835972 YVPNUHKCOCXZAY-GLLUOWGLSA-N 378.238 0.629 0 1 GCAF CCCCOC(=O)[C@]1(O)C[C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](O1)[C@H]2O 2356520138 BGDMQEYSPNKXHV-TVEAVKIZSA-N 380.393 0.793 0 1 GCAF COc1ccc(C=CC(=O)O[C@@H]2[C@H](C)O[C@H](O)[C@@H](OC(C)=O)[C@H]2O)cc1OC 2356746328 ONEXBDOPCBANRU-CXIYXYOISA-N 396.392 0.659 0 1 GCAF OC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4CCOc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 36272005 ZYNGQOBUZLONDV-MFVMWPSOSA-N 399.407 0.374 0 1 GCAF COCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Cc3cccnc3)[C@H](CO)O2)nn1 95907037 CPRKXMBGMLHECS-KSZLIROESA-N 389.456 0.477 0 1 GCAF OCCn1c2cnccc2c2cnc(Nc3ccc(N4CCNCC4)nn3)nc21 169706868 OAIZQCSGYYKHDR-UHFFFAOYSA-N 391.439 0.915 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587218170 FKMQWMGMEJFJNY-RKDXNWHRSA-N 396.331 0.224 0 1 GCAF CC(=O)NC[C@H]1CC(c2cc(F)c(N3CCN(C(=O)CO)CC3)c(F)c2)=NO1 3988467 WPARTNAOUNGZRW-CYBMUJFWSA-N 396.394 0.235 0 1 GCAF CC(=O)OCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)C(C)(C)C 5857066 MILJVOHYMMUVQM-AWEZNQCLSA-N 388.461 0.148 0 1 GCAF in-vivo CCNC(=O)C(=O)[C@@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1 27327189 FLFBCKMXGDATMM-KGLIPLIRSA-N 384.477 0.043 0 1 GCAF 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NC(=O)CS[C@@H]1NN[C@@H]2N[C@H]3c4ccccc4CC4(CCCC4)[C@@H]3C(=O)N12 605751552 UHWULBYMDWHSMQ-UOVPBQLFSA-N 387.509 0.786 0 1 GCAF N[C@@]1(C(=O)O)[C@H](OCc2cc(Cl)ccc2Cl)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O 1772590758 SGCNJDYPITVHEN-AFJGUQMISA-N 376.192 0.982 0 1 GCAF CS(=O)(=O)C1(c2cc(-c3c[nH]c(=N)cc3F)nc(N3CCOCC3)n2)CC1 1857638740 DUGIGJLFRHHMFE-UHFFFAOYSA-N 393.444 0.961 0 1 GCAF CC(=O)O[C@@H]1C[C@@](C)(O)[C@@]2(OC=O)CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2 2356397016 DHSGPJSOXBUHNM-BVPBIZIASA-N 382.365 0.241 0 1 GCAF CC(=O)OC[C@@H]1O[C@H](n2ccc(=S)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 14766445 VOSWRYRYGCAHQU-GHYVTOPFSA-N 386.382 0.230 0 1 GCAF biogenic CC1(C)S[C@H]2[C@@H](NC(=O)Cc3ccccc3)C(=O)N2[C@@H]1C(=O)OCCO 29473721 YDNBZHBVMKLIKT-LZWOXQAQSA-N 378.450 0.312 0 1 GCAF CC(C)(C)c1ocnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2[N+](=O)[O-])[nH]c1=O 34986973 BTEHROTYKZSUHW-QKPPEBSVSA-N 382.376 0.915 0 1 GCAF C[C@@H]1CO[C@@H]2C[C@@]34[C@@H]5C[C@@H](C(C)(C)C)[C@@]36[C@@H](OC(=O)[C@@H]6O)O[C@]4(C(=O)O5)[C@@]12O 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587219401 KXQZHKOMMDSBCD-WCQYABFASA-N 392.412 0.654 0 1 GCAF CC(=O)OCON[N+](=O)N1CCC[C@H]1COC(=O)c1ccccc1OC(C)=O 647523650 PCIQBBTZDLODMD-AWEZNQCLSA-N 396.376 0.884 0 1 GCAF O=C(C[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@H](O)[C@H]1O)N1CCOCC1 2356820692 FNKZDBJNHXEWPB-MVJTYMMSSA-N 384.860 0.168 0 1 GCAF CCn1c(=O)[nH]n(C/C(C)=C\c2c[n+](Cc3ccc4c(c3)OCO4)c(N)[nH]2)c1=O 205717800 SEXLNTGVKIFYQM-SDQBBNPISA-O 399.431 0.436 0 3 GCAF C=C(CO)C(=O)O[C@H]1C[C@@H](C)C2=CC(=O)[C@@](C)(C=C3OC(=O)C(CO)=C31)O2 15158941 CMARMATYSBAUEH-KLSHDWIQSA-N 376.361 0.458 0 1 GCAF biogenic OC[C@@H]1O[C@H](n2cnc3c(NCC4=CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 36271954 HPDZGAGMDATLJH-MCNSXXNHSA-N 395.419 0.489 0 1 GCAF NC(=O)Nc1csc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1 84672223 NAYJTZVNVKVDKP-VMMWWAARSA-N 396.421 0.084 0 1 GCAF COCCN1CCn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(O)c2C1=O 95596377 COLOTDLDOINPDL-UHFFFAOYSA-N 389.383 0.725 0 1 GCAF O=C(C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1)NC1CCC1 95903669 RQCGLZCALDVTRY-USXIJHARSA-N 398.456 0.847 0 1 GCAF CCC1=C2CC[C@H]3C(=O)NC(=O)[C@H]3[C@H]2[C@@]2(C)C(=O)N(CC3CC3)C(=O)N2C1=O 8679845 YAGDBAZELPKHAT-VGWCWKRBSA-N 385.420 0.965 0 1 GCAF O=C1N[C@@H](CC2CCCCC2)C(=O)N2CCN(C(=O)N3CCOCC3)C[C@@H]12 25412128 LQNHOBCBTRBBOW-HOTGVXAUSA-N 378.473 0.420 0 1 GCAF biogenic C/C=C/CCCC/C=C/C(=O)N[C@@H](C[C@@]1(O)C(=O)[C@H]2O[C@H]2[C@@H]2O[C@@H]21)C(=O)OC 28968394 DJQAYXQSWDXHIP-OIVAWTBGSA-N 393.436 0.576 0 1 GCAF CCOC(=O)[P@](=O)(OC)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O 29488663 BPJUTMQOQJASTN-PMMHVHRZSA-N 392.301 0.506 0 1 GCAF COCC(=O)NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCN(c2ccccn2)CC1 43527421 XWGNORHEZGBSJN-CEXWTWQISA-N 387.528 0.677 0 1 GCAF biogenic O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@H]1c1ccccn1 45375334 FHGPIBDBYLIJQI-GVDBMIGSSA-N 389.477 0.887 0 1 GCAF CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2ccccc2C1 64235790 LAADEPLURXEMDZ-ZZCKCESHSA-N 388.512 0.653 0 1 GCAF COc1cc(C(O)(O)[C@H](CO)Oc2ccc(/C=C/CO)cc2OC)ccc1O 70455444 VXAKPNOOKYUAKD-RTLBZRNLSA-N 392.404 0.992 0 1 GCAF biogenic,in-vitro COC[C@H]1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O 95918860 URACXFCMOSKOEL-SCWUFUGZSA-N 394.464 0.902 0 1 GCAF biogenic,in-vitro CCOC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC 98084061 IJMHYLUDNWVNQH-BTVLNHBSSA-N 386.445 0.068 0 1 GCAF C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)C=C[C@@](C)(O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 238783363 PNXYHQNGWRDOHT-MQZLVKNTSA-N 380.437 0.865 0 1 GCAF O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 299838034 QBHXBGGOGZELFZ-XGUBFFRZSA-N 380.422 0.944 0 1 GCAF O=C1[C@H]2C[C@@H](O)CN2C2(CN(C3CCOCC3)C2)C(=O)N1Cc1ccccc1 2356519834 QVHKGRKUIKMYAV-QZTJIDSGSA-N 385.464 0.224 0 1 GCAF COCCNC(=O)[C@H]1CCC[C@@H](NC(=O)c2cc(C)on2)CN(C)C(=O)C1 2356731693 WDDCMHNJTNBDMV-UONOGXRCSA-N 380.445 0.493 0 1 GCAF CC(=O)N(C)c1ccc([C@H](C(=O)N(C)C)[C@H](N)C(=O)N2CC[C@H](F)C2)cc1 14963936 FPTCYYNPHDOALV-XIRDDKMYSA-N 378.448 0.739 0 1 GCAF Nc1nc(SC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 32068196 PDBXBADUAMLWQV-SDBHATRESA-N 381.458 0.445 0 1 GCAF COc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 38279493 YCXFTBIFSDBEDV-ADAARDCZSA-N 388.416 0.443 0 1 GCAF CO[C@H]1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O 96174792 IKPSHISOVRXADL-DBCWFSNCSA-N 387.432 0.389 0 1 GCAF NS(=O)(=O)c1cnccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 96932806 KGVVJMBTDWUHCS-UHFFFAOYSA-N 376.438 0.780 0 1 GCAF COc1ccc2c(c1)cc(C(=O)NS(=O)(=O)N1CCOCC1)n2CC(=O)O 98208132 BNCOTZAAIISTRX-UHFFFAOYSA-N 397.409 0.041 0 1 GCAF in-vitro Cn1nccc1-c1cc2c(N[C@@H]3C[C@@H](O)[C@@H](O)C3(C)C)c(C(N)=O)cnn2c1 146147832 JWLUCBOIYBBDCB-BFYDXBDKSA-N 384.440 0.766 0 1 GCAF C[C@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccncc2)C1=O 1857557119 CCNGKRPAGWYJMX-QGZVFWFLSA-N 388.405 0.379 0 1 GCAF COc1cc2c(cc1OC)C(c1ccc(N)cc1)=Nn1c(n[nH]c(=O)c1=O)C2 27205914 BFTCLIXUGWWYCP-UHFFFAOYSA-N 379.376 0.736 0 1 GCAF NC(=O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H]1COCC1=O 29571229 DDVJZEWXRRWRJL-NWDGAFQWSA-N 389.433 0.349 0 1 GCAF O=C(N[C@@H]1CCNC1)c1cn2ccnc2c(N2CCN(c3ccccn3)CC2)n1 40567006 CWRMTGCEJKRBNV-OAHLLOKOSA-N 392.467 0.543 0 1 GCAF CC[C@@H]1CN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2OC)CCN1 64453460 CEJXJPIDMRXQSQ-SNVBAGLBSA-N 377.420 0.548 0 1 GCAF OC[C@@H]1O[C@@H](c2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@H](O)[C@H](O)[C@@H]1O 85807771 ISYJYFWUXHMCFY-JDHMNUCUSA-N 390.388 0.489 0 1 GCAF in-man C[C@@H]1[C@H](O)[C@H](O)[C@@]2(CO)C(CO)=CCC[C@@H]2[C@@]12C[C@@H](c1ccoc1)OC2=O 95919023 ZEXDLMSVDFUXBS-BXOMMVTISA-N 378.421 0.933 0 1 GCAF biogenic,in-vitro CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@@](C)(OC(C)=O)C[C@H]2O)OC1=O 157022615 UJOLIVKCUHQIRS-ZYDBFUAKSA-N 396.392 0.631 0 1 GCAF CN(C)CCCN1CCN(CCn2c(O)c3n(c2=O)Cc2ccccc2C3)CC1 169718933 IVGGNKQPQYRCBT-UHFFFAOYSA-N 399.539 0.877 0 1 GCAF C/C=C(/C)C(=O)O[C@H]1CCN2C[C@@H]3[C@H](O)[C@@H](CN4C(=O)[C@@H](O)CC[C@H]34)[C@@H]2C1 238754960 ATRRNWLGGVBVEO-SWXLVILASA-N 378.469 0.301 0 1 GCAF COC[C@H](O)[C@H](OC)[C@H](OC)[C@H](OC)[C@H]1NCCc2c1c(C(C)C)nn2C 962913688 RCOIWYOUNVHOIH-FLTXXLLZSA-N 385.505 0.783 0 1 GCAF O=P(O)(O)C(O)(CCCN=c1ncc2ccccc2[nH]1)P(=O)(O)O 1857652861 WWZXMGKDFQLXLD-UHFFFAOYSA-N 377.230 0.245 0 1 GCAF COc1cc2c(cc1O)[C@]1(O)C(=O)c3c(ccc4c3OCO4)[C@@]1(O)N(C)CC2 2356735734 IDMQSJIRQBRWHI-PMACEKPBSA-N 385.372 0.847 0 1 GCAF COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@H]2c3ccccc3[C@H]1C2(C(C)=O)C(=O)OC 2356844899 NZMOJRGKTYJORD-KBUPBQIOSA-N 388.372 0.777 0 1 GCAF COC(=O)[C@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)N1CCOCC1 25410749 NEDLYZOQUWHAJE-OAHLLOKOSA-N 376.413 0.830 0 1 GCAF biogenic N[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)C[C@@H]1O 27629832 SHJAJFTVTOTKHI-QWRGUYRKSA-N 391.384 0.188 0 1 GCAF O=C(N[C@H]1CCCC[C@@H]1O)n1c(=O)n(CCN2CCOCC2)c2ccccc21 40957037 GDOISIIWVAYJII-YJBOKZPZSA-N 388.468 0.996 0 1 GCAF O=C(O)C(=O)N[C@H](Cc1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)O 45373625 DNGSYQKIFPNAEQ-CQSZACIVSA-N 393.373 0.651 0 1 GCAF C[C@H](CCc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 48998670 WUTZGWRERPWMAI-HQAMDYDRSA-N 399.451 0.871 0 1 GCAF C[C@@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O 1857567245 FNEIPUDBAAQDAU-SFHVURJKSA-N 387.417 0.984 0 1 GCAF Cc1nc2c(o1)-c1c(O)cc(C)c3c1=C(C2=O)C(=O)[C@]1(O)C=3O[C@H](C)C1(C)C 2356717967 HYEFHQJWCGRMCN-ZEDNOMKYSA-N 381.384 0.878 0 1 GCAF CC(C)NC(=O)NC[C@@H]1OC[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@@H]1O 2356737649 NIMFJIHKWMARSX-JYJNAYRXSA-N 385.486 0.016 0 1 GCAF CC(C)NC(=O)N[C@@H]1CCN(C(=O)CC(C)(C)C)[C@@H]1C(=O)N(C)CC(N)=O 25170794 CNJNALGFQLMBOC-DOMZBBRYSA-N 383.493 0.043 0 1 GCAF biogenic CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](c3ccccc3)N(C)N)[C@@H]2SC1 29394047 HUDGSTYEPRRYDA-FFSVYQOJSA-N 376.438 0.292 0 1 GCAF Nc1nc2cc([C@H]3c4[nH]cnc4C[C@H]4C(=O)N5CCC[C@H]5C(=O)N43)cc(O)c2o1 963205414 OMBSJQXGZZLBHE-HUBLWGQQSA-N 394.391 0.686 0 1 GCAF CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H](NS(=O)(=O)c3cccs3)CCN2C1=O 2356305711 YVTFNRYKRHMCFB-AVGNSLFASA-N 385.511 0.931 0 1 GCAF Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@H](NCc3ccccn3)[C@H]2O)cc1 2356444220 OVASXNYRPJEXEX-OKZBNKHCSA-N 377.466 0.586 0 1 GCAF CCN1CCC[C@@H]1CNC(=O)c1cc(N(C)S(N)(=O)=O)c(C)cc1OC 40466151 CEFBFXCEPYASMH-CYBMUJFWSA-N 384.502 0.857 0 1 GCAF COCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1cccnc1)C2 95668305 CBATXIMUUSJAFM-MJGOQNOKSA-N 381.432 0.910 0 1 GCAF CC(=O)OCC1=C2[C@@H](OC(C)=O)C[C@@]3(C)O[C@]2(C[C@](C)(O)CCC3=O)OC1=O 101129549 CIQHYIPVUYZISN-CJODITQLSA-N 396.392 0.714 0 1 GCAF CCN1C[C@@]2(C)[C@H]3C[C@H]4[C@@H]1[C@]3(CC[C@H]2O)[C@@H]1C[C@@H]2CC[C@@]14[C@H](O)[C@]2(O)CO 136187536 KEXOMXFRKYKFSR-UNIHHUBBSA-N 377.525 0.988 0 1 GCAF NS(=O)(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1 299840237 WERYFCMHCDFDSE-UHFFFAOYSA-N 397.390 0.581 0 1 GCAF COc1cc2nc(C[C@@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2cc1C 587218982 JHFXSWKFBPKBME-ZJUUUORDSA-N 378.385 0.184 0 1 GCAF CCCNC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O 2356494659 LJMIROMOIQLMMP-AMVBZWJASA-N 391.415 0.239 0 1 GCAF CC(C)C(=O)O[C@@H]1[C@H](O)O[C@H](CO)[C@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C 2356506683 NVEWKQZGZJWFKH-RRLOCTAFSA-N 390.429 0.399 0 1 GCAF NCCCC[C@H](N)c1nnc([C@H](CCC(=O)O)NC(=O)C2CCNCC2)o1 13478083 ARXLHJZBGROADR-STQMWFEESA-N 382.465 0.220 0 3 GCAF CSc1nc2c(Nc3ccccc3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 13643687 MPSYCXGMJNXUHL-XNIJJKJLSA-N 389.437 0.903 0 1 GCAF CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1C(=O)NC1CCCC1 95864465 INIFVMHZEWEVMX-KJWYOANISA-N 388.468 0.552 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4C[C@@H]5CC[C@@H]4C5)nc(Cl)nc32)[C@H](O)[C@@H]1O 101212203 AEOCPQUDPJKEQV-HUEHNEAKSA-N 395.847 0.692 0 1 GCAF CNC(=O)c1c(NC(=O)c2nc([C@H](C)O)cnc2Nc2cncnc2)cnn1C 169701810 PMQJLPMASZTUIL-VIFPVBQESA-N 397.399 0.409 0 1 GCAF C[C@H](O)[C@@]1(O)CC[C@]2(O)[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@H]3[C@@H](O)[C@]2(O)[C@@H]1C 238743524 ZLZZQGBYLLCLRA-BRKPFECWSA-N 382.497 0.479 0 1 GCAF O=C1CSC[C@H](c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)N1 587040824 CLBXSWZTBRRWCB-CYBMUJFWSA-N 382.467 0.488 0 1 GCAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1cc(S(N)(=O)=O)cn1C)O2 587411272 YVMLKHGPZCQLDN-MRXNPFEDSA-N 379.394 0.508 0 1 GCAF CC(=O)OC[C@H]1O[C@@H](NS(=O)(=O)c2ccc(O)cc2)C=C[C@H]1OC(C)=O 1857559366 OQMLCDBLTFXKNA-BZUAXINKSA-N 385.394 0.446 0 1 GCAF Cc1c(N2CC[C@@H](CN)C2)c(F)cc2c(=O)n(CCN)c(=O)n(C3CC3)c12 1911582860 BUDLPNNHCWMZNU-LBPRGKRZSA-N 375.448 0.689 0 1 GCAF COCCN(CC(=O)NC[C@H]1CCCO1)C(=O)CCC(=O)Nc1ccccn1 4848189 NKGCIONVAVTNPB-OAHLLOKOSA-N 392.456 0.571 0 3 GCAF OCCNc1ncnc2c1ncn2[C@H]1CN(Cc2ccncc2)C[C@@H](CO)O1 61897048 TZNZSSXHGJLKDK-LSDHHAIUSA-N 385.428 0.017 0 3 GCAF Nc1nc2c(ncn2C[C@H](CO)C[C@H](c2ccccc2)P(=O)(O)O)c(=O)[nH]1 1633680 LDONEGMWBLHASZ-ZYHUDNBSSA-N 393.340 0.619 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@H]1O 27412100 UBRRRMDHTZACMR-PSFFPDNBSA-N 385.424 0.483 0 1 GCAF O=C(C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCc1ccncc1 95866465 GKLMDXAFJCNXRK-SQNIBIBYSA-N 391.468 0.539 0 1 GCAF NC(=O)/C=C\C(C[SH](=O)=O)=C(\Nc1c(C=O)cc2ccccn12)C(=O)O 98208952 ARSFRLAHCNFFCE-DXSVQLQZSA-N 377.378 0.155 0 1 GCAF in-vitro CN(c1ncnc2[nH]ccc12)[C@H]1C[C@@H](NS(=O)(=O)N2C[C@@H]3C[C@H](C2)O3)C1 261100603 GGQSYXVCIYAHBR-MPZDIEGVSA-N 378.458 0.233 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@H](C)C2 299854268 WYYNBVSGNUKDAC-FEEANGKWSA-N 394.420 0.130 0 1 GCAF Cc1c(Cl)ccc2nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c12 587219289 NTWIVDFKDNPKLD-MWLCHTKSSA-N 382.804 0.829 0 1 GCAF COC(=O)[C@H](c1ccccc1)N1C[C@@H]2O[C@@H](C(=O)N3CCCCC3)[C@@H](O2)C1=O 1772630833 VMQBRFFRHXKGAG-YYIAUSFCSA-N 388.420 0.866 0 1 GCAF CN(C)C(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccc(F)cc1 95881473 BBMUHFCQMOUBDR-IAAVTCLWSA-N 399.422 0.880 0 1 GCAF CC(C)N(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1S(C)(=O)=O)C(=O)CN(C)C 95895831 KFSCSKZDNNPRDI-SCTDSRPQSA-N 397.541 0.574 0 1 GCAF CC[C@H](C)C(=O)OC[C@H]1O[C@@H](OC(=O)CC(C)C)[C@@H](OC(C)=O)[C@H](O)[C@H]1O 2356564583 UZMBWZSOJRNYIZ-VRKUDAMGSA-N 390.429 0.543 0 1 GCAF C=CCO[C@@H]1C[C@H]2C(=O)N3CCN(C(=O)C4CCCCC4)C[C@H]3C(=O)N2C1 4277728 KSTWJXNMJYNXKZ-IKGGRYGDSA-N 375.469 0.792 0 1 GCAF biogenic COC(=O)C1=C(C(=O)OC)[C@H]2Nc3ccccc3[C@@]23C[C@@H](C(=O)OC)NC3=N1 15952328 DNGPMQFGLGNMBH-SZEPBZDZSA-N 385.376 0.266 0 1 GCAF Cn1c(CC(=O)Nc2ccc(F)c(CO)c2)nc(N2CCOCC2)cc1=O 115074319 UEWAZZPAYBGVAD-UHFFFAOYSA-N 376.388 0.430 0 1 GCAF COC(=O)N1CC[C@]23c4c5ccc(OC)c4O[C@H]2[C@@H](OC)[C@H](O)C(=O)[C@H]3[C@H]1C5 1857633443 OOOPEXYKLINWIG-ZGIYEPQTSA-N 389.404 0.666 0 1 GCAF N[C@@H](CO)c1nnc([C@H](Cc2ccc(O)cc2)NC(=O)C2CCNCC2)o1 13478076 XDRGMSKSSQBLPY-GJZGRUSLSA-N 375.429 0.167 0 3 GCAF CC(=O)NC[C@H]1OCC[C@H]1SC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1C 26829510 MUNORZIPMOOWCG-IOJHDDLYSA-N 384.454 0.167 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(N[C@H]4CCCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 48998200 DXHLGWYQWDVEAA-NXDVGTENSA-N 397.435 0.927 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)OCCO3 587218988 JIFLFRROHQNGFZ-DTWKUNHWSA-N 392.368 0.158 0 1 GCAF COCc1cn(C[C@@H]2C[C@H](NCc3cccc4c3OCO4)[C@@H](O)[C@H]2O)nn1 2356294545 PVWLPWQJQFGQHE-ZFZWDLNGSA-N 376.413 0.053 0 1 GCAF CN(C)S(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2c[nH]nc2CC3)cc1 14945780 YYFZCHCLQYUAND-UHFFFAOYSA-N 386.437 0.710 0 1 GCAF CCCC[P@](=O)(O)CNC(=O)[C@H](CC(C)C)NC(=O)CC[C@H](N)C(=O)O 28566990 SCVMMQICKDRNMD-STQMWFEESA-N 393.421 0.854 0 1 GCAF CS(=O)(=O)N(CCCO)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 28954083 PPZNXMFRWJRGBP-UHFFFAOYSA-N 382.225 0.672 0 1 GCAF O=C(C[C@H]1CC[C@@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCc1ccncn1 95907402 MFWHVJQQCSLWHQ-BRWVUGGUSA-N 385.424 0.216 0 1 GCAF CC(C)(CNC(=O)N1CCOCC1)NC[C@H](O)COC(=O)c1ccccc1F 25970025 YUDVGSONQUSBKH-AWEZNQCLSA-N 397.447 0.753 0 1 GCAF O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](CO)O2)cc1-c1sccc1Br 27524674 WTPCEGWZXOSLSS-LPEHRKFASA-N 389.227 0.668 0 1 GCAF CN1C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 95892324 GNSBZHYLXFLADR-WHOFXGATSA-N 398.437 0.913 0 1 GCAF N[C@@H](N=O)c1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2c1 587224324 YVUYLZCMMUXBNS-YACGNSKGSA-N 392.372 0.111 0 1 GCAF O=C(c1cnn2c(=O)cc(-c3ccc4c(c3)OCCO4)[nH]c12)N1CCOCC1 653663524 JHPPWJDJAUUGBH-UHFFFAOYSA-N 382.376 0.933 0 1 GCAF C[C@@H]1[C@H](O)C[C@]23COC(=O)C2=CC[C@H](O)[C@@H]3[C@]1(C)CCC1=C[C@@H](O)OC1=O 2356293357 GMGAHTBITASRRA-GQPIHTMSSA-N 378.421 0.826 0 1 GCAF CN1CCC(N[C@@H]2[C@H](c3ccc(N4CCOCC4)nc3)C[C@H](O)[C@H]2O)CC1 2356319597 QKDMDDHUHYFWHO-RAUXBKROSA-N 376.501 0.180 0 1 GCAF CS[C@@H]1C(=O)N(C)[C@@H](Cc2ccc(OC[C@H](O)C(C)(C)O)cc2)C(=O)N1C 2356728264 DXKZHOFMXXPYED-RLFYNMQTSA-N 396.509 0.728 0 1 GCAF CN(C)CCN1CCN([C@H]2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1 96021099 PAGJAWSWJAINIA-SFHVURJKSA-N 384.521 0.519 0 3 GCAF CC(C)[C@@H](NC(=O)CNC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)O 33887015 HAJNTYBQBCQKOX-QGZVFWFLSA-N 376.365 0.513 0 1 GCAF biogenic O=C(O)CC[C@H](NC(=O)CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)C(=O)O 45353797 MYJGHTFSWZIKQL-QMMMGPOBSA-N 396.791 0.409 0 1 GCAF C[C@@H](Nc1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1 49031166 DBOSFRMMZGTYFX-GMLNSNLASA-N 386.412 0.193 0 1 GCAF O=C(N[C@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1cccc(F)c1 95675534 BVKYPNZNGBYIEE-IXDOHACOSA-N 380.416 0.713 0 1 GCAF COc1ccc(CNC(=O)C[C@H]2C=C[C@@H](NC(=O)CN(C)C)[C@H](CO)O2)cc1 95907055 VWYZNXAXUASMBN-KURKYZTESA-N 391.468 0.064 0 1 GCAF N[C@H]1CCCC[C@H]1Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205017531 VRVXDUAIFMNCRZ-MLWHTIFUSA-N 397.443 0.561 0 1 GCAF CSC[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1772597621 XASUMYOOVQGACX-IDTAVKCVSA-N 399.404 0.671 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NCc3ccccc3)[C@@H](O)[C@H]2O1)NC1CC1 2356573052 YHJHGKCEZPNPLS-APWQULEDSA-N 389.452 0.440 0 1 GCAF COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC(C)(C)CO)cc1OC 11840285 SJDZJLAPRGTODW-HNNXBMFYSA-N 393.484 0.529 0 1 GCAF C[C@@H](NC(=O)c1ccc(C(=N)N)cc1)C(=O)N1CCC(OCC(=O)O)CC1 13730685 BHOGTSLQMNCJHA-LLVKDONJSA-N 376.413 0.181 0 1 GCAF C[C@H](NC(=O)c1ccc(C(=N)NO)cc1)C(=O)N1CCC(OCC(=O)O)CC1 13757284 IGVCMKIDNIJWLV-NSHDSACASA-N 392.412 0.201 0 1 GCAF COC(=O)C[C@@H](CN(C)C)NC(=O)C[C@H]1CC(c2ccc(C(=N)N)cc2)=NO1 13763292 MVYHKVSHUPHBLC-LSDHHAIUSA-N 389.456 0.463 0 1 GCAF C=CCO[C@@H]1CCN2C(=O)[C@H]3CN(C(=O)c4ccc(OC)cc4)CCN3C(=O)[C@@H]12 25416547 SXKOUHKPTGEEKB-KZNAEPCWSA-N 399.447 0.534 0 1 GCAF biogenic NCCCCCCNC(=O)[C@@H]1C[C@@H]2C(=O)NCC(=O)N2[C@@H]1c1ccc(O)cc1 36376851 DIDREILVALGCQH-JFIYKMOQSA-N 388.468 0.416 0 1 GCAF O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccccc2)[C@H](CO)O1)NCc1ccncn1 95676107 JMJYAJMXQVZTFW-BZSNNMDCSA-N 382.420 0.597 0 1 GCAF CCc1c(O)c(=O)ccn1CCOCCOCCOC(=O)CCC(=O)CN 1772615867 YZFNQLRMFRCESN-UHFFFAOYSA-N 384.429 0.001 0 1 GCAF Cc1ncnc2c1c1occc1n2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O 1857575594 NXRYESXFVXSBHJ-IDTAVKCVSA-N 385.269 0.214 0 1 GCAF CCCCN1C(=O)[C@H]2C[C@H](O)CN2C2(CN(Cc3ccc(F)cc3)C2)C1=O 2356289958 FDCIPLHJWBPYED-DLBZAZTESA-N 375.444 0.984 0 1 GCAF CC=C1CC[C@](C)(OC(C)=O)C(=O)OC[C@]2(O)CCN3CC[C@H](OC1=O)[C@@H]32 2356422255 KRKINVRNNSVEHD-QGWWYQLQSA-N 381.425 0.712 0 1 GCAF CC(=O)[C@@H]1C[C@H](O)[C@@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356589365 GLPORXYCNWDFPS-OXSVGAIHSA-N 380.481 0.687 0 1 GCAF COCC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccccc2OC)O[C@@H]1CO 95906784 SKKODOPUHLUDOU-YQQAZPJKSA-N 378.425 0.149 0 3 GCAF CSCC(=O)N[C@@H]1CCN2C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]2C1 25214720 SMRDDDIGEHSBLB-SNPRPXQTSA-N 377.466 0.272 0 1 GCAF biogenic COc1cccc(OC)c1OC(=O)[C@@H](CCS(C)(=O)=O)N1CCOCC1 40465262 HECFDIRGHOSITC-CYBMUJFWSA-N 387.454 0.745 0 1 GCAF O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)CO)CC3)c(F)cc2c1=O 45316159 WYMWTXNFSBNQQK-UHFFFAOYSA-N 389.383 0.815 0 1 GCAF CCNc1nc(NCCCCNC(=O)C(N)=O)nc2cc(OC)c(OC)cc12 82118582 GWSLGBDBNGHJSN-UHFFFAOYSA-N 390.444 0.872 0 1 GCAF CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 95795042 CWJBQADCDQSGJH-OUCADQQQSA-N 389.271 0.380 0 1 GCAF O=C(C[C@@H]1CC[C@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCc1ccncn1 95907400 MFWHVJQQCSLWHQ-YESZJQIVSA-N 385.424 0.216 0 1 GCAF CCCCC[C@H](C[C@H](O)NO)[C@H](O)N[C@H](C(C)C)[C@@H](O)N1CCC[C@H]1CO 253643332 AZKGCXCHQXZSHC-BPCAWRKVSA-N 391.553 0.578 0 1 GCAF N#CN1CC[C@@H](N2CCCN(c3cccc(N4CCOCC4)c3)S2(=O)=O)C1 1857539178 KQVJIZOTYSEVMC-GOSISDBHSA-N 391.497 0.835 0 1 GCAF CC1(C)S[C@@H]2[C@H](NC(=O)C34C[C@H]5C[C@@H](CC(N)(C5)C3)C4)C(=O)N2[C@@H]1C(=O)O 2356700574 AZGNYRUNQKZSJQ-ZXHZKAFHSA-N 393.509 0.916 0 1 GCAF O=C(C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCc1ccncc1 95796842 GKLMDXAFJCNXRK-KURKYZTESA-N 391.468 0.539 0 1 GCAF CC(C)(O)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O 100735213 APBNDXHFQWSYOS-KSYZUNFVSA-N 376.405 0.218 0 1 GCAF in-vitro C1CN(CC[C@@]23O[C@]4(CCN5CCNCC5)[C@H]5[C@H]6C[C@H]([C@@H]7[C@@H]6[C@@H]4[C@@H]72)[C@H]53)CCN1 195355969 MKEJOUUDTKGSMG-XIVXJZHKSA-N 384.568 0.473 0 1 GCAF CN[C@@H](C)C(=O)N[C@H](C(=O)N1c2ncccc2C[C@H]1CNC(=O)OC)C(C)C 209055841 ZDWCGZXOBQMPMU-QEJZJMRPSA-N 391.472 0.444 0 1 GCAF COc1ncccc1CNC[C@@H]1O[C@@H]2C[C@H](CC(=O)NC3CC3)O[C@@H]2[C@H]1O 2356288731 JRXQDJKLIFHKMM-YONAWACDSA-N 377.441 0.134 0 1 GCAF Cc1ccc(CN2C(=O)[C@H]3C[C@H](O)CN3C3(CN(Cc4ccoc4)C3)C2=O)o1 2356290149 KJYVEAMDTBFFAE-DOTOQJQBSA-N 385.420 0.740 0 1 GCAF COc1cc2c(cc1C(=O)O[C@@H]1C[C@H](O)[C@@H](O)[C@H](CO)O1)C=CC(C)(C)O2 2356642890 YJUJLRYCXFHYKX-KKBVYLPWSA-N 380.393 0.865 0 1 GCAF CCc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(Cl)cc12 2356743756 ATIPNNBWCXUITL-LMLQULGWSA-N 386.784 0.188 0 1 GCAF C[C@H](C[C@H](O)CCCC[C@H](O)CC(=O)O)O[C@@H]1OC(C)(C)[C@@H](O)C[C@H]1O 2356832290 JUMHDYYUBXYUMT-VJDHNPKBSA-N 378.462 0.785 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 13649561 ZYNGQOBUZLONDV-SSFGXONLSA-N 399.407 0.374 0 1 GCAF CN1CCN(CCNC(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)CC1 21649372 NNSJLYZIDJATJO-UHFFFAOYSA-N 393.469 0.021 0 1 GCAF CNc1ncc2c(n1)N1CCC[C@H]1CN(c1c[nH]c3ncn(C)c(=O)c13)C2=O 224344044 JBERTYKZZDQGNS-JTQLQIEISA-N 380.412 0.723 0 1 GCAF N[C@@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587218838 IPSAIUIPDFSBJA-IUCAKERBSA-N 386.767 0.659 0 1 GCAF Cc1c(C(=O)N2CC(N3CC[C@@H](F)C3)C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857597795 YMLHGAXNMAQZRZ-GFCCVEGCSA-N 385.403 0.385 0 1 GCAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NCc3ccccc3)[C@@H](O)[C@H]2O1 2356642442 HMPZMUQSRWOSEE-APWQULEDSA-N 391.468 0.686 0 1 GCAF COC1=C2C=CO[C]2Nc2c1ccc(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)c2OC 2356809482 MZOYEYGOBMSOLD-FWVSIQSCSA-N 392.384 0.718 0 1 GCAF CC(C)CN1C(=S)N(Cc2ccc(F)cc2)[C@@H]2[C@H](O)[C@H](O)C[C@H](C(N)=O)[C@H]21 2356839592 LWBYOPAUICBXBR-JZAWBGDQSA-N 395.500 0.848 0 1 GCAF CNCC(=O)N[C@H]1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@H]2C1 25204464 AOLIHUXNAQHIOH-GXFFZTMASA-N 395.257 0.710 0 1 GCAF biogenic CC(C)c1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccccc1 95575550 KOUKLJGYBYZYJQ-YRHQEJDOSA-N 378.425 0.303 0 1 GCAF Cc1nc(S(=O)(=O)N2CCN(Cc3ccc(OCCO)cc3)CC2)cn1C 95784153 LFPWTSJUBDAJJR-UHFFFAOYSA-N 394.497 0.606 0 1 GCAF CCOC(=O)C[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC 98084062 IJMHYLUDNWVNQH-UODLWVEVSA-N 386.445 0.068 0 1 GCAF COC(=O)[C@H](C)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@]3(C)[C@@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O 238768303 WJTAQUCBJLHAPR-IHDKKWCOSA-N 390.388 0.283 0 1 GCAF COCCc1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCC2CCOCC2)n1 2356288771 KQKLOKVTZWJTCP-WJFTUGDTSA-N 379.501 0.582 0 1 GCAF Cc1c(O)cc(CCc2ccccc2)cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356680858 WTRYYJMNPMGQFI-VIYGXFRKSA-N 390.432 0.665 0 1 GCAF CC[C@H](C)[C@H](NC(=O)[C@@H]1O[C@@H]1C(=O)NCC(C)C)C(=O)N1CCC[C@@H]1C(=O)O 28635651 HXRQFZARHUWLAH-AIEDFZFUSA-N 397.472 0.133 0 1 GCAF COc1cc2c(C(=O)NCCN3CCOCC3)cn(C)c(=O)c2cc1OC 82230252 XBGHPMAEONCLRF-UHFFFAOYSA-N 375.425 0.618 0 1 GCAF Cc1ccc(S(=O)(=O)NC[C@@H](CN2CCOCC2)OP(=O)(O)O)cc1 89456192 GFMBLHQCFVJLBD-ZDUSSCGKSA-N 394.386 0.083 0 1 GCAF N#Cc1c(N)ncnc1N1CCC(N)(C(=O)N[C@@H](CCO)c2ccccc2)CC1 219319600 AOIBZFDZTOAVLN-INIZCTEOSA-N 395.467 0.468 0 1 GCAF CC(C)[C@@H](O)Cc1ccc2c(N3CCOCC3)nc(-c3cnc(=N)[nH]c3)nn12 474602561 BQBPIAJZHHFQJV-INIZCTEOSA-N 383.456 0.995 0 1 GCAF Cc1cc(Cl)cc2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c12 587217478 CVNKGLIEEOLTJU-ZJUUUORDSA-N 382.804 0.829 0 1 GCAF CCOC(=O)c1nnn(Cc2ccc3c(O)nc(O)nc3n2)c1C(=O)OCC 587557634 LHUTUYIRKXTJNV-UHFFFAOYSA-N 388.340 0.429 0 1 GCAF CC(C)C(=O)N1C[C@H]2COCCN2C2(CN(C(=O)CC(C)(C)CC(=O)O)C2)C1 2356289135 QGLNAGAZDROKDI-HNNXBMFYSA-N 395.500 0.657 0 1 GCAF O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1sccc1Br 13604659 WTPCEGWZXOSLSS-IVZWLZJFSA-N 389.227 0.668 0 1 GCAF C[C@@]12C[C@H](O)C[C@@]3(OC1=O)[C@@H]2CC[C@@]12C[C@@](O)(CC[C@@]13C)[C@@](O)(CO)C2=O 14409806 RZZKIPVVWOBCSF-AYOKYSQPSA-N 380.437 0.067 0 1 GCAF biogenic CCCCC[C@H](C[C@H](O)NO)[C@@H](O)N[C@@H](C(C)C)[C@@H](O)N1CCC[C@@H]1CO 27428481 AZKGCXCHQXZSHC-RCFCFVIZSA-N 391.553 0.578 0 1 GCAF CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H](O)[C@@H]1O 40422009 AOOYJVBMRQULKJ-USXUVBGUSA-N 396.835 0.199 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)nc(Nc4ccccc4)nc32)[C@H](O)[C@@H]1O 48995419 ZLCOZSQRGIVSFD-SCFUHWHPSA-N 398.423 0.756 0 1 GCAF CC(=O)N1[C@@H]2c3cccc(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccc1F 95881868 JQQHJAYFWCMULB-XWYPRVOQSA-N 399.422 0.814 0 1 GCAF O=C1CN(c2ccc(C(=O)NC3CCN(CC(F)(F)F)CC3)cn2)CCN1 299852557 UQDSRIDQXXEUCF-UHFFFAOYSA-N 385.390 0.774 0 1 GCAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)c1 586937403 ZSQZEPYFLXJJTO-UHFFFAOYSA-N 383.455 0.892 0 1 GCAF C[C@H](O)[C@H](O)[C@@H](O)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349790 FXXVUEZALYZDCP-AZLBVHPRSA-N 392.379 0.724 0 1 GCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3cccnc3OC)[C@@H](O)[C@H]2O1 2356289442 VVYQEXGDEOMVDS-DTJSUFBGSA-N 379.457 0.382 0 1 GCAF CC1=C[C@@H]2O[C@@]3(CO[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CCC[C@@]3(C)[C@]2(C)CC1 2356801069 RHSWUVSQGOLHGB-LLOTZMHSSA-N 398.496 0.877 0 1 GCAF O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2O)[C@H](O)[C@H](O)[C@@H]1O)c1ccccc1 14859096 GSOBLLOKFLTRQA-VYIWNADRSA-N 392.360 0.141 0 1 GCAF NC(=O)c1nnn2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2 66073778 JTUHVHNHQBNXAC-SECBINFHSA-N 382.346 0.097 0 1 GCAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](N)[C@@H](N3CCCS3(=O)=O)CN1CC2 169723096 CCTPKHROVIWMRG-PMPSAXMXSA-N 381.498 0.738 0 1 GCAF CC1=C([C@H](C)CO)C[C@@]2(O)[C@]1(O)[C@]13OC(=O)C[C@@]2(C)[C@]1(O)CC[C@@H](C)[C@H]3O 257601051 WIFHAKQJYHVTQK-RDIGMTQFSA-N 382.453 0.025 0 1 GCAF endogenous,in-man Cc1ccc(CN2C(=O)[C@H]3C[C@@H](O)CN3C3(CN(Cc4ccoc4)C3)C2=O)o1 2356290150 KJYVEAMDTBFFAE-NVXWUHKLSA-N 385.420 0.740 0 1 GCAF COc1cc(O)c2c(c1)[C@H](O)[C@H](C[C@H](O)[C@H](O)[C@@]1(O)CCC[C@@H](C)O1)OC2=O 2356722275 BLRCKXAFWRAWRL-GBQNHRQWSA-N 398.408 0.363 0 1 GCAF CN(C)CCNC(=O)C1=CC=C(NCCN(C)C)[C@H]2C(=O)c3ccccc3N[C@@H]12 27548682 KTGLOPGTNOFLNR-UXHICEINSA-N 397.523 0.933 0 1 GCAF CCC(CC)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C(=O)NC2CC2)[C@@H](O)[C@@H]1O 29413540 CLBHMSACXZWALZ-UYAYXHRUSA-N 390.444 0.325 0 1 GCAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc4c(c3)CCO4)[C@H]2SC1 40488897 YWNGHNYMFUOGEL-IIYDPXPESA-N 389.433 0.380 0 1 GCAF CC(C)(C)c1nnc(Cc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)s1 45339052 RAIIYMQOHRWNKI-CMZRPVNOSA-N 394.493 0.941 0 1 GCAF O=C(CCN1CCCCC1)NCC[C@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1 95903738 HDMJUGRTWFBQSU-KZNAEPCWSA-N 381.517 0.803 0 1 GCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NC4CCNCC4)nc23)N1 205044572 LZKMQJPBAAWNKE-GHXNOFRVSA-N 383.416 0.043 0 1 GCAF OC[C@@H]1O[C@@H](Oc2ccc(/C=C\c3cc(O)cc(O)c3)cc2)[C@@H](O)[C@H](O)[C@H]1O 256114803 RUOKEYJFAJITAG-LGWPBNEDSA-N 390.388 0.447 0 1 GCAF endogenous,in-man Cn1nc(C(=O)O)c(I)c1-c1nc2c(O)ncnc2[nH]1 587181695 ZTSWPIQDUWSTME-UHFFFAOYSA-N 386.109 0.762 0 1 GCAF O=C(O)C[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 1642796 XCSNMNASSJFQBX-VHSXEESVSA-N 392.286 0.026 0 1 GCAF N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1CC(F)(F)F)CN1CCCCC1=O 40835593 YMKXMDJCLXUHNZ-NWDGAFQWSA-N 378.395 0.386 0 1 GCAF COC(=O)c1cn(CC(=O)N2CCC3(CC2)C(=O)NCN3c2ccccc2)nn1 95783906 TYNCHCHJWNOEFD-UHFFFAOYSA-N 398.423 0.020 0 1 GCAF C=CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C\c2ccc(OC)cc2)[nH]c1=O 113068863 SFTQLNYNFJPDTR-VUTUTYQISA-N 378.432 0.916 0 1 GCAF C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 198017440 UBJGMINEBGZOBD-YYTFBVJBSA-N 395.437 0.758 0 1 GCAF OC[C@H]1O[C@@H](Oc2ccc(/C=C/c3ccc(O)cc3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O 238765541 VRXCSRLJRVQFIM-IZXOFTTASA-N 390.388 0.447 0 1 GCAF NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(-[n+]3ccccc3)cc2)s1 299844624 LLBCQGONVAHWRO-UHFFFAOYSA-N 398.471 0.263 0 1 GCAF COC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ncccc4C)c(C)cn23)n(C)c1=O 621431481 LWKFOHHJCKHJJJ-LBPRGKRZSA-N 396.407 0.884 0 1 GCAF CN1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1 1772638619 WEFWBLURNZATBQ-FQEVSTJZSA-N 396.499 0.809 0 1 GCAF CN1CCC(N2CC[C@@H]3[C@H]2C(=O)NC[C@@H](CCC(=O)N2CCCC2)N3C)CC1 2356824232 GTSNOFFXHCIJBD-GGPKGHCWSA-N 391.560 0.356 0 1 GCAF CC(=O)N1CCN(C(=O)C2CCCCC2)[C@H](C(=O)N[C@H]2CCCNC2=O)C1 25429492 NMJSNHBIBKYOMI-HOTGVXAUSA-N 378.473 0.021 0 1 GCAF biogenic O=C(O)/C=C(\C(=O)O)[C@@H]1[C@@H]2NC(=O)C[C@H]3OCC[C@H]4CCN5CC[C@@H]1[C@@H]5[C@H]4[C@@H]23 169290759 ZPUCRSNLEAWVOV-VNBCKHAMSA-N 390.436 0.332 0 1 GCAF COc1cc(OC)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c1 587220171 MWLUMOMKEDPNHW-NXEZZACHSA-N 394.384 0.404 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3ccc(F)cc3)[C@H](O)[C@H]2O1)NC1CC1 2356289573 XIRGVVKUYVRVHV-HITLURFISA-N 393.415 0.902 0 1 GCAF CN1CC[C@@]23C(=O)C[C@@]4(O)C(=CCOC5=CC(=O)N(c6c(O)cccc62)[C@@H]3[C@H]54)C1 2356413966 NDIBCEQFECLLFG-WSWWRLHASA-N 394.427 0.855 0 1 GCAF Cc1ccccc1CNC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCOCC3)O[C@@H]2[C@H]1O 2356487791 MFYSCIATMOUMOB-SACAXFFCSA-N 390.480 0.619 0 1 GCAF CCCCNC(=O)/C=C(\C)[C@@H](O)[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O 40866611 AJYSKCVETJNECU-AWSIJGSSSA-N 399.528 0.910 0 1 GCAF CNC[C@H]1Oc2c(NS(C)(=O)=O)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C 95835304 LGRRTQSZVWVNJQ-TYNCELHUSA-N 385.486 0.498 0 1 GCAF CN(C)CC(=O)N[C@H]1C=C[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO 95907500 VCIKDIOFMNBODN-IKGGRYGDSA-N 395.887 0.709 0 1 GCAF O=C1CNCCN1c1cc2c(-c3cccc(N4CCNCC4)n3)n[nH]c2cn1 205261095 YOLDSXOVILIAPC-UHFFFAOYSA-N 378.440 0.366 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@@H](C)C2 238743702 UQYNGSPDPASNLN-UACMMVSUSA-N 380.437 0.037 0 1 GCAF Cc1c(Cl)ccc2nc(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c12 587219290 NTWIVDFKDNPKLD-ONGXEEELSA-N 382.804 0.829 0 1 GCAF C[C@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)N3CCOCC3)CCN21 2356303027 JXIKPIWZQGJEJG-TZIWHRDSSA-N 388.512 0.692 0 1 GCAF CN1[C@H](CCC(=O)NCc2cccnc2)CNC(=O)[C@H]2[C@H]1CCN2CC1CC1 2356808892 ALCASKFEYQNXPX-QWFCFKBJSA-N 385.512 0.761 0 1 GCAF O=C(NCc1ccncn1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2CC1CC1 95881635 QFGPTMNHKNKAJU-BEKAIBRUSA-N 395.463 0.328 0 3 GCAF CC(=O)c1ccc(C(=O)N[C@@H](CCCCN)C(=O)N2C[C@@H](N)C[C@@H](N)C2)cc1 43206143 RTSGZJWSKVMODX-KSZLIROESA-N 389.500 0.004 0 1 GCAF COc1ccc(CNc2ncnc3c2ncn3[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 49032503 LZNPQLJNXKVMMY-DRRHNWJESA-N 387.396 0.059 0 1 GCAF Cn1c(=O)c2c(nc([S@@](=O)CCc3ccc(Cl)cc3)n2C)n(C)c1=O 95563224 RXRCBGJUIBQYOP-RUZDIDTESA-N 380.857 0.974 0 1 GCAF CN(C)CC(=O)N[C@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO 95907366 RJRBPHDBUORXJM-XYJFISCASA-N 379.505 0.912 0 1 GCAF O=C(C[C@H]1CC[C@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCc1ccncn1 95907403 MFWHVJQQCSLWHQ-IKGGRYGDSA-N 385.424 0.216 0 1 GCAF O=c1cc(N2C[C@@H]3C[C@H]2CO3)nc2n1CC[C@@H](C(F)(F)F)N2CC1(O)CC1 210848387 OOHHSKDUFZROKV-SRVKXCTJSA-N 386.374 0.887 0 1 GCAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(O)nc(N)nc2[nH]1 586965101 KNFMPTOTHNBIEZ-UHFFFAOYSA-N 386.445 1.098 0 1 GCAF O=C(O)CNCCNCc1nc2cc(I)cnc2[nH]1 587229297 UXPFFOQCEYFIGO-UHFFFAOYSA-N 375.170 0.326 0 1 GCAF CCN(CC)C(=O)[C@@H]1S[C@@H]2N[C@H](CSc3nc(N)n[nH]3)NC(=O)[C@@H]2[C@@H]1C 618014434 OKBBIUCWXFSXIJ-IMICNGSGSA-N 399.546 0.087 0 1 GCAF C[C@H]1CCC[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C2=O 1857570565 QUTUODGLIAAMJE-APPDUMDISA-N 394.453 0.773 0 1 GCAF CC=CC=C[C@@H]1Cc2cc(O[C@@H]3O[C@H](CO)[C@H](OC)[C@@H](O)[C@@H]3O)cc(O)c2O1 2356819607 FDEFVNRVFBOZML-LBJWLHIWSA-N 394.420 0.661 0 1 GCAF CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CCN(C)CC1)C(C)(C)C 13537118 JNMVKWZGRSFVRI-HZPDHXFCSA-N 384.521 0.945 0 1 GCAF COc1ccc(C2(C(=O)O)CCCCC2)cc1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 36242720 JAEZFGMEYUZIIP-YYWYGQEZSA-N 396.436 0.497 0 1 GCAF COc1cc(Cc2cnc(N)nc2N)cc(OCCCS(=O)(=O)O)c1OC 45230243 WNEZDGQRUYUQOA-UHFFFAOYSA-N 398.441 0.906 0 1 GCAF CCNc1nc(N(C)CCN(C)C(=O)C(N)=O)nc2cc(OC)c(OC)cc12 82118238 NHMDNGKWGHYVDR-UHFFFAOYSA-N 390.444 0.459 0 1 GCAF COc1ccc(-c2cn3c(=O)c4ncn([C@H]5CO[C@@H](CO)O5)c4nc3[nH]2)cc1 101906899 NHHQBXQGWQEFMX-ZIAGYGMSSA-N 383.364 0.912 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc3ncccc3c2[nH]1 587220099 MOIOTACDEGKAEB-MFKMUULPSA-N 385.380 0.935 0 1 GCAF C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1C[C@H](N)C1)CC2 1772645391 YOPZKHFULRIPPD-UBHSHLNASA-N 382.472 0.593 0 1 GCAF CC(=O)[C@@H]1C[C@H]1C1=C(C)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356409405 IBNSTGIITWSRAW-CNGZKZFVSA-N 384.469 0.533 0 1 GCAF O=C(CCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccccn2)CC1 2460789 KDRXQCHEGSOMMW-UHFFFAOYSA-N 385.449 0.885 0 1 GCAF C[C@@H](Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1 49031172 DBOSFRMMZGTYFX-JBNUXVMWSA-N 386.412 0.193 0 1 GCAF COc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C(=N)N)c2)cc1OC 95564791 HQZPFXBTOHGJRH-UHFFFAOYSA-N 392.437 0.905 0 1 GCAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(N)ccnc3[nH]2)[C@@H](C)O)cc1 586934304 FOQMMCMUTOSRCQ-NOZJJQNGSA-N 377.426 0.949 0 1 GCAF COC(=O)c1cc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2cn1 586935151 FODCNSANTYTWQP-UHFFFAOYSA-N 389.393 0.175 0 1 GCAF CN1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1 1772636490 WEFWBLURNZATBQ-HXUWFJFHSA-N 396.499 0.809 0 1 GCAF Cc1ccc(CN2C(=O)[C@H]3C[C@@H](O)CN3C3(CN(Cc4ccncc4)C3)C2=O)o1 2356290522 VQTZBPQYCNTXGR-SJLPKXTDSA-N 396.447 0.542 0 1 GCAF CS(=O)(=O)NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCN(C2=CC=C[CH]N2)CC1 2356870873 DBIVJRWEEYDFKQ-FGTMMUONSA-N 394.565 0.026 0 1 GCAF CN(C(=O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 15628629 QJYRGYNBEBEPBW-GBXSZLQWSA-N 381.410 0.370 0 1 GCAF COC(=O)[C@H](C)[C@H]1OC(=O)C=C2[C@@H]1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)[C@H]4O[C@H]4C[C@@]2(C)[C@@H]13 238752714 QXRKSZDADXUMJR-GYXYUEEXSA-N 392.404 0.363 0 1 GCAF CO[C@@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)[C@H](C)NC(=O)CC=C[C@H]1C 299813844 RUSMFTAJZNEMBJ-CAEXGNQWSA-N 398.456 0.329 0 1 GCAF O=C(O)C(=O)Nc1ccc(CNC(=O)[C@H](c2ccccc2)S(=O)(=O)O)cc1 473091499 ZATNZUNMZUYLSH-AWEZNQCLSA-N 392.389 0.955 0 1 GCAF CC(C)Oc1ccc2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2c1 587219404 KXQZHKOMMDSBCD-YPMHNXCESA-N 392.412 0.654 0 1 GCAF CC[C@H](C)c1cc(O)cc(O)c1O[C@H]1O[C@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]1O 2356535544 CKKRFEDAIIVHNY-FJFRIMFCSA-N 386.397 0.361 0 1 GCAF COc1cc2c(cc1O)[C@]1(O)C(=O)c3c(ccc4c3OCO4)[C@]1(O)N(C)CC2 2356735735 IDMQSJIRQBRWHI-VQTJNVASSA-N 385.372 0.847 0 1 GCAF CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)[C@@H]1O 33983847 BXIVMLSVUJVOQG-INIZCTEOSA-N 375.473 0.525 0 1 GCAF CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H]1OC[C@@H]2n1nnnc1Sc1ncccn1 36364841 PSBVYGXVVYMRON-ZRUFSTJUSA-N 379.402 0.068 0 1 GCAF biogenic NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 113490889 YTVFDUBYOHFAKS-ROUUACIJSA-N 393.443 0.960 0 1 GCAF CC(C)C[C@H](NC(=O)c1ccc(N2CC(O)C2)c(OCC2CC2)n1)C(N)=O 207732600 LMIXPXQDAORZPD-HNNXBMFYSA-N 376.457 0.681 0 1 GCAF CC(=O)[C@@H]1[C@H](O)[C@@H](O)[C@]2(O)[C@]3(O)CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255252499 OFRHDDLUFVBVKA-MADYFFEASA-N 382.497 0.767 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc3ncccc3c2[nH]1)C(=O)O 587220555 NLCUBWAUCUWSJE-GXFFZTMASA-N 385.380 0.415 0 1 GCAF O=C(O)CNC(=O)c1c(O)c2c(n(Cc3nc4ccccc4o3)c1=O)COC2 1857573043 AOIAKTDISZJQNS-UHFFFAOYSA-N 385.332 0.588 0 1 GCAF C[C@@H]1C(=O)O[C@H]2C3=C(O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CCC[C@@]3(C)CC[C@@H]12 2356601002 GOVDYISAWRKFQB-YRMFNZERSA-N 398.452 0.219 0 1 GCAF CC(C)[C@H](NC(=O)[C@H](C)O)C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O)C(C)C)C(C)C 2356791184 ILGZHNBKJDGUCP-RFQIPJPRSA-N 388.461 0.301 0 1 GCAF Nc1nc(N)c2ncn(C[C@H](CO)C[C@H](c3ccccc3)P(=O)(O)O)c2n1 1633684 KAQNXSYMGQYOGG-ZYHUDNBSSA-N 392.356 0.908 0 1 GCAF N=C1NC[C@@H](C[C@@H](NC(=O)c2c[nH]c3cc(Br)ccc23)C(=O)O)N1 15151334 UISROLYEXAVQEQ-PRHODGIISA-N 394.229 1.000 0 1 GCAF biogenic O=C(NC1CCCCC1)N[C@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO 95678442 RNIDAHWWXILMTD-IXDOHACOSA-N 381.473 0.552 0 1 GCAF Cc1c(Cl)ccc2nc(C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c12 587220208 QPJGQRINXXALDP-GXSJLCMTSA-N 382.804 0.829 0 1 GCAF Clc1cccc(-c2nc(=N[C@@H]3[C@H]4COC[C@H]43)[nH]c(=NC3[C@H]4COC[C@H]34)[nH]2)n1 1857774843 CBYBEVCADOLNTG-VTLCSEFTSA-N 386.843 0.544 0 1 GCAF O=C(N[C@@H]1CCN2C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]2C1)c1ccco1 2356305311 UMWAXZIZSKKAAT-VNQPRFMTSA-N 383.404 0.816 0 1 GCAF c1cnc(O[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2nnnc2Sc2ncccn2)nc1 2356628680 BDUBKGQCYMBJKR-WISYIIOYSA-N 386.397 0.191 0 1 GCAF O=C(C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NC1CCCCC1 95676150 NIFMHKNMYGHVIX-FGTMMUONSA-N 397.516 0.182 0 1 GCAF CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc4c(c3)OCO4)C(=O)N2[C@H]1C(=O)O 198823431 OJRFCVKRBOKGRG-OZTPJHRESA-N 393.421 0.047 0 1 GCAF O=C1[C@@H]2C[C@H](O)CN2C2(CN(Cc3cccnc3)C2)C(=O)N1Cc1ccccc1 2356345753 AHUSDWJRGKFUMC-OALUTQOASA-N 392.459 0.640 0 1 GCAF COC(=O)c1ncn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)n1 28020234 YPLWLUSEAZIPCN-NSHDSACASA-N 377.332 0.654 0 1 GCAF CCCCCCC(=O)O[C@H]1O[C@@H](CO)[C@@H](O)[C@H]2OC[C@H](C(=O)O)CO[C@H]12 35457066 WTWRXXXNMXJOQP-IAZGGTMCSA-N 376.402 0.063 0 1 GCAF C[C@@H]1CO[C@@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@]4(C(=O)O5)[C@@]12O 169360471 ODJBPMBBULFPKZ-XVQBLFDUSA-N 394.420 0.133 0 1 GCAF O=C(O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 299838033 QBHXBGGOGZELFZ-LJISPDSOSA-N 380.422 0.944 0 1 GCAF CC(C)=CCc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356506359 JXJVEFKMRYWWHW-MTEHYEEQSA-N 392.404 0.480 0 1 GCAF CCN(CCN1CCCC1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 15080160 BWAKLWILYYABFE-LJQANCHMSA-N 394.560 0.892 0 3 GCAF Cc1cccc(C)c1NC(=O)c1csc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)n1 61906098 TWBMANOKDMVZMO-DZQJYWQESA-N 394.449 0.527 0 3 GCAF OC[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@H]1O 27332030 QNQVVNSRYWTXJV-XNWPKKHHSA-N 399.451 0.873 0 1 GCAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O 36273187 YKLISMZONDWGDU-WXIDQOIMSA-N 385.424 0.481 0 1 GCAF CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(C(=O)OC4)[C@H](O)C[C@]13C)[C@H]2O 95911271 PUJWFVBVNFXCHZ-MCAWZYBOSA-N 376.405 0.074 0 1 GCAF biogenic,in-vitro C[C@@H]1CO[C@@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]36[C@H](OC(=O)[C@@H]6O)O[C@]4(C(=O)O5)[C@@]12O 101121431 ODJBPMBBULFPKZ-DJZSUGTFSA-N 394.420 0.133 0 1 GCAF C[C@H](CF)Oc1cc(C(=O)NC2(CC(N)=O)CS(=O)(=O)C2)ncc1C1CC1 149255250 NPIAKGYVHUCRPU-SNVBAGLBSA-N 399.444 0.468 0 1 GCAF COC(=O)C1=C2Nc3ccccc3[C@@]23[C@H](O)CN2CC[C@@H]4O[C@@H](O)C[C@]4(C1)[C@H]23 238777949 XGQIQGXMAMKNLB-XQMBYAHQSA-N 384.432 0.723 0 1 GCAF COc1ccc(CN2C(=O)[C@@H]3C[C@H](O)CN3C3(CN(C4CCC4)C3)C2=O)cc1 2356290570 WSSLYTYEZXNGOR-WMZOPIPTSA-N 385.464 0.606 0 1 GCAF CC1(C)S[C@@H]2[C@@H](NC(=O)[C@@H](N)c3ccc4c(c3)OCO4)C(=O)N2[C@@H]1C(=O)O 27331632 OJRFCVKRBOKGRG-UUIJZJDISA-N 393.421 0.047 0 1 GCAF C[C@H]1COc2c(N3CCO[C@H](CN)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23 36399680 XFECWQXKZQMXOX-VHSXEESVSA-N 377.372 0.956 0 1 GCAF COC(=O)Cn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@@H](C(C)C)N2 82224230 IHNXNFKUNPEYOZ-AWEZNQCLSA-N 388.424 0.951 0 1 GCAF CC(C)N(C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1S(C)(=O)=O)C(=O)CN(C)C 95895830 KFSCSKZDNNPRDI-JENIJYKNSA-N 397.541 0.574 0 1 GCAF CN(C)CC(=O)N[C@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO 95907371 RJRBPHDBUORXJM-RYRKJORJSA-N 379.505 0.912 0 1 GCAF COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C)nc3scnn23)n1 103191276 DRRSGMCGBCLJNO-UHFFFAOYSA-N 399.414 0.417 0 1 GCAF COc1ccc(F)c(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c1 113068498 CRTGKNVQLSXBFO-SRKDFGFSSA-N 384.411 0.889 0 1 GCAF C[C@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccccn2)C1=O 1857574284 YBOXDYNVUOQZKI-QGZVFWFLSA-N 388.405 0.379 0 1 GCAF O=C(c1cccc2c1OCCO2)N1CCn2c(nnc2C(=O)N2CCOCC2)C1 206052878 COHWFLGVEJOGPR-UHFFFAOYSA-N 399.407 0.178 0 3 GCAF CC(C)C[C@@H](NC(=O)[C@H](O)[C@@H]1C=CC(=O)O1)[C@@H]1Cc2cccc(O)c2C(=O)O1 13366969 MXZNZZJLGOWQFM-OYUZRVEBSA-N 389.404 0.847 0 1 GCAF C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 14952297 RIRGCFBBHQEQQH-IQAYWSRLSA-N 385.424 0.481 0 1 GCAF CN1CCN(C)[C@@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)C1 23361059 HTUOQGFZWIWCSK-CQSZACIVSA-N 389.431 0.473 0 1 GCAF CC[C@@H]1[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)[C@H](O)C1(CO)CO 27769152 OBPWHNLGAFEGNB-AMRPNQTASA-N 389.492 0.942 0 1 GCAF C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NCc1ccccc1 40465548 YBTAWZZRIKLFJB-KSSFIOAISA-N 398.463 0.199 0 1 GCAF O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1)c1cnccn1 95903347 GFEYRJOTZRKGCS-YQQAZPJKSA-N 376.457 0.811 0 1 GCAF COc1cccc(OC)c1/C=c1\[nH]c(=O)/c(=C/c2nc[nH]c2C(C)(C)C)[nH]c1=O 102972921 WEMQMJMGMNJFIV-TYPNBTCFSA-N 396.447 0.759 0 1 GCAF COc1cc(C)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1 103197003 KOPREWMPVWYTEV-UHFFFAOYSA-N 394.413 0.401 0 1 GCAF CCOc1cc([C@@H](O)[P@](=O)(O)CC[C@@H](N)C(=O)O)ccc1OCC(=O)O 149077352 DUVRKQMGYBQIIA-BMIGLBTASA-N 391.313 0.612 0 1 GCAF O=C(O)/C=C(\C(=O)O)[C@H]1[C@@H]2NC(=O)C[C@H]3OCC[C@H]4CCN5CC[C@@H]1[C@@H]5[C@H]4[C@@H]23 169290758 ZPUCRSNLEAWVOV-VXEMLZHMSA-N 390.436 0.332 0 1 GCAF COC(=O)Cc1ccc(N2CC[C@@H]3[C@@H]2[C@H]2C(=O)C[C@H]3[C@@]3(O)CC(=O)O[C@@H]23)cc1 2356409431 IYURTELCXHYLTK-WVGPLTDYSA-N 385.416 0.862 0 1 GCAF COC[C@@H]1C(=O)[C@@]23[C@@H](C(=O)C[C@H]1[C@H]2O)[C@@]1(C)CCC[C@@](C)(CO)[C@H]1C[C@H]3O 2356498142 KDEJNCGOUVGNNS-OWDZVULNSA-N 380.481 0.954 0 1 GCAF O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCCCN1CCCC1=O 4563719 YRHZIBCDEDVJDG-UHFFFAOYSA-N 398.463 0.637 0 1 GCAF O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 13372218 ZNWJKOJJZQDPSW-QLCXLMDBSA-N 376.361 0.436 0 1 GCAF C=CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccc(OC)cc2)[nH]c1=O 34987422 SFTQLNYNFJPDTR-APGQMXJTSA-N 378.432 0.916 0 1 GCAF COc1cc(O)c2c(c1)[C@@H]1O[C@@H]([C@@H](O)C[C@H]1O)[C@H](O)/C=C/C[C@H](C)OC2=O 49111496 GNDKUQOAVULHDO-DORHYLSRSA-N 380.393 0.819 0 1 GCAF C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O 64553190 HTKLJVMSDXARCN-BZEACYEMSA-N 398.437 0.819 0 1 GCAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CN(S(C)(=O)=O)C1 95796191 BCRKTINDIWABMN-OAHLLOKOSA-N 379.482 0.679 0 1 GCAF CN(C)C(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1C(=O)NC1CCCC1 95866809 INIFVMHZEWEVMX-ZZCKCESHSA-N 388.468 0.552 0 1 GCAF Cn1cnc2cc(-c3ccc(N4CCOCC4)nc3)nc(NCCCN)c2c1=O 115625946 RDMRXSLSCHHIAK-UHFFFAOYSA-N 395.467 0.988 0 1 GCAF CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](C[C@H](O)[C@H]3[C@]23CO[C@@H](O)[C@H]13)[C@H](CO)C4=O 238788294 VXUVMWLQDKLAFV-SYRJJMCUSA-N 380.437 0.248 0 1 GCAF N[C@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587220610 NYRMJJNQMRKGFJ-BDAKNGLRSA-N 386.767 0.659 0 1 GCAF CS(=O)(=O)c1ccc(CN[C@@H]2[C@H]3CO[C@@H](O3)[C@H](n3ccnc3)[C@@H]2O)cc1 2356297469 UXCMPROUCJSLTC-HHARLNAUSA-N 379.438 0.102 0 1 GCAF CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)C[C@@H]3O)c2o1 2356709175 QWGWBDLODSVMOL-DQADVMEASA-N 378.377 0.483 0 1 GCAF CC[C@@H]1NC(=O)[C@@H]2C[C@H](NS(=O)(=O)c3ccc(Cl)cc3)CCN2C1=O 2356731084 YTYFPVKSZQUULX-XBFCOCLRSA-N 385.873 0.886 0 1 GCAF CC(C)(C)OC(=O)CNC(=O)c1nc[nH]c1C(=O)NCC(=O)OC(C)(C)C 13108129 NEUBUQDCHXRRIC-UHFFFAOYSA-N 382.417 0.553 0 3 GCAF Nc1nc(NCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 27418166 KVFIFVMFYLZJBZ-XZBIERFOSA-N 392.460 0.402 0 1 GCAF O=C(O)c1cccc(-c2ccccc2O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1 40498368 SCIBHVOFQINYLN-ATIFRJIPSA-N 376.361 0.231 0 1 GCAF CC(=O)NCCCC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)O 71294853 WOMPVBYGMMEMLI-HNNXBMFYSA-N 388.424 0.732 0 1 GCAF CCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C)C(=O)CN1CCOCC1 95895906 YJKTZHWVYVUUOR-BBTUJRGHSA-N 389.496 0.543 0 1 GCAF CCCCOC(=O)[C@@]1(O)C[C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O1)[C@H]2O 200663360 BGDMQEYSPNKXHV-RUEZSYAVSA-N 380.393 0.793 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3cccs3)[C@H](O)[C@@H]2O1)NC1CC1 2356288796 LFECHLSWAADANC-RWNPNPFLSA-N 381.454 0.824 0 1 GCAF COC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 40786319 BCISGTOXCLDNRV-UWXKVWCOSA-N 384.429 0.204 0 1 GCAF COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@H]2[C@H](CO)O1 95901414 IMIOHDVFACJXOK-BCRCDCHUSA-N 378.425 0.744 0 1 GCAF O=c1nc(N2CCOCC2)[nH]c(NC[C@H](O)CO)c1-c1ccc2ccccc2n1 205743383 SXTXXYBWWFCVPL-AWEZNQCLSA-N 397.435 0.587 0 1 GCAF CNS(=O)(=O)N1CCC(c2nc3nc(Br)c[nH]c-3n2)CC1 586955356 WHPGGZQYTHRZJU-UHFFFAOYSA-N 375.252 0.711 0 1 GCAF COc1cc(O)c2c(c1)[C@H]1O[C@@H]([C@H](O)C=CC[C@H](C)OC2=O)[C@H](O)C[C@@H]1O 2356539212 GNDKUQOAVULHDO-SNNWZVCWSA-N 380.393 0.819 0 1 GCAF CCCS(=O)(=O)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OC(=O)NC1CCCCC1 2356866096 VMASFSZICBLZND-APIJFGDWSA-N 376.475 0.910 0 1 GCAF O=C(NCCOc1ccc(F)cc1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 19219924 MIOOBDVJUITNEK-INIZCTEOSA-N 393.459 0.892 0 3 GCAF CC(=O)Nc1ccc(C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)cn1 4974727 UUBFNFFHSLNZAI-UHIISALHSA-N 378.410 0.285 0 1 GCAF CO[C@@]1(NC(=O)COc2ccccc2)C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]21 26160968 XCWIQPFCOGCNIM-HOTGVXAUSA-N 398.824 0.974 0 1 GCAF NN[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@@H]12)c1ccccc1 29394053 YZPSOECSLOKRML-RBZYPMLTSA-N 382.829 0.126 0 1 GCAF CC(=O)c1c(C)cc2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1O 33832898 FZUPKYUANHOYBD-JZXZQAMYSA-N 378.377 0.235 0 1 GCAF biogenic,in-vitro C[C@@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(CCN3CCCC3=O)c(=O)n21 82210845 PZVKGQSZQAUOOG-CYBMUJFWSA-N 399.451 0.937 0 1 GCAF CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C1=O 169642486 JDQWFMXPVVWMMH-VGWMRTNUSA-N 392.500 0.264 0 1 GCAF O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)O 299838032 QBHXBGGOGZELFZ-GBJTYRQASA-N 380.422 0.944 0 1 GCAF CC1(C)OC(=O)C(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)=C1N 587255592 RJBAYQHQLWJHPZ-UHFFFAOYSA-N 392.437 0.589 0 1 GCAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H]2OC(=O)[C@@H](O)[C@H]2O)N1 587846027 CRAWNBFPIFYPCP-ZXHFOQARSA-N 390.205 0.172 0 1 GCAF NC(=O)c1ccccc1OCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 1772603583 YKDNQGGKUMMYTM-KRWDZBQOSA-N 383.448 0.700 0 1 GCAF CCCCOC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@@H](OC(=O)C=Cc2ccc(O)cc2)C1 2356378484 LOODTFZXXKMJEN-YTXYEVPYSA-N 394.420 0.907 0 1 GCAF COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@@H]2N=C(C(C)=O)[C@@H]3[C@@H]4CO[C@H]1[C@H](O)[C@]243 2356615910 PDQWKABOOJGRIL-UDPMAWGXSA-N 398.415 0.649 0 1 GCAF CCC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)nc3nc[nH]n3c2=O)cc1 103695774 OGZRAUJCBKDOFP-UHFFFAOYSA-N 376.398 0.875 0 3 GCAF OC[C@H]1O[C@H](n2cnc3c(NOCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 49032292 QYEIULRVHWFDDY-DRRHNWJESA-N 387.396 0.024 0 1 GCAF COCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO 95677598 XHJSWNOOJCOHJI-BZUAXINKSA-N 382.844 0.793 0 1 GCAF CCS(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](CO)O1 95678162 NFMKQITUWMOCLJ-OWCLPIDISA-N 376.519 0.921 0 1 GCAF COCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Cc3cccnc3)[C@@H](CO)O2)nn1 95907044 CPRKXMBGMLHECS-RCCFBDPRSA-N 389.456 0.477 0 1 GCAF CCN(C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)c1ccccc1 61947228 JSXNWIGZRBVYIF-IGMJJTELSA-N 387.436 0.283 0 3 GCAF O=C(O)[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)CCC3CCNCC3)C2)CCC1=O 26401120 YFEFXIJHEGDAHU-HZPDHXFCSA-N 393.484 0.507 0 1 GCAF CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)N2CCNCC2)cs1 82071152 UQAKVHILPIVDAK-CYBMUJFWSA-N 399.542 0.063 0 1 GCAF 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C/C(=C(/O)CO)[C@H]1OC(=O)C=C2[C@]3(C)[C@@H]4[C@H](C[C@@H]5O[C@@H]53)C(=O)O[C@@H]4[C@H]3O[C@]213 238763035 GTLXGEXLDIMHND-PMLDXVKQSA-N 376.361 0.149 0 1 GCAF CC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)C3=C[C@@H]4C=NN[C@@H]4N=C3)CC1)C2 261186364 XPBFKHLWNBYPAN-DYVFJYSZSA-N 395.467 0.653 0 1 GCAF CC1=C[C@@H]2[C@H](C(C)C)C(=O)C[C@@H](C)[C@@H]2C[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356315497 FKHKXGQDMKLQLK-PWPCQKOKSA-N 398.496 0.635 0 1 GCAF Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@@H](NCc3ccncc3)[C@@H]2O)cc1 2356626873 MYAYVOWFHCUNGJ-SQNIBIBYSA-N 377.466 0.586 0 1 GCAF O=C1[C@H]2C[C@H](O)CN2C2(CN(Cc3ccoc3)C2)C(=O)N1Cc1ccccc1 2356756668 BQXWPZMSPZBPTK-ZWKOTPCHSA-N 381.432 0.838 0 1 GCAF CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C 13736111 UIVHXYHBMDPWME-ZMLRMANQSA-N 379.379 0.774 0 1 GCAF CNC(=O)C[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O 34800599 NDAHSVDMGXMEIZ-XXHPDZBISA-N 398.423 0.194 0 1 GCAF NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O 38844507 HOTFASLBBFTCBD-AWEZNQCLSA-N 386.795 0.610 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(NC4CC4)nc32)[C@H](O)[C@@H]1O 96900757 HDYZPXHYBQOSKY-LSCFUAHRSA-N 390.444 0.367 0 1 GCAF CC(C)O[P@@]1(=O)OC[C@H]2O[C@@H](c3cnc4c(N)ncnn34)[C@](C)(N)[C@@H]2O1 148170891 AKHZDYIWJZVOTI-KCBJWIJTSA-N 384.333 0.812 0 1 GCAF O=C(NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2Cl)[C@H]1O)c1ccoc1 1772604077 DJCRCYLTSSHYBQ-RKVPGOIHSA-N 394.811 0.584 0 1 GCAF CC(=O)NC=CSC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)OS(=O)(=O)O)[C@H]2C1 2356458080 FQQFFZPBGYGDSX-GTNGPMTGSA-N 392.411 0.062 0 1 GCAF Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@H](NC3CCN(C)CC3)[C@H]2O)cc1 2356628948 LTJSDSPDILAKBO-OKZBNKHCSA-N 383.514 0.085 0 1 GCAF C=CCNC(=O)N[C@@H]1C[C@@H](C(=O)N[C@H](C(=O)OC)C(C)C)N(C(=O)C2CC2)C1 25166352 RHTJXDOWDKKIRJ-ILXRZTDVSA-N 394.472 0.165 0 1 GCAF biogenic COC1=C(OC)/C(=C/[C@H](n2cnc3c(N)ncnc32)P(=O)(O)O)OC1=O 28636631 IGTWFGMVQLBBQY-FXHNIGACSA-N 383.257 0.030 0 1 GCAF COc1cc(O)c2c(c1)C1=C[C@@H]3O[C@](O)(C(=O)O)C[C@]3(O)C[C@@]1(C)OC2=O 2356865684 VLBWUASOVMKUPK-XKDXWZMYSA-N 378.333 0.410 0 1 GCAF COC(=O)Cn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@@H](C)CN2 82212062 UWFCCDUJINOTRV-JTQLQIEISA-N 388.380 0.480 0 1 GCAF NC(=O)CC1(NC(=O)c2cc(OCCF)c(C3CC3)cn2)CS(=O)(=O)C1 149260380 WRQZXJQOVFNIMA-UHFFFAOYSA-N 385.417 0.080 0 1 GCAF N[C@@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587222222 RYAQMMKDSHCLPR-BQBZGAKWSA-N 388.302 0.284 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(F)c(F)c(F)c2[nH]1 587223626 XCXGTYKDWRVYDN-BQBZGAKWSA-N 388.302 0.804 0 1 GCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C(=O)O[C@@H]2[C@@H](O)CO 587841675 NDGXLUNWLDEFJM-BOMJBEQLSA-N 388.189 0.165 0 1 GCAF Cc1c(C(=O)N2C[C@H]3CC(C)(O)C[C@@H]3C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857533719 SQPIBOZIVPYPGG-CHWSQXEVSA-N 382.424 0.750 0 1 GCAF O=C(C[C@@H]1CC[C@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccncn1 95905410 DDMOSXHNDSWOGY-OKZBNKHCSA-N 384.436 0.821 0 1 GCAF CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(N)=O 197092170 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COc1ccc(CN2C(=O)[C@H]3C[C@H](O)CN3C3(CN(C4CCC4)C3)C2=O)cc1 2356290568 WSSLYTYEZXNGOR-FUHWJXTLSA-N 385.464 0.606 0 1 GCAF CC(C)CN1CC2(C1)C(=O)N(Cc1ccccc1F)C(=O)[C@H]1C[C@H](O)CN12 2356690588 DGIFSZWJLULCEP-DOTOQJQBSA-N 375.444 0.840 0 1 GCAF COCC(=O)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OC(=O)Nc1cc(OC)cc(OC)c1 2356840824 MVAHBCMPEPEHTE-TXCZRRACSA-N 396.396 0.550 0 1 GCAF Cc1cc(=O)n2nc(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)sc2n1 5148933 OMHMKMZMVULDMB-ZDUSSCGKSA-N 377.470 0.971 0 1 GCAF COCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)N2CCC(C(=O)O)CC2)nn1 8299770 MIFINJGIWPQIJY-OIISXLGYSA-N 391.472 0.458 0 1 GCAF biogenic CNC(=S)SCN1C(=O)CC[C@H](N2C(=O)c3ccccc3C2=O)C1=O 40865499 VBFSOUGMLULIHT-NSHDSACASA-N 377.447 0.995 0 1 GCAF NC(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1 96926910 PTRHEDBKMKYEAR-XMTFNYHQSA-N 387.521 0.019 0 1 GCAF CCOC(=O)/C(C)=C/CC[C@H](C)CCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238786449 QMKDCNIWPRUZMS-JZFXSVQQSA-N 376.446 0.119 0 1 GCAF O=C(O)CNS(=O)(=O)c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587562556 FIUVDWAXDCPKBW-UHFFFAOYSA-N 376.350 0.466 0 1 GCAF COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@](O)(CO)[C@]2(O)CO)ccc1O 2356722411 GRSNTPZMTOYPRG-AQNXPRMDSA-N 392.404 0.250 0 1 GCAF CCC(CC)Nc1ncnc2c1ncn2[C@H]1O[C@@H](C(=O)NC2CC2)[C@@H](O)[C@@H]1O 29413544 CLBHMSACXZWALZ-FLTUCWPJSA-N 390.444 0.325 0 1 GCAF COC(C)(C)/C=C/c1cc(C(C)=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 40865249 VVFUESRNOVONAM-KOGRRYKMSA-N 396.436 0.506 0 1 GCAF CC(C)NC(=O)NCC[C@@H]1CC[C@H](NC(=O)CCN2CCCCC2)[C@@H](CO)O1 95678417 JVYCUASVIANWPE-OKZBNKHCSA-N 398.548 0.985 0 1 GCAF CN(C)C(=O)CNc1nc(-c2cccc3c2CC[C@@H]3O)nc(N2CCOCC2)n1 203904346 GLRSLQZRDMEWJJ-INIZCTEOSA-N 398.467 0.855 0 1 GCAF Cc1ncc(COP(=O)(O)O)c(/C=N/CCCC[C@@H](N)C(=O)O)c1O 263621296 YQSOQJORMNSDJL-DYPRAHPUSA-N 375.318 0.706 0 1 GCAF in-vitro COCC(=O)NC[C@@H]1OC[C@H](N(Cc2ccccn2)Cc2ccccn2)[C@H]1O 2356287607 MISBBAFNUMSYDP-CMKODMSKSA-N 386.452 0.370 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3CCC(F)(F)CC3)[C@H](O)[C@H]2O1 2356503893 XPOHKXZUDWVIEA-QZLJAVCYSA-N 392.443 0.592 0 1 GCAF CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3NS(C)(=O)=O)cc1 2356828854 ILURWSAZJACKTF-KBUPBQIOSA-N 384.410 0.522 0 1 GCAF O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 14859097 GSOBLLOKFLTRQA-OGJJZOIMSA-N 392.360 0.141 0 1 GCAF CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CC=CCC4)ncnc32)[C@H](O)[C@@H]1O 49017879 LNTFRGNEXISGDT-WKVRZLFISA-N 388.428 0.102 0 1 GCAF O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCCC2)[C@H](CO)O1)c1cnccn1 95903348 GFEYRJOTZRKGCS-ZOBUZTSGSA-N 376.457 0.811 0 1 GCAF COc1cccc2c1S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn(C)c1-2 112930319 YCZJXKYUEHIAKK-UHFFFAOYSA-N 377.422 0.855 0 1 GCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NCCN4CCCC4)nc23)N1 205024079 ZZINTIMGPBCZKI-LCYFTJDESA-N 397.443 0.387 0 1 GCAF O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 2356496237 GSOBLLOKFLTRQA-OYNZLANYSA-N 392.360 0.141 0 1 GCAF CC=C(C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)[C@]3(O)[C@H](C)OC(=O)[C@@H]3C)[C@@H]12 2356632554 NRYICLSFNMBTFB-AFNJQNFASA-N 395.452 0.814 0 1 GCAF CCNC(=O)O[C@@H]1CO[C@@H]2[C@H](NS(=O)(=O)c3ccc(Cl)cc3)CO[C@@H]12 2356866133 VMIJHGBLKHRDRI-SYQHCUMBSA-N 390.845 0.899 0 1 GCAF Cc1nsc(N2CCN(C(=O)[C@@H]3CN[C@H](C(=O)N4CCCC4)C3)CC2)n1 29130992 WUVTVUSVMWDLCA-KBPBESRZSA-N 378.502 0.096 0 1 GCAF OC[C@@H]1O[C@@H](n2cnc3c(N[C@@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 36271895 FSKMJUWPFLDDRS-IQWHIPCCSA-N 383.408 0.537 0 1 GCAF CC1=C[C@H]2[C@@H](C[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)CC(=O)[C@@H]2C(C)C 2356315496 FKHKXGQDMKLQLK-FTCGIWNHSA-N 398.496 0.635 0 1 GCAF C[C@@H]1CCC[C@H]2C[C@@](O)(CC(=O)O1)[C@H]1C(=O)c3c(O)cc(O)cc3[C@@]2(O)C1=O 2356326064 SULZYUZOGJXPLI-TUFIZHSUSA-N 390.388 0.924 0 1 GCAF CCOC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@H](OC(=O)C=Cc2ccc(O)c(OC)c2)C1 2356572191 RSAGVEOPIVWXRD-KOJWFEOWSA-N 396.392 0.136 0 1 GCAF N[C@H](CCC1=CN2[C@H](C(=O)O)CCC[C@@H]2[C@@H]2CC[C@H](C(=O)O)N=C12)C(=O)O 2356635007 SHGUDPYPHXWETM-MRTXSQPYSA-N 379.413 0.688 0 1 GCAF COc1cc(C=CC(=O)O[C@@H]2[C@H](O)O[C@H](C)[C@H](OC(C)=O)[C@H]2O)ccc1O 2356747525 BCCVUXNXLHXLEU-GUYPMHAYSA-N 382.365 0.356 0 1 GCAF O=C(CC[C@@H]1CNC(=O)[C@H]2C[C@@H](NC(=O)Nc3ccccc3)CN12)NC1CC1 2356810683 BAJLTFFHVKVRBP-BRWVUGGUSA-N 385.468 0.808 0 1 GCAF COCCN(CCOC)C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 5679779 MQJIZJNLWUPELL-GOSISDBHSA-N 395.481 0.953 0 3 GCAF COc1cc(C[C@]2(O)CO[C@@](O)(c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O 14495731 BCDMAKZFWCATFJ-AABGKKOBSA-N 392.404 0.873 0 1 GCAF biogenic N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 26577703 YVMJGXSKZDPNQK-INIZCTEOSA-N 375.450 0.220 0 1 GCAF COc1ccc(CN[C@@H]2CO[C@@H](CNS(=O)(=O)c3ccccc3)[C@H]2O)cc1 2356287758 PNRPQLSHTIYAOZ-QYZOEREBSA-N 392.477 0.892 0 1 GCAF CCCNC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@H]1O 2356494661 LJMIROMOIQLMMP-MUGBGTHKSA-N 391.415 0.239 0 1 GCAF CC=CC=C[C@H]1Cc2cc(O[C@H]3O[C@H](CO)[C@H](OC)[C@@H](O)[C@@H]3O)cc(O)c2O1 2356819605 FDEFVNRVFBOZML-FAHNZEHYSA-N 394.420 0.661 0 1 GCAF Cc1cccn2c(CN[C@H]3CCCCNC3=O)c(C(=O)N3CCOCC3)nc12 11663592 XXANTSKUEBGEHB-HNNXBMFYSA-N 385.468 0.873 0 3 GCAF COc1ccc(CCN2C[C@@H](C(=O)NCCN3CCNC3=O)CCC2=O)cc1 12572016 USYMVJQAHJAUHT-INIZCTEOSA-N 388.468 0.618 0 3 GCAF COCC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O 34873863 QLWGBXKLJUYQJV-CABCVRRESA-N 383.445 0.311 0 1 GCAF CCc1nc(C(=O)N[C@H](C)C(=O)OCCOCCN2CCNCC2)cs1 82070705 IPOUMNLAHIVDIP-CYBMUJFWSA-N 384.502 0.289 0 1 GCAF OC[C@H]1O[C@@H](Oc2ccc(O)cc2CCc2ccc(O)cc2)[C@H](O)[C@H](O)[C@@H]1O 238741132 LGJLOYKMPSDLGH-LASHMREHSA-N 392.404 0.062 0 1 GCAF CC[C@H]1Cc2cc(O[C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]3O)c(C)c(O)c2C(=O)O1 238784946 YARHXHDQYZMBQS-ZJVSBVKASA-N 398.408 0.025 0 1 GCAF CCCCCCN(CCCCCC)S(=O)(=O)N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O 473082854 AGGCONLOBZLUDC-NCOADZHNSA-N 396.550 0.722 0 1 GCAF Cc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2cccc3c2CNCC3)[C@@H](O)[C@H]1O 1857578655 IRRYGHOMAHMGTM-TWHPPBISSA-N 396.447 0.738 0 1 GCAF CCNc1ncnc2c1nc(NC1CCCC1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 13755466 XRSQQEYDMCWKKR-XNIJJKJLSA-N 378.433 0.224 0 1 GCAF C[C@@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O 38192108 YSJYQTZPTGSHNG-SECBINFHSA-N 396.411 0.424 0 1 GCAF CCNC(=O)[C@H]1O[C@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O 48998456 KKOVVDNJUPCRKX-AHXJXLJNSA-N 390.444 0.326 0 1 GCAF CC(=O)NS(=O)(=O)c1ccc(NCc2cnc3nc(N)nc(O)c3n2)cc1 653830210 IFXPLBJPAQFDLV-UHFFFAOYSA-N 389.397 0.145 0 1 GCAF Cn1cncc1CN1CC2(C1)CN(C(=O)c1ccccc1F)C[C@H]1COCCN12 2356288668 IZBNLWFMQBKEDG-KRWDZBQOSA-N 399.470 0.970 0 1 GCAF O=C(NCC1(COc2cnccn2)C[C@H](O)[C@@H](O)C1)c1nc2ccccc2[nH]1 2356300871 UOWVJNMMOIJVAV-GJZGRUSLSA-N 383.408 0.664 0 1 GCAF CC[C@@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)[C@H]1OC(C)=O)[C@H]23 2356528488 XIYZMOFCMDIBKI-SPZKFJHNSA-N 395.452 0.814 0 1 GCAF CN1CCC(NC[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N2CCc3ccccc3C2)CC1 2356808782 AKCBHBQPJNWHSC-JSXRDJHFSA-N 375.513 0.218 0 1 GCAF CN(C)CCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)s1 3813494 DVUWOVQYIACUCM-MCOFMCJXSA-N 383.473 0.723 0 1 GCAF CCOC(=O)C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O 13435542 HZTLWLBHUPNTLF-SQWLQELKSA-N 376.358 0.298 0 1 GCAF biogenic CN(C(=O)C[C@@H](N)CCCCCN)[C@H]1CN=C(Nc2ccccn2)NC1=O 33991945 OIBVSJZFGKNUDV-KBPBESRZSA-N 375.477 0.043 0 1 GCAF investigational COC(=O)Cn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](C(C)C)N2 82224231 IHNXNFKUNPEYOZ-CQSZACIVSA-N 388.424 0.951 0 1 GCAF CC(C)Oc1ccc2nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2c1 587219399 KXQZHKOMMDSBCD-DGCLKSJQSA-N 392.412 0.654 0 1 GCAF COc1ccc(N2C[C@H](O)c3cc(S(N)(=O)=O)sc3S2(=O)=O)cc1 3870877 ZWTSOJQGEWPWGO-NSHDSACASA-N 390.464 0.646 0 1 GCAF in-vivo OC[C@H]1O[C@H](n2cnc3c(N[C@H]4CCOc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 48995298 ZYNGQOBUZLONDV-SIGKZPCZSA-N 399.407 0.374 0 1 GCAF CS(=O)(=O)Nc1cccc(-c2cnc(N)c(C(=O)NC3CCNCC3)n2)c1 84635761 MUYSRCLSIJBUSX-UHFFFAOYSA-N 390.469 0.579 0 1 GCAF O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2C(=O)C1CC1 95881835 YHZGHLFVBXATHQ-BGTYHANMSA-N 395.415 0.895 0 1 GCAF NC(=S)c1ccc(C(=O)Nc2cccc([C@@]3(CF)COCC(N)=N3)n2)nc1 143266859 RWYPCDYBONWERI-QGZVFWFLSA-N 388.428 0.915 0 1 GCAF COc1cccc(N2C[C@H]3[C@@](c4ccccc4)(C2)N=C(N)N(C)S3(=O)=O)n1 205388519 ROOHNRUKVDMYSK-KSSFIOAISA-N 387.465 0.764 0 1 GCAF COC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C 61946333 BOUWOFDIRQBKSW-YCPHGPKFSA-N 397.476 0.501 0 3 GCAF COC(=O)[C@@H]1CN(CCO)CCS(=O)(=O)N1Cc1cccc(Cl)c1 96019067 JGGVVJCQQSEUIP-AWEZNQCLSA-N 376.862 0.321 0 3 GCAF CC(C)[C@H](NC(=O)Cn1cccc(NC(=O)C(=O)O)c1=O)C(=O)C(F)(F)F 13738565 YYIZWCJCLHHJEY-JTQLQIEISA-N 391.302 0.144 0 1 GCAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](c3ccccc3)N(C)N)[C@@H]2SC1 29394045 HUDGSTYEPRRYDA-KFNAQCHYSA-N 376.438 0.292 0 1 GCAF COCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)Cc1ccccn1)C2 95794252 NZDFGTNNLPRLOE-NQIIRXRSSA-N 395.459 0.838 0 1 GCAF COc1ccccc1CNC(=O)C[C@@H]1CC[C@@H](NC(=O)CN(C)C)[C@H](CO)O1 95907096 RWNJDCVIKVVTPT-JZXOWHBKSA-N 393.484 0.288 0 1 GCAF CC(=O)c1c(C)cc2cccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2c1O 254075427 FZUPKYUANHOYBD-JQEKZKEHSA-N 378.377 0.235 0 1 GCAF CS[C@@H]1C(=O)N(C)[C@H](Cc2ccc(OC[C@@H](O)C(C)(C)O)cc2)C(=O)N1C 2356728263 DXKZHOFMXXPYED-IIDMSEBBSA-N 396.509 0.728 0 1 GCAF CCO[C@@H]1S[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 2356737419 QTRWNIJHUWXNNR-YIDVYQOGSA-N 392.426 0.823 0 1 GCAF CC(C)NC(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@H](NC(=O)c3cccs3)CN12 2356859388 SUAWJUKCDSICPX-BFHYXJOUSA-N 378.498 0.724 0 1 GCAF N=C(N)c1ccc(N2CC3(CCN(C(=O)NCCC(=O)O)CC3)CC2=O)cc1 13560396 FTSOGSFFYMFUDT-UHFFFAOYSA-N 387.440 0.974 0 1 GCAF C[C@@H]1O[C@H](OC(C)(C)[C@@H]2Cc3cc4ccc(=O)oc4cc3O2)[C@@H](O)[C@@H](O)[C@@H]1O 14587249 HOSJGHRJSDQCPE-IPRMNXABSA-N 392.404 0.719 0 1 GCAF endogenous,in-man COc1ccccc1OC[C@H](O)CNCCOc1ccc(O)c(C(N)=O)c1 27979590 RIKMLPIIVANRSU-CYBMUJFWSA-N 376.409 0.908 0 1 GCAF NC1=NON[C@H]1N1N=N[C@@H](c2n[nH]c(-c3ccncc3)n2)[C@@H]1CN1CCCCC1 28529684 QOSJHIAXUCUPLN-AHIWAGSCSA-N 397.447 0.578 0 1 GCAF COc1ccc(CNC(=O)C[C@@H]2CC[C@@H](NC(=O)CN(C)C)[C@H](CO)O2)cc1 95676071 AFXALTHXBUYGQN-KSZLIROESA-N 393.484 0.288 0 1 GCAF CCCCC[C@H](CC[C@@H]1CCC(=O)O1)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356451956 YAZBAPFSBSLGJA-RYJUIXMKSA-N 376.446 0.238 0 1 GCAF C[C@@]12C[C@H](C(=CC(=O)O)CO)OC(=O)[C@@]1(O)C[C@H]1OC(=O)C3=CC=C[C@H]2[C@]31C 2356524682 BHPYMXFPBKYXKF-MQZIUGBBSA-N 390.388 0.490 0 1 GCAF COCCNc1ncnc2c1ncn2[C@H]1CN(Cc2ccco2)C[C@@H](CO)O1 61903081 KTADHXFJRVKWGG-LSDHHAIUSA-N 388.428 0.870 0 3 GCAF COc1ccc(C[C@H]2NC(=O)[C@@H]3CN(C(=O)c4ccco4)CCN3C2=O)cc1 25221589 BJIZJENKWRFTHR-CVEARBPZSA-N 383.404 0.682 0 1 GCAF biogenic CCC(CC)Nc1ncnc2c1ncn2[C@H]1O[C@@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O 36272801 CLBHMSACXZWALZ-LWGWVAHUSA-N 390.444 0.325 0 1 GCAF CCCC/C=C\c1nc(N)c2ncn([C@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1 49792719 UWLLGYMGKGHTKE-FHVBACDESA-N 390.444 0.367 0 1 GCAF COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 95797844 MNXZFCVGXSKIEH-DBXWQHBBSA-N 381.432 0.893 0 1 GCAF C[C@H]1C[C@@]23OC(=O)C4=C(O)[C@H](C)C[C@](C)(O)C(=O)C[C@H]4[C@@H]2[C@H](O)[C@]1(C)OC3=O 2356334357 FAFGDIIANZCFAM-JOTFZEBMSA-N 394.420 0.793 0 1 GCAF CC=C1C[C@H](C)[C@](C)(OC(C)=O)C(=O)OC[C@@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@@H]23 2356474817 DZYSFHOSCAULAC-XZBIJLHPSA-N 395.452 0.814 0 1 GCAF CN1CC2=CCO[C@@H]3CC(=O)N4c5c(O)cccc5[C@@]5(C[C@H]1O)C(=O)C[C@H]2[C@H]3[C@H]45 2356560750 DJXMJEPDTHPSQF-WTCFTIQDSA-N 396.443 0.933 0 1 GCAF N#Cc1ccc(C(=O)N2CCN3C(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H]3C2)cc1 4270904 BGGFDZMQPMFFOF-RTBURBONSA-N 388.427 0.952 0 1 GCAF biogenic CC(C)n1c(=O)n(C(=O)NCCN2CCN(C)CC2)c2cc(F)c(N)cc21 22939373 PTNZPCZNDRLIPS-UHFFFAOYSA-N 378.452 0.910 0 1 GCAF CC(=O)NC[C@H]1CN(c2ccc(C3=NO[C@@H](CNC(C)=O)C3)c(F)c2)C(=O)O1 26834385 RODBLGHTIMBNSU-KGLIPLIRSA-N 392.387 0.916 0 1 GCAF CC(C)[C@@H](N)C(=O)OCN1C(=O)CC[C@H](N2C(=O)c3ccccc3C2=O)C1=O 40676961 CDFDXHJVZKXONN-DZGCQCFKSA-N 387.392 0.284 0 1 GCAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc4[nH]c(=O)c(=O)[nH]c4c1)[C@@H](C2)C3=O 587436125 LXNJUSKUPHGJQQ-YBTHPKLGSA-N 394.339 0.953 0 1 GCAF Cc1nccn1[C@@H]1[C@H]2OC[C@@H](O2)[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@@H]1O 2356296968 PDPNMJALEITJQG-FPSMNIFISA-N 393.465 0.411 0 1 GCAF COc1cccc(OC)c1OC(=O)[C@H](CCS(C)(=O)=O)N1CCOCC1 40465263 HECFDIRGHOSITC-ZDUSSCGKSA-N 387.454 0.745 0 1 GCAF O=C(CCN1CCCCC1)NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1 95903736 HDMJUGRTWFBQSU-FGTMMUONSA-N 381.517 0.803 0 1 GCAF O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NCCCN1CCOCC1 95904015 VSEYOWDNEXZEFM-KSZLIROESA-N 397.516 0.040 0 1 GCAF Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1cnn(-c2ccccc2)n1 144083190 SVQQUTMYEZVFSM-UHFFFAOYSA-N 379.424 0.819 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)C(C)(C)C2 257520784 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397.523 0.933 0 1 GCAF CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H]3C1=O 102017527 TXCXCZBYPFXTDE-CNVJLJKISA-N 388.395 0.787 0 1 GCAF Cc1cc(Cl)cc2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c12 587217476 CVNKGLIEEOLTJU-VHSXEESVSA-N 382.804 0.829 0 1 GCAF COC(=O)c1cccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 587221882 QZFDMOUKGJZERO-GXSJLCMTSA-N 392.368 0.174 0 1 GCAF Nc1ncnc2c1c(-c1cccc(Cl)c1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1857569943 OIPZPFMSXRZIKM-LSCFUAHRSA-N 376.800 0.945 0 1 GCAF CCCC[C@H]1[C@@H]2C[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@](C)([C@@H]1O)C2(C)C 2356360656 KZVURNVUGCMDSM-LPJKYJLNSA-N 388.501 0.405 0 1 GCAF OC[C@H]1O[C@@H](Oc2ccc(COCc3ccc(O)cc3)cc2)[C@@H](O)[C@H](O)[C@H]1O 2356507402 URINFYYBTXOQCT-UJMXGEILSA-N 392.404 0.288 0 1 GCAF COc1ccc(N2C(=S)N[C@@H]3[C@H](O)[C@H](O)C[C@@H](C(=O)NC4CC4)[C@H]32)cc1 2356600133 BCYCWYAWWOUUDH-IBEHDNSVSA-N 377.466 0.147 0 1 GCAF CC(C)N[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2n1nnnc1Oc1ccc(-n2cncn2)cc1 2356805636 ADOYYMJIXUXNNE-NCOADZHNSA-N 398.427 0.751 0 1 GCAF COc1ccc(CC(=O)N2CCN(C(C)=O)C[C@H]2CN2CC[C@@H](O)C2)cc1 26282785 KPROYTOCROSGBH-QZTJIDSGSA-N 375.469 0.364 0 1 GCAF CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccccn2)O1 95887723 XTMFCURZJJHNFP-ABFRBSLYSA-N 377.441 0.357 0 1 GCAF CN(C)CC(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO 95907365 RJRBPHDBUORXJM-JZXOWHBKSA-N 379.505 0.912 0 1 GCAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC2CCCCC2)[C@@H](O)[C@H]1O 169340168 MKVRCQVBVNSXAB-URQYDQELSA-N 376.461 0.716 0 1 GCAF O=C(NC[C@@H]1O[C@H](n2ccc(O)nc2=O)C[C@@H]1O)C12CC3[C@H](CCC[C@@H]3C1)C2 253637562 AOMBHLFCWIMSPC-BEZOFPTOSA-N 389.452 0.930 0 1 GCAF C[C@@H](O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 255276014 WIOBOUWMWWLZKG-VYJMVJKQSA-N 382.497 0.623 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)[C@H](C)C2 257557276 UQYNGSPDPASNLN-NBHGCBHUSA-N 380.437 0.037 0 1 GCAF endogenous,in-man C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)O)N1 587833889 PTGLJQVMVILWNZ-TVTDYFPQSA-N 378.238 0.627 0 1 GCAF CC[C@@]1(C(=O)OC)N[C@H](CN(C)C(=O)c2ccccc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 61947215 ADKORUOCDNERPV-IGMJJTELSA-N 387.436 0.283 0 3 GCAF CCO[C@@H]1O[C@@H](COC(=O)C(C)(C)C)[C@@H](O)C[C@@H]1n1cc(C)c(=O)[nH]c1=O 6001765 HDGZTAFELKEMDZ-PWNZVWSESA-N 384.429 0.488 0 1 GCAF NC(=O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1COCC1=O 29571232 DDVJZEWXRRWRJL-RYUDHWBXSA-N 389.433 0.349 0 1 GCAF O=C(O)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1 95881836 YHZGHLFVBXATHQ-DZJNRPSUSA-N 395.415 0.895 0 1 GCAF CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587529500 BAZPXBVJQFOLEQ-ZCDKGFTFSA-N 376.405 0.953 0 1 GCAF CCO[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 2356743702 XXSHCJSIEFYOFQ-LEOABGAYSA-N 376.358 0.106 0 1 GCAF CN1[C@@H](c2c(C(=O)O)[nH]c3cc(O)c(Br)cc23)[C@@H](O)N(C)[C@@H]1N 2356812150 BIBIOWJOTODNFO-OUCADQQQSA-N 385.218 0.813 0 1 GCAF CC(=O)O[C@@H](COc1ccc2c(c1)[n+](=O)nc(N)n2O)CN1CCCCC1 31829746 KSCSPAUSPTUSCX-CQSZACIVSA-N 378.409 0.567 0 1 GCAF Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCS(=O)(=O)O)c3)cc21 73313034 NDOWNGODSYYNQC-UHFFFAOYSA-N 376.394 0.546 0 1 GCAF COc1ccc(CNC(=O)C[C@@H]2C=C[C@H](NC(=O)CN(C)C)[C@@H](CO)O2)cc1 95907056 VWYZNXAXUASMBN-OKZBNKHCSA-N 391.468 0.064 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cnc3ccccc3c2[nH]1)C(=O)O 587220135 MUPOOFVYTYQRHE-CMPLNLGQSA-N 385.380 0.415 0 1 GCAF C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605575 BEKFJEHPEIOIAV-NRLLQNHNSA-N 376.361 0.186 0 1 GCAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[n+]4ccc(CN)cc4)cc3)C[C@H]12 26287130 BEZULPHNHHGNGP-UPRAQXHNSA-O 394.451 0.888 0 1 GCAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc4c(c3)OCO4)[C@@H]2SC1 40709706 APIJQNGYGVYKQR-WQGACYEGSA-N 391.405 0.174 0 1 GCAF COc1ccc(NC(=O)NC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)cc1 95576833 QEDOSWQTMJNDCC-RRFJBIMHSA-N 390.396 0.324 0 1 GCAF COc1ccccc1CNC(=O)C[C@@H]1C=C[C@H](NC(=O)CN(C)C)[C@H](CO)O1 95678139 YJKUDHPPBXQQCK-BQFCYCMXSA-N 391.468 0.064 0 1 GCAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4(=O)=O)nc(N3CC4CC3C4)n2)cn1 221231012 OXYLYZSVDBBZGD-FFKWVLBGSA-N 399.480 0.490 0 1 GCAF CNC(=O)N(C)c1ncn(C)c1CN(C)Cc1c(N(C)C(=O)NC)ncn1C 2356876505 ZLFNHUDRRBAUSN-UHFFFAOYSA-N 391.480 0.337 0 1 GCAF CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N(C)C)O[C@@H](CO)[C@@H]1O2 95900375 QAHMIWPLJULOCY-GKTLAZJLSA-N 391.468 0.659 0 1 GCAF Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N4CCNCC4)cc3)nc12 169310128 RMVSGWFTFSXFIS-UHFFFAOYSA-N 388.457 0.404 0 1 GCAF Oc1cc(O)cc(/C=C/c2ccc(O)c(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c2)c1 238755497 OKLZAYMBKSZPIL-RSIBFYFHSA-N 376.361 0.792 0 1 GCAF COc1cc(C(O)(O)[C@H](CO)Oc2ccc(C=CCO)cc2OC)ccc1O 2356369954 VXAKPNOOKYUAKD-IBGZPJMESA-N 392.404 0.992 0 1 GCAF CCC=CC[C@@H]1[C@H](CC(=O)OC)CC[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356543326 OCFKHNFJQZMGMS-VODSQIEYSA-N 388.457 0.117 0 1 GCAF Cc1csc(NC2=NC(=O)[C@@H](N(C)C(=O)C[C@@H](N)CCCCN)CN2)n1 26578524 IRXOGFFUWYGYJQ-RYUDHWBXSA-N 381.506 0.023 0 1 GCAF CC(=O)OCC1=C2/C(=C\[C@]3(C)CC[C@@](O)(O3)[C@](C)(O)C[C@@H]2OC(C)=O)OC1=O 43769423 GSADBENAXUTZTK-VRRZBNCBSA-N 396.392 0.631 0 1 GCAF C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(N[C@@H]4C[C@@H]5CC[C@@H]4C5)ncnc32)[C@@H]1O 101681883 KBNSRPJFNUFVDB-XKBYLJKMSA-N 375.429 0.428 0 1 GCAF O=C(O)[C@@H](O)[C@@H](O)c1nc2c(I)cnc(Cl)c2[nH]1 586886237 DZPZIQYSEQWVBS-RITPCOANSA-N 383.529 0.695 0 1 GCAF COc1cc([C@H](O)[P@](=O)(O)CC[C@@H](N)C(=O)O)ccc1OCC(=O)O 1772617353 LNLCIHWIBXKXQU-YMTOWFKASA-N 377.286 0.222 0 1 GCAF CO[C@H]1[C@H](OC(=O)CNC(C)=O)[C@@H](C(C)=CC=C[C@H](O)[C@@H](C)O)OC[C@H]1C 2356801129 RJLXEVMSZRQSPQ-ZWBRWBLLSA-N 385.457 0.328 0 1 GCAF Cc1nc2ccc(N[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)cc2c(=O)n1-c1ccccc1 5541651 PEZKKVKHQLCXFX-YRXWBPOGSA-N 383.404 0.545 0 1 GCAF O=C(C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCc1ccncc1 95797229 GKLMDXAFJCNXRK-BZSNNMDCSA-N 391.468 0.539 0 1 GCAF O=C(NCC1(COc2cnccn2)C[C@@H](O)[C@H](O)C1)c1nc2ccccc2[nH]1 2356300872 UOWVJNMMOIJVAV-HUUCEWRRSA-N 383.408 0.664 0 1 GCAF C[C@](O)(C[C@@H]1C[C@@](O)(CO)C(=O)O1)[C@@H]1COc2ccc3ccc(=O)oc3c2O1 14927534 GOTGCQAKGMYEPD-LYXXURBMSA-N 392.360 0.113 0 1 GCAF biogenic CC(C)[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O 39812268 RGMLUHANLDVMPB-IKGGRYGDSA-N 392.500 0.396 0 1 GCAF biogenic CN[C@@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccccn1)C(C)C 59201457 UMKKZVBSRXLEFJ-BHYGNILZSA-N 389.500 0.438 0 1 GCAF N[C@@H](Cn1c(=O)n(Cc2ccsc2C(=O)O)c(=O)c2cscc21)C(=O)O 66166242 LSNSPQPOGKSTHQ-VIFPVBQESA-N 395.418 0.445 0 1 GCAF in-vitro C[C@H]1O[C@@H](n2cnc3c(N)nc(O[C@H]4CC(F)(F)C4(F)F)nc32)[C@H](O)[C@@H]1O 73223057 BRGKIZPCCMIWNW-LCXRSGMBSA-N 393.297 0.469 0 1 GCAF COCCN1CN(Cc2ccc(F)cc2)n2cc(C(=O)O)c(=O)c(O)c2C1=O 140965843 LKDWXKYMZLSQQA-UHFFFAOYSA-N 391.355 0.589 0 1 GCAF CC1(C)S[C@@H]2[C@H](NC(=O)COCC(F)(F)C(F)F)C(=O)N2[C@H]1C(=O)O 238782551 CNVCPDWBMOBOSW-BKPPORCPSA-N 388.339 0.535 0 1 GCAF NS(=O)(=O)c1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1 40893925 CQJNMJGRRCUCMQ-UHFFFAOYSA-N 379.423 0.229 0 1 GCAF CC1=C(c2ccc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)CN2CCC[C@H]2C1 2356563125 QUYDWYUNUYQKBM-ADWMHYPASA-N 391.464 0.507 0 1 GCAF COc1cc(C=CC(=O)O[C@@H]2[C@H](C)O[C@H](O)[C@H](O)[C@H]2OC(C)=O)ccc1O 2356565245 SQIGDVPANOZNPA-ZQZLIZHXSA-N 382.365 0.356 0 1 GCAF CC=C(C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@]3(O)[C@H](C)OC(=O)[C@H]3C)[C@@H]12 2356643249 LZKFLVDOCDILCY-HIRSSSGKSA-N 393.436 0.734 0 1 GCAF COCC(=O)N1CC[C@@H]2CC(=O)N([C@H](Cc3ccccc3)C(N)=O)CC[C@@H]2C1 2356871215 XYOPJSFXBYTGRP-KZNAEPCWSA-N 387.480 0.817 0 1 GCAF C[C@@H]1C(=O)N(CCO)CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F 14958875 HTSLDXVXLFGMNX-DGCLKSJQSA-N 387.402 0.806 0 1 GCAF CC[C@@H](C)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)NCC(C)C)C(=O)N1CCC[C@H]1C(=O)O 26836479 HXRQFZARHUWLAH-QTVXIADOSA-N 397.472 0.133 0 1 GCAF CC(C)CCc1ccc2ncc(OC(=O)[C@@H]3O[C@@](O)(CO)[C@H](O)[C@H]3O)[c-]2c1 85569278 JCDUZXSFAMIBQN-FAJBIJEISA-N 378.401 0.249 0 1 GCAF biogenic,in-vitro CC(C)(CC(=O)Nc1c[nH]cc(C(=O)O)c1=N)NC(=O)[C@H]1CC[C@@H](N)CC1 1911572007 MIYVVXQUKPKZDN-PHIMTYICSA-N 377.445 0.933 0 1 GCAF CS(=O)(=O)c1ccc(CN[C@@H]2CO[C@@H](CNC(=O)C3CCCC3)[C@H]2O)cc1 2356309104 AAQMYXGDTZFTOP-SQNIBIBYSA-N 396.509 0.614 0 1 GCAF CCOP(=O)(COCCn1nc(Br)c(=O)[nH]c1=O)OCC 1647355 RDRMWRHEXKLCQH-UHFFFAOYSA-N 386.139 0.934 0 1 GCAF O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 6909515 CBRJQKFFKGKWNC-OAHLLOKOSA-N 383.360 0.208 0 1 GCAF biogenic OC[C@H]1O[C@@H](n2c(Cl)nc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 13643675 DEYFUYKBEXDSSK-SDBHATRESA-N 377.788 0.835 0 1 GCAF O=C(NCCS(=O)(=O)O)[C@H]1CCCN(C(=O)CCC2CCNCC2)C1 26467481 LFYLTYVDSAKZFS-AWEZNQCLSA-N 375.491 0.009 0 1 GCAF NS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)O)[C@H](O)c2ccccc2)ccc1Cl 29478942 SXKLDLUTTVQFGK-UONOGXRCSA-N 398.824 0.904 0 1 GCAF CN[C@@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccncc1)C(C)C 59201464 ORIKUNAARFWEHA-BHYGNILZSA-N 389.500 0.438 0 1 GCAF CC(=O)N1[C@@H]2c3cccc(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccc1 95665123 WHODQEYNDHJBRU-YAJHFMINSA-N 381.432 0.675 0 1 GCAF CC(C)N(C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1S(C)(=O)=O)C(=O)CN(C)C 95895828 KFSCSKZDNNPRDI-LMMKCTJWSA-N 397.541 0.574 0 1 GCAF COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OC[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 299845839 JPDQRHRHTFZMHU-NOFUGJFLSA-N 398.456 0.452 0 1 GCAF C=CCNC(=O)N[C@@H]1CCN(C(=O)C=C(C)C)[C@@H]1C(=O)NCCCC(=O)OC 25174176 JHYGNVHWUPAMNT-PBHICJAKSA-N 394.472 0.477 0 1 GCAF biogenic CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc4c(c3)CCO4)[C@@H]2SC1 40488895 YWNGHNYMFUOGEL-XNJGSVPQSA-N 389.433 0.380 0 1 GCAF CC[C@H]1CN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2OC)CCN1 64453461 CEJXJPIDMRXQSQ-JTQLQIEISA-N 377.420 0.548 0 1 GCAF Cn1nccc1S(=O)(=O)Nc1ccn2ncc(C(=O)NC(C)(C)C)c2n1 113756470 TXLKGLIVYSFVAR-UHFFFAOYSA-N 377.430 0.792 0 1 GCAF in-vitro CC(=O)Nc1ncccc1OCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 218920848 WNCDPWCCQCZNHO-SFHVURJKSA-N 398.463 0.954 0 1 GCAF C/C=C1/CC[C@@](C)(OC(C)=O)C(=O)OC[C@@]2(O)CCN3CC[C@@H](OC1=O)[C@H]32 238762587 KRKINVRNNSVEHD-SQAASROHSA-N 381.425 0.712 0 1 GCAF C[C@]12CC[C@@H](O)C[C@H]1[C@@H](O)C[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@H]12 255286518 YZEJGGKLJNZFGY-AJCWIXBSSA-N 382.497 0.624 0 1 GCAF N=C(N)c1ccc(C[C@@H](N)C(=O)Nc2cccc(C(=O)NCCC(=O)O)c2)cc1 13730661 BBTXJCGFPCHCFR-MRXNPFEDSA-N 397.435 0.684 0 1 GCAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc4c(c3)CCO4)[C@H]2SC1 40488893 YWNGHNYMFUOGEL-PBFPGSCMSA-N 389.433 0.380 0 1 GCAF O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1)c1cnccn1 95903350 GFEYRJOTZRKGCS-INMHGKMJSA-N 376.457 0.811 0 1 GCAF CC(=O)c1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2c1 587218191 FOVVFPQICQTJLK-PWSUYJOCSA-N 376.369 0.590 0 1 GCAF Nc1ncnc2c1c(-c1ccc(Cl)cn1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1857604812 RWDQSSUIMJQEHO-XNIJJKJLSA-N 377.788 0.340 0 1 GCAF O=C(CN1CCOCC1)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO 95903440 DICINUGHTLCIMB-RCCFBDPRSA-N 397.516 0.040 0 1 GCAF COCc1cn(CC[C@H]2CC[C@H](NC(=O)Cc3cccnc3)[C@@H](CO)O2)nn1 95907038 CPRKXMBGMLHECS-FGTMMUONSA-N 389.456 0.477 0 1 GCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](N)[C@@H](O)[C@H](O)CCO)N1 587749012 ZNNXOBZRUPPDAI-PITGVPIRSA-N 377.254 0.595 0 1 GCAF CC(=O)[C@@H]1CC[C@@]2(O)[C@]3(O)CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)[C@@H](O)[C@]12C 2356437587 YPRCAVDVWFBBHU-SKAQKNQVSA-N 382.497 0.767 0 1 GCAF COc1cccc(CN2C[C@@H](C(=O)NCCN3CCOCC3)CCC2=O)c1 36384023 CBSFREATEGAYTI-KRWDZBQOSA-N 375.469 0.882 0 3 GCAF NCC(=O)N[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 29473492 YMHQGKIKICGBIA-SECBINFHSA-N 389.387 0.222 0 1 GCAF CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)NCCC(C)C)[C@H](O)[C@@H]1O 40939908 VWDBSJRMLYGOFR-DZHLUBAWSA-N 398.851 0.303 0 1 GCAF N=C(N)N[C@H]1C[C@@H](NC(=N)N)[C@H](Oc2ccccn2)C[C@@H]1Oc1ccccn1 52565371 FOXXJAFIUUSCMK-KPWCQOOUSA-N 384.444 0.169 0 1 GCAF CS(=O)(=O)Nc1cccc(-c2cnc(N)c(C(=O)N3CCC(O)CC3)n2)c1 84596742 KEJXYSKAAOKKSD-UHFFFAOYSA-N 391.453 0.694 0 1 GCAF CCS(=O)(=O)N[C@H]1C=C[C@H](CC(=O)NCc2ccc(F)cc2)O[C@H]1CO 95676481 UJYSKGJHSGHRSS-PMPSAXMXSA-N 386.445 0.456 0 1 GCAF O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1)C1CC1 95904038 KCJLPEXOQNKRCT-BZSNNMDCSA-N 396.509 0.931 0 1 GCAF CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@]2(O)CO 96903134 JRLMORJQWUCKFI-XESGGTJHSA-N 390.432 0.466 0 1 GCAF O[C@H](COc1cccc2c1C[C@H](O)[C@H](O)C2)CN1CCN(c2ccccn2)CC1 169319504 RDDYGJULBXAGJZ-SXLOBPIMSA-N 399.491 0.464 0 1 GCAF C[C@](O)(C[C@@H]1C[C@](O)(CO)C(=O)O1)[C@H]1COc2ccc3ccc(=O)oc3c2O1 257427524 GOTGCQAKGMYEPD-CLWWGOANSA-N 392.360 0.113 0 1 GCAF Cc1cnc(Cl)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc12 587218406 IZPNLDGGUHIBHE-JGVFFNPUSA-N 383.792 0.744 0 1 GCAF CCOc1cc2c(c(OCC)c1OCC)C(=O)N[C@@H]1[C@@H]2C[C@H](O)[C@@H](O)[C@@H]1O 1857605886 OPDPPBBQKFXLGP-LZYVBGRKSA-N 381.425 0.565 0 1 GCAF COc1ccc(CN2CC3(C2)C(=O)N(C)C(=O)[C@H]2C[C@@H](O)CN23)c2ccccc12 2356290121 JYSWAZHOWAMRAD-CRAIPNDOSA-N 395.459 0.837 0 1 GCAF CNC(=O)[C@H](c1ccccc1OC)N1CCC[C@H]1C(=O)NCCNC(C)=O 2356298925 KKKYLZGMXRTUKP-RDJZCZTQSA-N 376.457 0.199 0 1 GCAF CC(C)(C)CC(=O)NC[C@@H]1OC[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@@H]1O 2356353435 NZTCSRMJFQIAMY-RYRKJORJSA-N 398.525 0.860 0 1 GCAF O=C(O)C1=C(/C=C/[N+](=O)[O-])CS(=O)(=O)[C@H]2/C(=C\c3ccccn3)C(=O)N12 27986006 CPUGVYYSHKTHTN-DSTBOXFUSA-N 377.334 0.191 0 1 GCAF COC(=O)/C=C/C1=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)[C@H]2S(=O)(=O)C1 27987151 PAQWLZPDZMNRLY-ORKVWHIMSA-N 390.373 0.130 0 1 GCAF COCC(=O)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)Nc3cc(OC)cc(OC)c3)CO[C@@H]21 36356261 MVAHBCMPEPEHTE-YALNPMBYSA-N 396.396 0.550 0 1 GCAF biogenic CC1(C)O[C@@H]2[C@H](CCP(=O)(O)O)O[C@H](c3nc(C(N)=O)cs3)[C@@H]2O1 73291836 SOEARYYVKAIDJY-JLIMGVALSA-N 378.343 0.770 0 1 GCAF COc1ccccc1-c1ccc2n(c1=O)C[C@H]1[C@@H]2N[C@@H](C(=O)N(C)C)[C@@H]1CO 95881131 IWNNAGKIJXLTOS-VVWQDTPRSA-N 383.448 0.863 0 1 GCAF Cc1cc(Cl)cc2nc(C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c12 587218784 LJZOBWPYKSCFEC-UWVGGRQHSA-N 382.804 0.829 0 1 GCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](C)O)N1 587829013 PTGLJQVMVILWNZ-RZZRMAMFSA-N 378.238 0.627 0 1 GCAF CC(=O)N1CCC(N2CC3(CN(C(=O)C(C)C)C[C@H]4COCCN43)C2)CC1 2356288266 ZIGCVXMKMVFBHR-SFHVURJKSA-N 378.517 0.251 0 1 GCAF CC(=O)c1cc2c(c(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c1)OC(C)(C)C=C2 2356398556 VSCOBLYPRBJVFK-OCABDXPQSA-N 380.393 0.252 0 1 GCAF CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O 13678667 UUDKVUOONJCNHM-AEISUSGSSA-N 398.876 0.526 0 1 GCAF Nc1ncnc2c1nc(SC1CCCCC1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 13743494 QQFLKGATWRIYHZ-SDBHATRESA-N 381.458 0.445 0 1 GCAF CC(=O)[C@@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C 34582515 LJLXEAWGZFDUAP-ZYEUKROFSA-N 380.481 0.687 0 1 GCAF O=C(Nc1ccc(F)cc1)N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO 95675123 TXBZUYXXZRGZTP-GVDBMIGSSA-N 393.415 0.881 0 1 GCAF NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1c1ccccc1 113490244 VHMDRYLVGFQCNJ-DLBZAZTESA-N 379.416 0.964 0 1 GCAF COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@]1(O)Cc1cc(C(N)=O)c(=O)[nH]c1C3 218958179 PKYJFXRUYYWOEK-STZQEDGTSA-N 395.459 0.510 0 1 GCAF Nc1nc(O)c2cc(CC(=O)NCCCCC(=O)NCc3cccnc3)[nH]c2n1 299863735 PTKFFXYVSCEYJU-UHFFFAOYSA-N 397.439 0.786 0 1 GCAF O=C(N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@H](O)[C@@H]1O)c1ccc2c(c1)OCO2 2356295687 XBXVIYUQDGSNFC-COCCGSRQSA-N 386.408 0.425 0 1 GCAF COCC(=O)N[C@H]1CCC[C@@H](C(=O)N(C)Cc2cccnc2)CC(=O)N(C)C1 2356299149 ZFHXJXJGPFCYST-SJORKVTESA-N 390.484 0.820 0 1 GCAF CCO[C@@H]1S[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2356737417 QTRWNIJHUWXNNR-LYYZXLFJSA-N 392.426 0.823 0 1 GCAF O=C(C=Cc1cc(O)c2ccoc2c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O 2356768083 JXPVQQNXOSCHEE-BQUDOFGOSA-N 378.333 0.395 0 1 GCAF OCC(CO)OCn1cc(I)c2c(NO)ncnc21 26143788 YWVXVZIHFIURBJ-UHFFFAOYSA-N 380.142 0.164 0 1 GCAF N=C(N)c1cccc(NC(=O)Nc2ccc(S(=O)(=O)NCCO)cc2)c1 28101436 PKOSKFSOVZSAJM-UHFFFAOYSA-N 377.426 0.885 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(CSc4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1O 29058660 GKFICWXISYONQL-DNNBLBMLSA-N 392.412 0.869 0 1 GCAF CS(=O)(=O)c1ccc(OC[C@@H]2C[C@H](NCc3nccs3)[C@H](O)[C@H]2O)cc1 2356294888 RWJUNVMMKBMPCH-GQGQLFGLSA-N 398.506 0.826 0 1 GCAF O=C(NC[C@@]1(COc2cnccn2)C[C@H](O)[C@H](O)C1)c1nc2ccccc2[nH]1 2356300875 UOWVJNMMOIJVAV-QWHZDKJVSA-N 383.408 0.664 0 1 GCAF COc1cc2ccoc2cc1C=CC(=O)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O 2356589937 YSQPHHHONAVPLE-IQRRUJBNSA-N 392.360 0.698 0 1 GCAF CN1[C@H]2CCN(CC(C)(C)C)[C@@H]2C(=O)NC[C@H]1CCC(=O)N1CCC(O)CC1 2356866466 VNIALWDHFSGBMY-AYBZRNKSSA-N 394.560 0.669 0 1 GCAF Cc1ccccc1CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NC(C)C 199236723 XXAMJJIOLGORLP-SFHVURJKSA-N 381.498 0.882 0 3 GCAF CCCN(CCC)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(=O)C(F)(F)F 3933032 JIDKYDTZYFDAFZ-JMJZKYOTSA-N 381.351 0.377 0 1 GCAF OC[C@@H]1O[C@@H](n2cnc3c(NC4CC4)nc(Nc4ccccc4)nc32)[C@@H](O)[C@@H]1O 29408582 ZLCOZSQRGIVSFD-WLLUSJSYSA-N 398.423 0.756 0 1 GCAF Cc1cccc(C)c1NC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 33827544 JDGMEVRYMLSADF-MOROJQBDSA-N 384.396 0.283 0 1 GCAF CCOC(=O)NCc1ccc(O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]2O)cc1 38557494 VMTHKXYSTHHGCH-DXJAZKPLSA-N 383.397 0.710 0 1 GCAF Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2cccnc2)n[nH]1 144079913 JDKJKCDNSKZJDD-UHFFFAOYSA-N 380.412 0.419 0 1 GCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)N1 587829011 PTGLJQVMVILWNZ-IKWYMEDFSA-N 378.238 0.627 0 1 GCAF O=c1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2OC2Sc3ccccc3S2)c(=O)[nH]1 28458185 IAAUCXKZVFNSMT-DGJRKYIQSA-N 396.446 0.354 0 1 GCAF OC[C@@H]1O[C@H](n2cnc3c(N[C@H]4CCCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 36271814 DXHLGWYQWDVEAA-ZUJMOGDFSA-N 397.435 0.927 0 1 GCAF NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)O 38308316 ZVRJWDUPIDMHDN-ULQDDVLXSA-N 390.484 0.246 0 1 GCAF biogenic CCN1CN(Cc2cn(CC(=O)c3ccccc3F)nn2)S(=O)(=O)N1CC 45338079 PXJNZNLEUNBWKJ-UHFFFAOYSA-N 396.448 0.877 0 1 GCAF CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CCOCC2)O1 95887399 MWTQFHHONBVRQP-VQHPVUNQSA-N 384.473 0.075 0 1 GCAF CC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)C3=C[C@@H]4NC=C[C@H]4N=C3)CC1)C2 261191976 ZMPVRIFDVCHSNA-SJORKVTESA-N 394.479 0.976 0 1 GCAF CCOc1cc2c(c(OCC)c1OCC)C(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](O)C[C@H]21 1857605887 OPDPPBBQKFXLGP-MOEWQIFZSA-N 381.425 0.565 0 1 GCAF COC1=C(Br)[C@H](O)[C@]2(C=C1Br)CC(C(N)=O)=NO2 13450371 KQYZOOUJAWUDAP-WPRPVWTQSA-N 382.008 0.893 0 1 GCAF biogenic CCCCn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@@]3(C)O)c3ncnc1c23 27103408 QSMMQCVYEQAVAV-YNSJJWNHSA-N 376.417 0.165 0 1 GCAF CNC(=O)[C@@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H](O)[C@@H]1O 40422011 AOOYJVBMRQULKJ-KIGUWFBYSA-N 396.835 0.199 0 1 GCAF CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CNC(=O)CN1CCOCC1 95895174 ZFUOFKKSDQWECY-MBOZVWFJSA-N 375.469 0.200 0 1 GCAF COC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1C(C)(C)[C@@H]2CC[C@]1(C)C2 103041967 BCISGTOXCLDNRV-IMJUCUGISA-N 384.429 0.204 0 1 GCAF CC(C)(C)C(=O)OCO[P@](=O)(O)COCCOc1cc(N)nc(N)n1 1772601629 NFXUNWFXDAJGIU-UHFFFAOYSA-N 378.322 0.743 0 1 GCAF O=C(NC[C@@H]1O[C@H](CC(=O)N2CCc3ccccc32)[C@H](O)[C@H]1O)C1CCCC1 2356319517 KUJYBCPQFBNBAV-UMGGQSCQSA-N 388.464 0.761 0 1 GCAF COc1cc(O)c2c(c1)C1=C[C@](O)(C[C@H](O)C(=O)O)[C@@H](O)C[C@@]1(C)OC2=O 2356865047 WIZGYSRDXJJKDZ-UHIXZJCNSA-N 380.349 0.045 0 1 GCAF CC(=O)OC[C@H]1C[C@H](n2cc(Br)c(=O)[nH]c2=O)[C@H](OC(C)=O)C1 29392052 FYHUGDOHZFPYND-ZMLRMANQSA-N 389.202 0.745 0 1 GCAF COC(=O)[C@H](CO)[C@@H]1C=C2[C@H](CC1)[C@@]13CO[C@@]2(O)[C@H](O)[C@@H]1C(C)(C)CC[C@@H]3O 2356413985 CXWSMSXODSNXPC-VEFOHJLNSA-N 396.480 0.597 0 1 GCAF COCCNC(=O)[C@@H]1CCC[C@H](NC(=O)c2cccnc2)CN(C)C(=O)C1 2356462146 HPBMAESUNBLLJX-ZBFHGGJFSA-N 376.457 0.591 0 1 GCAF CCN(C)[C@@H]1CN(Cc2cn(Cc3ccc(OC)cc3)nn2)S(=O)(=O)C1 96020992 VBFJQDGJVVWGGK-MRXNPFEDSA-N 379.486 0.801 0 3 GCAF COC(=O)Cn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@@H](C)N2 82207052 OKFRVFBGQHIVDR-SNVBAGLBSA-N 388.380 0.307 0 1 GCAF C[C@]12[C@H](O)C[C@@H](O)C[C@H]1CC[C@@H]1[C@H]2C(=O)C[C@@]2(C)[C@@H]1CC[C@]2(O)[C@H](O)CO 255223987 KSKRJBLNVSEHHN-QZASQBSDSA-N 382.497 0.624 0 1 GCAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](N)CP(=O)(O)O)[nH]c2c1 586919675 DJPXQTCPSVSQLE-JTQLQIEISA-N 376.375 0.819 0 1 GCAF CCOC(=O)[C@@H]1C(=O)C[C@@H](C(=O)OCC)c2nc3nc(O)nc(O)c3cc21 587559490 JGOAQXXCIDMPKS-KCJUWKMLSA-N 375.337 0.702 0 1 GCAF O=C1CCN(c2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)CCN1 653730610 YJCDNUFWJYRFFI-UHFFFAOYSA-N 394.439 0.578 0 1 GCAF O=C(O)[C@H]1O[C@H](O[C@H]2c3cc4ccccc4cc3C=C[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356668642 XDINSFLXNJMABQ-AFCDYEOJSA-N 388.372 0.177 0 1 GCAF CCCCNC(=O)NCCNC[C@@H](O)COc1ccccc1OCC(=O)NC 27106552 WUEFDLHMWGFVDG-OAHLLOKOSA-N 396.488 0.240 0 1 GCAF CCCCC[C@@H](C[C@H](O)NO)[C@@H](O)N[C@@H](C(C)C)[C@@H](O)N1CCC[C@@H]1CO 27428476 AZKGCXCHQXZSHC-XNIJUTNWSA-N 391.553 0.578 0 1 GCAF CC[C@H](C)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)NCC(C)C)C(=O)N1CCC[C@@H]1C(=O)O 28635656 HXRQFZARHUWLAH-AICCOOGYSA-N 397.472 0.133 0 1 GCAF CN(C)CC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO 95907169 MWWNFIBCXYYYCA-YESZJQIVSA-N 397.903 0.933 0 1 GCAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1 586946378 WGONIGLCCKYGCK-UHFFFAOYSA-N 384.439 0.828 0 1 GCAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3cccnc3)[C@H](O)[C@H]2O1 2356290090 JLLYMIXLEZBFTM-QZLJAVCYSA-N 378.429 0.404 0 1 GCAF C[C@@]12C[C@H](C(=CC(=O)O)CO)OC(=O)[C@]1(O)C[C@@H]1OC(=O)C3=CC=C[C@H]2[C@]31C 2356524683 BHPYMXFPBKYXKF-NHBIHHOQSA-N 390.388 0.490 0 1 GCAF O=C(O)[C@H]1O[C@H](O[C@H]2c3cc4ccccc4cc3C=C[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356668644 XDINSFLXNJMABQ-RREGROQYSA-N 388.372 0.177 0 1 GCAF CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)CO[C@H]12 4235789 VMIJHGBLKHRDRI-REWJHTLYSA-N 390.845 0.899 0 1 GCAF biogenic Cc1csc(N2CCN(C(=O)[C@@H]3CN[C@H](C(=O)N4CCCC4)C3)CC2)n1 29130817 QOKSEPRQIMJQDD-GJZGRUSLSA-N 377.514 0.701 0 1 GCAF CCOC(=O)[P@](=O)(OC)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O 29546300 ARFOILFYFMIVQZ-UBLJGYOVSA-N 378.274 0.198 0 1 GCAF OC[C@H]1O[C@]2(OCc3ccc(Cc4ccc(F)cc4)cc32)[C@H](O)[C@@H](O)[C@@H]1O 38224810 ZHSQCWICOOMBIT-OBKDMQGPSA-N 376.380 0.573 0 1 GCAF COC(=O)Cn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@H](c1ccccc1)CN2 82210544 ZLBHADONKKEOER-ZDUSSCGKSA-N 384.392 0.546 0 1 GCAF N=C(N)c1cccc(S(=O)(=O)NCCC(=O)Nc2ccc(C(=O)O)cc2)c1 95564815 QGMAWMBFRGKCKI-UHFFFAOYSA-N 390.421 0.976 0 1 GCAF COC(=O)c1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1F 95576104 FQCKWXYGQSRKDC-UHFFFAOYSA-N 390.371 0.713 0 1 GCAF O=C(NCCCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)OCc1ccccc1 95592231 JFFCOMHANLMQEI-YDZRNGNQSA-N 396.484 0.232 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3CCC(F)(F)CC3)[C@@H](O)[C@@H]2O1 2356503890 XPOHKXZUDWVIEA-AZGDMVHKSA-N 392.443 0.592 0 1 GCAF CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCN(c2ncccn2)CC1 20531816 ISRVQOOFCRMJMC-UHFFFAOYSA-N 399.451 0.380 0 1 GCAF O=C1[C@H](O)[C@@H](COP2OCCC(F)(F)O2)O[C@H]1N1C=C(F)C(O)=NC1 28636241 XVUZHLKIGHUYAH-OPEKSCHISA-N 386.219 0.955 0 1 GCAF CCOC(=S)NCc1ccc(O[C@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@H]2O)cc1 85877564 NZQNGCULBWTLGQ-MJQUHVBXSA-N 399.465 0.875 0 1 GCAF in-man CC(C)(C)[C@@H](O)C(=O)N1CCNC[C@H]1C(=O)NCc1cc(Cl)ccc1CN 103269072 ZRDPCADUQGGZIN-HOTGVXAUSA-N 396.919 0.622 0 1 GCAF O=C(N[C@@]12C[C@@H]1CN(c1nc(Nc3cnn(CCO)c3)ncc1F)C2)C1CC1 1911578259 GYRPAYDYHMZXQT-KZULUSFZSA-N 387.419 0.653 0 1 GCAF COC[C@H](OC)[C@](COC)(CO[C@@H]1O[C@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC)OC 2356638249 WSWUBQXBQBTOJS-PDRFWJTDSA-N 396.477 0.486 0 1 GCAF CC(C)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(C)C)C(=O)O 2356791185 ILGZHNBKJDGUCP-XDQVBPFNSA-N 388.461 0.301 0 1 GCAF O=C(C1CCNCC1)N1CCN2C(=O)N(CCc3cccs3)C(=O)[C@H]2C1 5433729 UVYCHWZRLXQUGP-OAHLLOKOSA-N 376.482 0.765 0 1 GCAF biogenic CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)([C@H](C)O)C(C)(C)O)[C@@H]12 15149044 XQRINBJLKOBTMI-AXWIHUDSSA-N 397.468 0.305 0 1 GCAF biogenic CC[C@@H]1NC(=O)[C@H]2C[C@H](NS(=O)(=O)c3ccc(Cl)cc3)CCN2C1=O 36355669 YTYFPVKSZQUULX-KWCYVHTRSA-N 385.873 0.886 0 1 GCAF biogenic CCN(CC)c1nc(N)nc2c1ncn2C[C@@H](CF)OCP(=O)(O)O 71319172 YUGPVYOFDUMEBM-SECBINFHSA-N 376.329 0.745 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)C(C)(C)C2 85812421 QFXWNTWJLHHEKX-FXTJJVCJSA-N 394.464 0.427 0 1 GCAF in-man CCS(=O)(=O)N1CC2(CN[C@H](CO)c3c2c2ccc(OC)cc2n3C)C1 95663584 NQQWMHQFBTYKIQ-CQSZACIVSA-N 379.482 0.727 0 1 GCAF C[C@@H](O)[C@H]1C(=O)N2[C@@H]1[C@@H](C)[C@@H](SC1CN(c3nccs3)C1)[C@@H]2C(=O)O 98208022 YKLAKHLDAXNBOF-IOJHDDLYSA-N 383.495 0.744 0 1 GCAF in-vitro CC(C)(CO)CNc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 144984986 RPVLQBKRAOUJPG-WZUFQYTHSA-N 386.416 0.309 0 1 GCAF C[C@H]1CC[C@H]2[C@@H](C=C[C@H]3[C@@H]2C(=O)[C@]24C(=O)N(C)[C@H](CO)[C@@]2(O)O[C@@H](C)[C@H]34)C1 238788550 UZVYFDUZOXCUAP-XUBZIESDSA-N 375.465 0.967 0 1 GCAF COC(=O)C12CC([C@]3(C)c4[nH]cnc4C[C@H]4C(=O)N5CCC[C@H]5C(=O)N43)(C1)C2 963221087 VZZKWHAEHHALNG-VOABLHDESA-N 384.436 0.726 0 1 GCAF CC(=O)OC[C@H]1O[C@@H](NS(=O)(=O)c2ccc(O)cc2)C=C[C@@H]1OC(C)=O 1857555535 OQMLCDBLTFXKNA-ARFHVFGLSA-N 385.394 0.446 0 1 GCAF CC(=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12)CO 2356574940 UKPSUWZPUAENNH-UQWBFEFOSA-N 397.468 0.162 0 1 GCAF CCOP(=O)(OCC)[C@@]1(O)C[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO 5839211 CBBQEZRNJNAFQF-SUNKGSAMSA-N 378.318 0.080 0 1 GCAF COc1cc2c(cc1C(=O)O[C@H]1C[C@@H](O)[C@H](O)[C@H](CO)O1)C=CC(C)(C)O2 85511909 YJUJLRYCXFHYKX-ZCPGHIKRSA-N 380.393 0.865 0 1 GCAF biogenic,in-vitro CCN1CCOC[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C 89774370 BPIDGVSXOXALBF-AWEZNQCLSA-N 390.415 0.948 0 1 GCAF CN(C)CC(=O)N[C@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO 95907369 RJRBPHDBUORXJM-SOLBZPMBSA-N 379.505 0.912 0 1 GCAF COc1cccc(CN2CCN(CCNC(=O)CSCC(=O)O)CC2)c1 102190638 YQGUIUNXAUUXIY-UHFFFAOYSA-N 381.498 0.747 0 1 GCAF CCS(=O)(=O)N1CC[C@H](n2cc(Oc3nc(=O)c4ccncc4[nH]3)cn2)C1 222659520 DQKJPEFRHKBNRV-NSHDSACASA-N 390.425 0.903 0 1 GCAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)O[C@H]([C@@H](O)CO)[C@@H]1OCC 587485900 KILZSTGLZNHZSZ-RUENVJTFSA-N 380.393 0.732 0 1 GCAF COC(=O)C12CC([C@@]3(C)c4[nH]cnc4C[C@H]4C(=O)N5CCC[C@H]5C(=O)N43)(C1)C2 963221085 VZZKWHAEHHALNG-HKFHQUGLSA-N 384.436 0.726 0 1 GCAF OC[C@H](O)CNC[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O 2356287245 FPWXBMGMPKHOIB-NTDBWNAOSA-N 380.416 0.875 0 1 GCAF O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)ccc12 2356840606 MSQFDKZOYDQJAV-GSEOLPGOSA-N 386.356 0.983 0 1 GCAF CCCS(=O)(=O)N1CCC(CNC(=O)CC)(C(=O)N2CCOCC2)CC1 40752809 NSEVOTMLGZQAFF-UHFFFAOYSA-N 389.518 0.193 0 1 GCAF CC1=C([C@H](C)CO)C[C@@]2(O)[C@@]3(C)CC(=O)O[C@@H]4[C@@H](C)CC[C@@]3(O)[C@@]4(O)[C@@]12O 238738878 WEMMFYQBUDJVPE-QDJFGCNTSA-N 382.453 0.025 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cccc(C(=O)O)c2[nH]1 587218575 HGPAWZHHHBDHGL-PSASIEDQSA-N 378.341 0.085 0 1 GCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3cccnc3)[C@@H](O)[C@@H]2O1 2356312358 SXQMVBBDJGODJA-AZGDMVHKSA-N 378.429 0.405 0 1 GCAF CC1(C(=O)N2C[C@@]3(CC(c4ccccc4)=NO3)C[C@H]2C(=O)NCC(N)=O)CC1 8691375 VECSNXXUTGLSNQ-MGPUTAFESA-N 384.436 0.552 0 3 GCAF CC(=O)[C@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C 38857361 LJLXEAWGZFDUAP-IXHWIBSHSA-N 380.481 0.687 0 1 GCAF COC(=O)Cn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@@H](C(C)C)N2 82206751 WAUYPWRIRKULPP-LBPRGKRZSA-N 387.396 0.280 0 1 GCAF COc1c(C)cc(-c2c(O)ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2=O)cc1C 95557915 UJBGPVLOVQGUMD-NVQRDWNXSA-N 377.393 0.458 0 1 GCAF CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccn2)O1 95885210 GUUCMTFKPISCEI-CIRFHOKZSA-N 391.468 0.747 0 1 GCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C(=O)O[C@@H]2[C@@H](O)CO 587842053 OKJUQTGDQCYIPD-ODPXYURQSA-N 388.189 0.165 0 1 GCAF CCCCOC(=O)[C@]1(O)C[C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O1)[C@@H]2O 2356520136 BGDMQEYSPNKXHV-HLTONANMSA-N 380.393 0.793 0 1 GCAF C[C@H]1O[C@H](OC(C)(C)[C@@H]2Cc3cc4ccc(=O)oc4cc3O2)[C@@H](O)[C@@H](O)[C@@H]1O 14587250 HOSJGHRJSDQCPE-YIYPAWPRSA-N 392.404 0.719 0 1 GCAF endogenous,in-man Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)C(C)(C)C2 14683013 QFXWNTWJLHHEKX-ILCCUAOLSA-N 394.464 0.427 0 1 GCAF endogenous,in-man O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)C2)cc1/C=C/I 27637473 IVPBYJXSUIEMOB-PTFZSRKFSA-N 378.166 0.247 0 1 GCAF Nc1ccc(C(=O)NCCNC[C@@H](O)COc2cccc3c2OCCO3)cc1 29217830 SMVBESXFEDUWIT-MRXNPFEDSA-N 387.436 0.799 0 1 GCAF NC(=O)CNC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1 1857565591 MCLLJPAMZQZBCK-UHFFFAOYSA-N 392.419 0.600 0 1 GCAF CS(=O)(=O)c1ccc(OC[C@@H]2C[C@H](NC3CCOCC3)[C@@H](O)[C@@H]2O)cc1 2356293236 FAVNRBCWGRDFBB-DUOKCRBOSA-N 385.482 0.348 0 1 GCAF O=C1[C@@H]2C[C@H](O)CN2C2(CN(C3CCOCC3)C2)C(=O)N1Cc1ccccc1 2356519835 QVHKGRKUIKMYAV-ROUUACIJSA-N 385.464 0.224 0 1 GCAF NC(=O)CO[C@@H]1CO[C@@H]2[C@H](NS(=O)(=O)c3ccc4ccccc4c3)CO[C@@H]12 2356856594 SBNICJFKKXUXRA-AHCXZYCDSA-N 392.433 0.155 0 1 GCAF CN(C)c1ncnc2c1ncn2[C@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1O 15119405 VYBLJNNXIQJRSF-RGPZOAQRSA-N 385.424 0.728 0 1 GCAF Cn1cc(NC(=O)c2cc(NC(=O)CF)cn2C)cc1C(=O)NCCC(=N)N 27093127 ZAKDUWACQPGMRQ-UHFFFAOYSA-N 391.407 0.580 0 1 GCAF COCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O 28954106 RPBJCAXNIIFIFD-UHFFFAOYSA-N 382.225 0.936 0 1 GCAF COc1cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc2cc(C)c(C(C)=O)c(O)c12 45287924 AVYRWRRYPRHDJL-AZFSHXRASA-N 378.377 0.883 0 1 GCAF C[C@H]1CCC(NC(=O)[C@@H](N)Cc2nc(-c3ccc(O)cn3)no2)=C(C(=O)O)C1 71341750 VCTNNWHIGASZOC-CABZTGNLSA-N 387.396 0.982 0 1 GCAF CN(C)CCCNC(=O)C[C@@H]1CC[C@@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1 95676025 IHGRXRHOBYYXJU-RCCFBDPRSA-N 392.500 0.107 0 1 GCAF CCOC(=O)c1cnc(SCC(=O)c2cccc(S(N)(=O)=O)c2)nc1O 96940240 WVFQNCZNCJDNCF-UHFFFAOYSA-N 397.434 0.981 0 1 GCAF C[C@@H]1CO[C@@H]2C[C@@]34[C@@H]5C[C@@H](C(C)(C)C)[C@@]36[C@H](OC(=O)[C@@H]6O)O[C@]4(C(=O)O5)[C@@]12O 101121429 ODJBPMBBULFPKZ-SKJZZARCSA-N 394.420 0.133 0 1 GCAF CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 205313824 KYEAJBCDOXSFNK-NWDWQORHSA-N 392.235 0.577 0 1 GCAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCN(C4CC4)CC3)n2)cn1 221203565 VQILONAABBQXLT-HOTGVXAUSA-N 394.483 0.778 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc3ncccc3c2[nH]1 587220100 MOIOTACDEGKAEB-ZWNOBZJWSA-N 385.380 0.935 0 1 GCAF CS(=O)(=O)c1ccc(OC[C@@H]2C[C@H](NCc3nccs3)[C@@H](O)[C@@H]2O)cc1 2356294889 RWJUNVMMKBMPCH-HYEYJGRESA-N 398.506 0.826 0 1 GCAF CC[C@](O)(C(=O)OCc1ccc(NC(=O)CC[C@@H](N)C(=O)O)cc1)[C@@H](C)O 31167969 XTGDJPLFFWQLLE-YRILPIOLSA-N 382.413 0.382 0 1 GCAF biogenic CC(C)(C)CC(=O)NC[C@@H]1OC[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O 2356353436 NZTCSRMJFQIAMY-SOLBZPMBSA-N 398.525 0.860 0 1 GCAF CCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 2356743701 XXSHCJSIEFYOFQ-DGADGQDISA-N 376.358 0.106 0 1 GCAF CC(C)[C@@H]1C(=O)C(C)(C)C(=O)N1C(=O)[C@H](C)[C@H](O)[C@H](C)NC(=O)[C@@H](C)N(C)C 2356785694 ANARGESUVAEGNN-KHMAMNHCSA-N 397.516 0.427 0 1 GCAF CC(C)(Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 34230628 FEKCMDDMLYKDNY-NVQRDWNXSA-N 399.451 0.871 0 1 GCAF C[C@H](O)C(=O)N[C@@H]1CCN2C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@@H]2C1 36355819 XHLMGERLESEJAR-QOWREQOWSA-N 379.844 0.238 0 1 GCAF biogenic O=C(N[C@H]1CCNC1)c1cn2ccnc2c(N2CCN(c3ccccn3)CC2)n1 40567007 CWRMTGCEJKRBNV-HNNXBMFYSA-N 392.467 0.543 0 1 GCAF CNC[C@H]1Oc2ccc(NS(C)(=O)=O)cc2CC(=O)N([C@H](C)CO)C[C@H]1C 95847379 XOTYHNIEAMYTDW-PBFPGSCMSA-N 399.513 0.427 0 1 GCAF COC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C 95853433 UUDITCQIVHGHRN-IIAWOOMASA-N 397.476 0.501 0 1 GCAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2c(O)nc(S)nc2[nH]1 587227616 QLPZBVBQRZGOBE-UHFFFAOYSA-N 388.409 0.890 0 1 GCAF CN(CC(=O)O)S(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587563029 OVHSZOHZUGGMNM-UHFFFAOYSA-N 390.377 0.808 0 1 GCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3cccnc3OC)[C@H](O)[C@H]2O1 2356289443 VVYQEXGDEOMVDS-HITLURFISA-N 379.457 0.382 0 1 GCAF COc1ccc(-c2nc(-c3cnccn3)n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)n2)cc1 5849631 MAXJUEAKWIHQBA-KRXQYRFLSA-N 385.380 0.022 0 1 GCAF CN(C)n1c(=O)cc2n(C3CC3)c3cc(N4CCNCC4)c(F)cc3n2c1=O 13650484 VLKOOEGTXHTDKY-UHFFFAOYSA-N 386.431 0.497 0 1 GCAF Cc1ncc(COP(=O)(O)O)c(CNc2ccc(CCCO)[nH]c2=O)c1O 98209305 DNUFYYJENFLUSM-UHFFFAOYSA-N 399.340 0.930 0 1 GCAF in-vitro C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 586958209 GOIKITUVGJBDIA-OAHLLOKOSA-N 396.450 0.679 0 1 GCAF CSc1ccc2nc(C[C@@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2c1 587226510 UBUXMXOFQDAVOC-KOLCDFICSA-N 380.426 0.589 0 1 GCAF COc1ccc(CNC(=O)[C@@H]2O[C@H](CCN3CCOCC3)CC[C@@H]2O)cc1 2356709121 PLLPDAILPVSTLR-GBESFXJTSA-N 378.469 0.942 0 1 GCAF CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@@H]3[C@@H](NC(=O)C4CC4)CO[C@@H]32)cc1 36361600 FKSBFWXNECBTHC-YLFCFFPRSA-N 384.440 0.640 0 1 GCAF biogenic N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc3c(c2[nH]1)CCCC3)C(=O)O 587217333 BAEKPXFNDJWLAX-GXTWGEPZSA-N 388.424 0.746 0 1 GCAF C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587832207 ZOBODWGQPKWUOT-YBODPPEJSA-N 378.238 0.627 0 1 GCAF CC1(C)C[C@@H](NC(=O)n2cnc(N)n2)C[C@](C)(CNC(=O)n2cnc(N)n2)C1 1772576792 SORIZVXCLLQLBR-HWPZZCPQSA-N 390.452 0.435 0 1 GCAF C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1C[C@@H](N)C1)CC2 1772606349 YOPZKHFULRIPPD-FPMFFAJLSA-N 382.472 0.593 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCOCC3)[C@H](O)[C@@H]2O1)NCc1cccnc1 2356759530 WNZSVROEIFFBLT-VBYALHQYSA-N 391.468 0.142 0 1 GCAF CNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21 5036048 PBOMQKUPVYSZFR-UHFFFAOYSA-N 381.454 0.723 0 3 GCAF Cn1c(=O)c2[nH]c(SCC(=O)NCCc3ccc(F)cc3)nc2n(C)c1=O 201446307 GKEONRQUFKKMOV-UHFFFAOYSA-N 391.428 0.550 0 3 GCAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCN(c2ccccn2)CC1 2940339 BEUKPIYAUUAVPL-DJDHSFSDSA-N 380.448 0.927 0 1 GCAF C[C@@H](O)[C@](C)(O)C(=O)OC[C@@H]1CCN2CC[C@@H](OC(=O)c3ccccc3O)[C@@H]12 14556476 HQNBAGWQDKKAMY-ULAROXBWSA-N 393.436 0.687 0 1 GCAF C=C(CO)C(=O)O[C@@H]1C[C@@H](C)C2=CC(=O)[C@@](C)(C=C3OC(=O)C(CO)=C31)O2 15158939 CMARMATYSBAUEH-HZCCJMTMSA-N 376.361 0.458 0 1 GCAF biogenic C[C@H](CNC(=O)Cc1ccccc1)NC[C@H](O)COc1ccccc1C(N)=O 27181788 ZBGCGKSDSORCGM-WBVHZDCISA-N 385.464 0.862 0 1 GCAF COc1ccc2c3c1O[C@H]1[C@H](O)C(CO)(CO)[C@H](C)[C@H]4[C@@H](C2)N(C)CC[C@]314 27842353 SVRGWROXHDAVSN-HIGOZJKUSA-N 375.465 0.552 0 1 GCAF C[C@@H]1C[C@@]1(C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cccc2ccccc12 299826168 TVXVBIYSBDOUFP-FENAYWNPSA-N 387.432 0.034 0 1 GCAF O=C1NC(=O)[C@@H]2[C@@H]1C1(c3ccccc3)NC2(c2ccccc2)[C@@H]2C(=O)NC(=O)[C@H]21 299877731 HUIJEPIOIVWLJF-KGODERQOSA-N 387.395 0.172 0 1 GCAF O=C(Nc1nn[nH]n1)[C@H]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 621477658 SAQLREIWZSUBFK-QMMMGPOBSA-N 390.347 0.868 0 1 GCAF CC(=O)OCC1=C2C(=C[C@@]3(C)CC[C@@](O)(O3)[C@](C)(OC(C)=O)C[C@H]2O)OC1=O 2356513147 UJOLIVKCUHQIRS-BYNBJNPRSA-N 396.392 0.631 0 1 GCAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NCc3ccccc3)[C@H](O)[C@@H]2O1 2356642444 HMPZMUQSRWOSEE-MQOOWTBDSA-N 391.468 0.686 0 1 GCAF CCNC(=O)O[C@@H]1CO[C@H]2[C@@H](n3nnnc3Sc3ncccn3)CO[C@H]21 25416751 PSBVYGXVVYMRON-VLEAKVRGSA-N 379.402 0.068 0 1 GCAF biogenic COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@H]2[C@@H](CO)O1 95901410 IMIOHDVFACJXOK-UETVFIHBSA-N 378.425 0.744 0 1 GCAF CO[C@@H]1C[C@@]23[C@@H]4C[C@@H](C(C)(C)C)[C@]25[C@@H](OC(=O)[C@@H]5OC)O[C@@]3(C(=O)O1)C(=O)O4 169359480 NNTPCQLOJCHHSL-KIVUKBHMSA-N 396.392 0.537 0 1 GCAF COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)cc2occc12 205440161 HHURSLXIRSAKMX-GUNLIXFSSA-N 392.360 0.698 0 1 GCAF COC(=O)[C@H](CCS[C@@H]1[C@@H](C)C[C@H]2CC[C@H]3OC(=O)[C@@H]1[C@@]23O)NC(C)=O 653887147 UKMBOYQKXUGFOP-NMSSPWJUSA-N 385.482 0.879 0 1 GCAF O=C(O)CCC(=O)NCc1ccc(COC(=O)N[C@H]2CCC(=O)NC2=O)cc1 1857544255 IYOYSSFBNZPDGU-ZDUSSCGKSA-N 391.380 0.199 0 1 GCAF Nc1ncnc2c1ncn2[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O 1857561145 LKKYUVKLMITZGD-ZUSNOYAUSA-N 379.323 0.040 0 1 GCAF O=C(N[C@]12C[C@H]1CN(c1nc(Nc3cnn(CCO)c3)ncc1F)C2)C1CC1 1911575707 GYRPAYDYHMZXQT-SGTLLEGYSA-N 387.419 0.653 0 1 GCAF Cc1ccccc1CNC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCOCC3)O[C@@H]2[C@@H]1O 2356487790 MFYSCIATMOUMOB-IAVZTARUSA-N 390.480 0.619 0 1 GCAF CC=C1C[C@H](COC(C)=O)[C@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23 2356602693 JAWLPMQZKYJXPI-YZLZLFLDSA-N 393.436 0.736 0 1 GCAF COC[C@H](OC)[C@](COC)(CO[C@@H]1O[C@H](C)[C@H](OC)[C@H](OC)[C@H]1OC)OC 2356638250 WSWUBQXBQBTOJS-WYNHDABHSA-N 396.477 0.486 0 1 GCAF O=C(NCCO)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 4547811 PLUKWJWFFOMKBE-RDJZCZTQSA-N 376.457 0.765 0 1 GCAF CSCC[C@H](C(=O)NCCCC(=O)O)n1c(=O)[nH]c2ccccc2c1=O 6908403 HMRQAEWQNCYMRR-CYBMUJFWSA-N 379.438 0.965 0 1 GCAF biogenic CC(=O)OC[C@H]1O[C@H](n2cnc3cncnc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 17352888 NJRFVTALBIPZNZ-NYTXWWLZSA-N 378.341 0.150 0 1 GCAF CN[C@H](C)C(=O)N1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@@H]2C1 25207564 TYLDFVVBSAYYTR-RNCFNFMXSA-N 395.257 0.662 0 1 GCAF biogenic C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O 38937596 SCSNRDLUTWFBAS-HNNXBMFYSA-N 391.424 0.955 0 1 GCAF Cc1ccc(-c2cn([C@H]3C[C@@H](O)[C@@H](COP(=O)(O)O)O3)c(=O)[nH]c2=O)cc1 169713194 VXEMJHOYOBDZHI-MGPQQGTHSA-N 398.308 0.270 0 1 GCAF N=c1[nH]c2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc-2c(Cl)[nH]1 586941645 LWHUNFKGVLINAO-UHFFFAOYSA-N 396.816 0.620 0 1 GCAF CN1CCC(N[C@@H]2[C@H](c3ccc(N4CCOCC4)nc3)C[C@H](O)[C@@H]2O)CC1 2356319598 QKDMDDHUHYFWHO-XEYPJELSSA-N 376.501 0.180 0 1 GCAF CC(=O)c1cc2c(c(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c1)OC(C)(C)C=C2 2356398557 VSCOBLYPRBJVFK-RIUYPTKQSA-N 380.393 0.252 0 1 GCAF CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@@H](CO)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 13138479 RHHNTCYTVQANIZ-UURKPOQGSA-N 395.408 0.289 0 1 GCAF COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](O)[C@H](N)CCCCN 13451220 CGMUBURMPMVFHE-HYVNUMGLSA-N 376.457 0.185 0 1 GCAF CCNC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1 13738434 FLFBCKMXGDATMM-KBPBESRZSA-N 384.477 0.043 0 1 GCAF COc1ccc(C(=O)CNC(=O)CCn2c3c(c(=O)[nH]c2=O)CCCC3)cc1 13860404 DAXTYMZOIZCYBQ-UHFFFAOYSA-N 385.420 0.813 0 1 GCAF CCNC(=O)N[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2n1nnnc1-c1ccc2c(c1)OCO2 25414212 XZEFVTFVSKJFHT-PKIAMQTDSA-N 388.384 0.095 0 1 GCAF biogenic CCCCCCC(=O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]2OC[C@H](C(=O)O)CO[C@@H]12 35457076 WTWRXXXNMXJOQP-CJBVPAPESA-N 376.402 0.063 0 1 GCAF CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C)C(=O)CN1CCOCC1 95895111 YXKYOXQJAAHLST-CMKODMSKSA-N 375.469 0.152 0 1 GCAF O=C(Nc1ccc(F)cc1)N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@H]1CO 95908179 TXBZUYXXZRGZTP-ZACQAIPSSA-N 393.415 0.881 0 1 GCAF CON1C(=O)[C@@]2(C[C@H]3[C@H]4CO[C@@H]2C[C@H]4[C@@](CO)([C@H](C)O)N3C)c2ccccc21 140510961 VXXWDIZFWYSBQA-YQGKBIOOSA-N 388.464 0.683 0 1 GCAF CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4cnncc4[nH]3)cc2)CC1 586956996 OEXQQNPZBFVBNC-UHFFFAOYSA-N 386.437 0.873 0 1 GCAF Cc1c(C(=O)N2CC(OCC(F)F)C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857591249 JOGVFBUTZLOALH-UHFFFAOYSA-N 378.339 0.623 0 1 GCAF 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COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3ccccc3Cl)[C@@H](O)[C@@H]2O1 2356290206 LXPCFNBDTXSNCY-BPFKQRPKSA-N 398.887 0.868 0 1 GCAF CCOC(=S)NCc1ccc(O[C@@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1 14444131 NZQNGCULBWTLGQ-YTWYBYMMSA-N 399.465 0.875 0 1 GCAF endogenous,in-man CC(=O)SCCO[P@](=O)(O)COCCn1cnc2c(N)ncnc21 27557961 FHPZDHBUXUUTER-UHFFFAOYSA-N 375.347 0.864 0 1 GCAF Cc1nsc(N2CCN(C(=O)[C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n1 29130377 IAVNDDPBDUGFJJ-STQMWFEESA-N 396.542 0.006 0 1 GCAF CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@@H](O)[C@@H]1O 29411922 KKOVVDNJUPCRKX-FLTUCWPJSA-N 390.444 0.326 0 1 GCAF COCC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO 95677600 XHJSWNOOJCOHJI-ARFHVFGLSA-N 382.844 0.793 0 1 GCAF CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1 95887725 XTMFCURZJJHNFP-YQFWSFKMSA-N 377.441 0.357 0 1 GCAF CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)cc1 102619478 UNDMIJOXJYGGOU-FIXIBIHLSA-N 378.406 0.973 0 1 GCAF 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COc1cc(O)c2c(=O)oc3c(c2c1)[C@@](C)(O)C[C@@H](OC)[C@@]31C[C@@H](O)C(=O)O1 1772570216 DXDVGVFRBGQXNB-WPZAJUNFSA-N 392.360 0.637 0 1 GCAF COCC(=O)N[C@@H]1[C@H](c2cccs2)N(C(=O)N2CCOCC2)CC[C@]1(C)O 2356288626 IDKJGVOOMUDKCF-JZXOWHBKSA-N 397.497 0.829 0 1 GCAF O=C1[C@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C(=O)N1Cc1ccccc1 2356345755 AHUSDWJRGKFUMC-RTBURBONSA-N 392.459 0.640 0 1 GCAF CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@]2(O)C=C[C@](C)(O)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@@H]12 2356375123 QDEBNXLKVXHODZ-SUZPUGJCSA-N 382.453 0.945 0 1 GCAF CC=C1C[C@H](C)[C@](C)(OC(C)=O)C(=O)OC[C@@H]2[C@H](O)CN3CC[C@H](OC1=O)[C@H]23 2356474816 DZYSFHOSCAULAC-RYNYTHHZSA-N 395.452 0.814 0 1 GCAF CON(CCCCC=CCCc1cccnc1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 2356807579 XWRMANWKWCSNMX-LCWAXJCOSA-N 396.484 0.404 0 1 GCAF CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCCN)C(=O)O 39833433 RRIHXWPHQSXHAQ-XUXIUFHCSA-N 390.550 0.296 0 1 GCAF biogenic CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](C[C@H](O)[C@H]3[C@]23CO[C@@H](O)[C@H]13)[C@@H](CO)C4=O 49032421 VXUVMWLQDKLAFV-YRJJVJJZSA-N 380.437 0.248 0 1 GCAF NS(=O)(=O)c1ccc([C@H]2c3ccc(O)cc3CCN2S(N)(=O)=O)cc1 84653778 IMCCJXZOAPRMSJ-HNNXBMFYSA-N 383.451 0.191 0 1 GCAF O=C(NC1CCCCC1)N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO 95678448 RNIDAHWWXILMTD-GVDBMIGSSA-N 381.473 0.552 0 1 GCAF Cc1ccc2c(ccc3nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c32)n1 587221939 RUBHPHAGHVGTTJ-BXUZGUMPSA-N 399.407 0.724 0 1 GCAF COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2cnccn2)cc1C 14972510 DSUSWKXGCHOJDV-GOSISDBHSA-N 397.479 0.843 0 3 GCAF C/C=C/CCCC/C=C/C(=O)N[C@H](C[C@@]1(O)C(=O)[C@H]2O[C@H]2[C@H]2O[C@H]21)C(=O)OC 13890687 DJQAYXQSWDXHIP-XBDQOITFSA-N 393.436 0.576 0 1 GCAF CC(C)[C@]1(O)CC(=O)[C@@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@]31C)[C@H](O)[C@@H](C)CC[C@@]24O 104371359 IJPNDQQOKFKBRG-KWSHMVJTSA-N 382.453 0.311 0 1 GCAF in-man CC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)C3=C[C@H]4NC=C[C@H]4N=C3)CC1)C2 261191974 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NRVPCUSGQKTWPZ-AWEZNQCLSA-N 397.439 0.063 0 1 GCAF CN1C[C@@H](NS(C)(=O)=O)CCC[C@H](C(=O)N(C)Cc2cccnc2)CC1=O 2356351094 PWHXTOZCJNBCQV-HOTGVXAUSA-N 396.513 0.606 0 1 GCAF CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC1=O 2356448436 DDXULJFDBNIPEQ-OTJKEOIZSA-N 394.516 0.558 0 1 GCAF COc1cccc(C(=O)N2C[C@H]3COCCN3C3(C2)CN(C(=O)C2CC2)C3)c1 2356761553 OBDPHKCDAHUGFD-KRWDZBQOSA-N 385.464 0.843 0 1 GCAF NC(=O)c1ccc(-c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 45358530 NBVVVUOMNUXICW-HNNXBMFYSA-N 377.356 0.854 0 1 GCAF O=C1Nc2cc(Cl)ccc2C(=O)N2CCN(C(=O)[C@@H]3CSCN3)C[C@H]12 67902341 YSYNERNKSNZDHO-QWHCGFSZSA-N 380.857 0.608 0 1 GCAF biogenic CN(C)CC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccccc2F)O[C@H]1CO 95906996 RKEDVRHSWVNUQX-PVAVHDDUSA-N 381.448 0.418 0 1 GCAF COc1ccc(CNC(=O)C[C@@H]2C[C@@H]3O[C@H](CNC(C)C)[C@@H](O)[C@H]3O2)cc1 2356750955 DGBKRLBTMMSWFL-OIGVQNGMSA-N 378.469 0.985 0 1 GCAF CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNCc2ccccn2)[C@H](O)[C@H]1O 2356869240 XJZFPKJGPQYJRL-YHELAOLJSA-N 385.464 0.709 0 1 GCAF COCCn1ccn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(O)c2c1=O 95594250 QDDNUKWETDOWFS-UHFFFAOYSA-N 387.367 0.882 0 1 GCAF COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 95797839 MNXZFCVGXSKIEH-WAOWUJCRSA-N 381.432 0.893 0 1 GCAF CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2cccnc2)O1 95885156 OSTXBBBXOSEBLK-NXOAAHMSSA-N 377.441 0.357 0 1 GCAF CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CCOCC2)O1 95885444 UCOGFCCFBHACTI-TWMKSMIVSA-N 384.473 0.027 0 1 GCAF CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccncc2)O1 95887332 JDHZCDHPHAWVKT-HZMVEIRTSA-N 377.441 0.309 0 1 GCAF C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605855 BEKFJEHPEIOIAV-RVRNSBJJSA-N 376.361 0.186 0 1 GCAF NC(=O)COc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1 1857541656 BWSCSSSMXYJTQJ-UHFFFAOYSA-N 376.376 0.994 0 1 GCAF CCN1CCN(c2cnn(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2Cl)CC1 1857741890 MIZOVKCXRDKVOZ-UHFFFAOYSA-N 397.888 0.675 0 1 GCAF C[C@H]1C[C@@]23OC(=O)C4=C(O)[C@H](C)C[C@](C)(O)C(=O)C[C@H]4[C@H]2[C@@H](O)[C@]1(C)OC3=O 2356334359 FAFGDIIANZCFAM-PXIWZJOSSA-N 394.420 0.793 0 1 GCAF COCCNC(=O)[C@H]1CCC[C@H](NC(=O)c2cccnc2)CN(C)C(=O)C1 2356462145 HPBMAESUNBLLJX-HOCLYGCPSA-N 376.457 0.591 0 1 GCAF Cn1cc(Br)c(C(=O)NN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)n1 13153185 LMHHPCYJUBLDJT-DKBBTKLESA-N 391.225 0.881 0 1 GCAF COC(=O)CCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N 28824984 YBYJNUPHQJASFD-CQSZACIVSA-N 390.444 0.348 0 1 GCAF COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncn3ccccc23)n1 103185165 WELYGZXTSFOCJJ-UHFFFAOYSA-N 378.370 0.652 0 1 GCAF CCO[P@](=O)(O)[C@H]1C[C@@H](NC(=N)N)[C@H]([C@@H](NC(C)=O)C(CC)CC)[C@@H]1O 653866627 MTOSKKSEEZQIGR-QKGCVVFFSA-N 392.437 0.750 0 1 GCAF CN(C)/C=C1\C[C@H]2C(=O)N(/C(=C/N(C)C)c3ccncc3)[C@H](N(C)C)N2C1=O 1911584253 XFRZSYIPYKBXTA-VKGTZOHXSA-N 384.484 0.675 0 1 GCAF C[C@H]1C[C@@]23OC(=O)C4=C(O)[C@H](C)C[C@](C)(O)C(=O)C[C@H]4[C@@H]2[C@@H](O)[C@]1(C)OC3=O 2356334360 FAFGDIIANZCFAM-WHSBQDFESA-N 394.420 0.793 0 1 GCAF Cc1cc2c(cc1Cl)S[C@@H](C1C(=O)NC(=S)NC1=O)NS2(=O)=O 3611285 MUVQVISOSIPXRJ-NSHDSACASA-N 391.883 0.506 0 1 GCAF CCCN(Cc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O 13778750 OBRFFAUWYCOFJW-USXIJHARSA-N 375.425 0.625 0 1 GCAF C=C1C(=O)O[C@@H]2/C=C(\CO)[C@@H]3O[C@@H]3[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12 33918331 TZMBEJAHWVHDNJ-OPNDMSLZSA-N 392.404 0.182 0 1 GCAF O=C(C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NC1CCCCC1 95676151 NIFMHKNMYGHVIX-KURKYZTESA-N 397.516 0.182 0 1 GCAF CNC[C@@H]1Oc2ccc(NS(C)(=O)=O)cc2C(=O)N([C@@H](C)CO)C[C@H]1C 95847680 HMGKWXPABBQPJW-WQGACYEGSA-N 385.486 0.498 0 1 GCAF COCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccccc2OC)O[C@@H]1CO 95906786 SKKODOPUHLUDOU-BFYDXBDKSA-N 378.425 0.149 0 1 GCAF COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ncccc4C)c(C)cn23)n(C)c1=O 621431480 LWKFOHHJCKHJJJ-GFCCVEGCSA-N 396.407 0.884 0 1 GCAF Cn1nc(-c2cnc(N)c(-n3nnc4ccccc43)n2)nc1CN1CCOCC1 1857744252 REPKZIYHWKNJBG-UHFFFAOYSA-N 392.427 0.420 0 1 GCAF Cn1cc(CNC(=O)C[C@@H]2C[C@@H]3O[C@H](CNC4CCCCC4)[C@@H](O)[C@@H]3O2)cn1 2356290101 JPCBXLKJJOHEHL-OCBLOMHFSA-N 392.500 0.635 0 1 GCAF CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NCCc2ccccc2)[C@H]3C1=O 250480898 WEIBKKGWMUCHNS-LAVAIGHBSA-N 384.432 0.690 0 3 GCAF CN(CCCN1CCOCC1)C(=O)Cn1nnnc1CN1CCCCCC1 12571992 COQKOMWHOVVRAZ-UHFFFAOYSA-N 379.509 0.230 0 1 GCAF CCCCCCC(=O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]2OC[C@H](C(=O)O)CO[C@H]12 35457070 WTWRXXXNMXJOQP-WENQQOBGSA-N 376.402 0.063 0 1 GCAF C/C=C/CCCC/C=C/C(=O)N[C@H](C[C@]1(O)C(=O)[C@H]2O[C@H]2[C@H]2O[C@H]21)C(=O)OC 13890685 DJQAYXQSWDXHIP-USGQVTLESA-N 393.436 0.576 0 1 GCAF COc1cc2c(cc1OC)[C@]1(O)C(=O)c3c(O)cc(O)cc3O[C@H]1[C@H](O)O2 14928795 PYIMOMJIHXEJKY-KSZLIROESA-N 376.317 0.657 0 1 GCAF biogenic COc1ccc(CNC(=O)C[C@@H]2CC[C@H](NC(=O)CN(C)C)[C@@H](CO)O2)cc1 95676074 AFXALTHXBUYGQN-OKZBNKHCSA-N 393.484 0.288 0 1 GCAF CC(=O)N1[C@H](CN(C)C(=O)CN2CCOCC2)[C@@H](c2ccccc2)[C@@H]1CO 95895113 YXKYOXQJAAHLST-WSTZPKSXSA-N 375.469 0.152 0 1 GCAF C/C(=C\C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12)CO 238776123 UKPSUWZPUAENNH-PPJCERQOSA-N 397.468 0.162 0 1 GCAF COc1ccc2c(c1OC)[C@]13CCN(C)[C@@]14C[C@H]2O[C@]4(O)[C@H](OC)[C@@H](O)C3 257608258 WOGSBUNWOTVHQN-PIGOJSEHSA-N 377.437 0.959 0 1 GCAF COC(=O)c1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2c1 587217094 ACGKNUCOMCXBSG-ONGXEEELSA-N 392.368 0.174 0 1 GCAF Cn1nc(C(F)F)c([C@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1O 963218397 RXOGTMCDDNSFBS-RVBZMBCESA-N 392.366 0.634 0 1 GCAF CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc4c(c3)OCO4)C(=O)N2[C@@H]1C(=O)O 27331639 OJRFCVKRBOKGRG-FUTJPDQTSA-N 393.421 0.047 0 1 GCAF CCOCCOCCCc1ccc[n+](CC(P(=O)(O)O)P(=O)(O)O)c1 40952834 QXIGQZJDVTWRPJ-UHFFFAOYSA-O 398.309 0.641 0 1 GCAF CN(CC(=O)N1CCCNCC1)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82085708 SJZQPAXKQUTPTQ-UHFFFAOYSA-N 386.408 0.964 0 1 GCAF COCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccncc1 95794557 JZDMRHRLONCJRP-MJGOQNOKSA-N 381.432 0.910 0 1 GCAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1C[C@H](O)[C@@](O)(CO)[C@@H]2C[C@H](O)[C@H]1CCOC1=O 238734895 UGNCJOONGJJUTN-DKGBEWMESA-N 386.485 0.208 0 1 GCAF CCOC(=S)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@@H]2O)cc1 257499263 NZQNGCULBWTLGQ-ZJGDRNRASA-N 399.465 0.875 0 1 GCAF endogenous,in-man C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C(=O)O[C@@H]2[C@@H](O)CO 587841677 NDGXLUNWLDEFJM-CXLURFMMSA-N 388.189 0.165 0 1 GCAF Cc1noc(C)c1CN[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@H](O)[C@H]1O 2356298872 HKWIGMSQFLRXIY-JZGRTCEGSA-N 384.440 0.845 0 1 GCAF C[C@@H]1CC(=O)[C@]2(CO)[C@](O)(CO)CCC[C@]2(O)[C@]12C[C@H](c1ccoc1)OC2=O 2356391149 RXDUFGKJOZHMHQ-HDSCVRPHSA-N 394.420 0.480 0 1 GCAF CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCNCC1)C(=O)OC(C)(C)C 36378354 QNYTZBBFDVSHCA-ZDUSSCGKSA-N 393.488 0.941 0 3 GCAF CC[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)C(=O)N[C@H](C=O)CCCCN 14584088 KWIHWIPKZWTZRC-OWLYRPNTSA-N 398.548 0.881 0 1 GCAF biogenic CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccc4c(c3)CCO4)[C@H]2SC1 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13783421 GFNANZIMVAIWHM-BIGDOJPPSA-N 394.439 0.621 0 1 GCAF CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)O)no3)nc2n(CCC)c1=O 28527944 YUDXEGJAVVVIFR-UHFFFAOYSA-N 377.357 0.825 0 1 GCAF CCC(=O)N1[C@H](CNC(=O)CN2CCOCC2)[C@@H](c2ccccc2)[C@@H]1CO 95895073 ZFUOFKKSDQWECY-FUHIMQAGSA-N 375.469 0.200 0 1 GCAF COC(=O)c1ccc(-c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2)cc1 169724876 KJXHYBWPKVGFJG-YFYQMDMQSA-N 390.388 0.319 0 1 GCAF C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCCNC1 1772599685 YWSQTXAUTPBHMW-FQEVSTJZSA-N 396.499 0.857 0 1 GCAF C[C@H](c1nc(-c2ccc(S(N)(=O)=O)cc2)no1)[C@H](N)C(=O)N1CCCC1 14948431 IGGQECSQOLALAQ-GWCFXTLKSA-N 379.442 0.437 0 1 GCAF Cc1nn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2c1N=NN(Cc1ccccc1)[C@@H]2O 49019357 GARMTAXCAGSZAE-YFTGLANFSA-N 375.385 0.308 0 1 GCAF CCS(=O)(=O)N[C@@H]1CC[C@H](CC(=O)NC2Cc3ccccc3C2)O[C@H]1CO 95676574 LZGNPRRVNFVBRK-KURKYZTESA-N 396.509 0.508 0 1 GCAF COc1ccccc1-n1cc(S(=O)(=O)N[C@H]2CCCN(CCO)C2=O)cn1 97097535 YFSWUZATUHQGTR-AWEZNQCLSA-N 394.453 0.143 0 1 GCAF O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 100602753 GHDNAOMLMMZWQC-CZKCSJLSSA-N 397.475 0.908 0 1 GCAF CC(=O)OCC1=C2[C@@H](OC(C)=O)C[C@@](C)(O)[C@@H]3CC[C@@]4(C)O[C@@]34[C@H]2OC1=O 238744196 KECYKLWUKYZYNZ-AVKVSHSSSA-N 380.393 0.796 0 1 GCAF C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23O[C@@H]2[C@H](O)[C@@](C)(O)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 255281210 XOJYVZGODJPTEG-WSVYBHETSA-N 396.436 0.076 0 1 GCAF NS(=O)(=O)c1cccc(NC2=c3cc(OC(F)(F)F)ccc3=NC2=O)c1 653733790 VHMRTDMHGBJAOX-UHFFFAOYSA-N 385.323 0.613 0 1 GCAF CCOP(=O)(OCC)[C@]1(O)C[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@H]1CO 1642412 CBBQEZRNJNAFQF-COPLHBTASA-N 378.318 0.080 0 1 GCAF OC[C@@H]1O[C@H](n2cnc3c(NCC4=CCc5ccccc54)ncnc32)[C@@H](O)[C@@H]1O 25996449 HPDZGAGMDATLJH-FORWCCJISA-N 395.419 0.489 0 1 GCAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H]1O 36272788 HMZVDTCSZNNZJH-PGSQKUSISA-N 399.407 0.573 0 1 GCAF CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CCOCC2)O1 95887396 MWTQFHHONBVRQP-NXOAAHMSSA-N 384.473 0.075 0 1 GCAF C/C(=C\CCO[P@@](=O)(O)OP(=O)(O)O)NCc1cnc(C)nc1N 103532947 DPGNBHAKLFOOJK-XBXARRHUSA-N 382.250 0.977 0 1 GCAF in-vitro CN(Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)S(=O)(=O)c1cccnc1 586929034 PNQIVNUPDXHDJE-UHFFFAOYSA-N 381.439 0.426 0 1 GCAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586940237 XVFDPVPAMSRRRD-MRVPVSSYSA-N 385.427 0.583 0 1 GCAF CC1(C)[C@@H]2C[C@H]3OC(=O)[C@]45C[C@@H](C[C@H](O)[C@@H]4[C@]34CO[C@@H](O2)[C@@H]14)[C@@](C)(O)C5=O 2356847180 OULZISXDECDWIJ-GWRXWOQQSA-N 378.421 0.407 0 1 GCAF O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCc1ccncc1 95796939 GKLMDXAFJCNXRK-RCCFBDPRSA-N 391.468 0.539 0 1 GCAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nn(C)c(=O)n(C)c1=O 587870191 XVOLUPKRESDNTD-UHFFFAOYSA-N 382.302 0.754 0 1 GCAF CCCCN1C(=O)[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(OC)cc3)C2)C1=O 2356291501 WDDALOGIJRPOCZ-SJLPKXTDSA-N 387.480 0.854 0 1 GCAF O=C(N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@@H]1O)c1ccc2c(c1)OCO2 2356295691 XBXVIYUQDGSNFC-XHSVMWQWSA-N 386.408 0.425 0 1 GCAF COC(=S)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]2O)cc1 2356539956 HMXLIRAHSHWREJ-OUSDRQIFSA-N 385.438 0.485 0 1 GCAF CCC(CC)CCOc1nc(N)c2ncn([C@@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 49068134 IKTDJUXXBREHIR-RKOGSIPDSA-N 381.433 0.225 0 1 GCAF Cc1cn([C@H]2C[C@H](n3nncc3COc3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O 103281303 IRBOHXQZVZCMLS-GVDBMIGSSA-N 399.407 0.537 0 1 GCAF Cc1noc(C)c1S(=O)(=O)NC[C@@]1(COc2cccnc2)C[C@H](O)[C@H](O)C1 2356440427 AWEAMJJOAKMLQF-QLPKVWCKSA-N 397.453 0.546 0 1 GCAF Cn1cccc1C(=O)N[C@@H]1CCN2C(=O)[C@@H]3C[C@@H](OCC4CC4)CN3C(=O)[C@H]12 2356671950 QELAKNOFZHXZJP-JHNDHUHGSA-N 386.452 0.134 0 1 GCAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCN(c2ccccn2)CC1 4731031 BEUKPIYAUUAVPL-QXGSTGNESA-N 380.448 0.927 0 1 GCAF CC1(C)O[C@H]2[C@@H]3O[C@](C)(C(C)(C)C)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 28763868 YQQLFFJSSALGPY-ZNLHFFCSSA-N 381.447 0.631 0 1 GCAF Cc1[nH]c(=O)c(C(C)C)nc1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O 96086287 UWRBCOGQVDTYGV-NWDGAFQWSA-N 380.445 0.936 0 1 GCAF COc1cccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c1N 113069619 JTXKFBWSFRPAAJ-QKPPEBSVSA-N 381.436 0.332 0 1 GCAF CC(=O)O[C@@H](C)[C@H](/C=C/[C@@H]1O[C@H]1[C@@H]1OC(=O)C=C[C@@H]1OC(C)=O)OC(C)=O 238748746 WSMOXQBLJXEQNX-QDRYPAGGSA-N 382.365 0.607 0 1 GCAF CS[C@@H]1C(=O)N(C)[C@@H](Cc2ccc(OC[C@@H](O)C(C)(C)O)cc2)C(=O)N1C 2356728262 DXKZHOFMXXPYED-HDMKZQKVSA-N 396.509 0.728 0 1 GCAF COc1cc(O)c(CC=C(C)CO[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c2c1C(=O)OC2 2356744117 CWEVZXAFQJYUCV-CNDLSXRNSA-N 396.392 0.016 0 1 GCAF C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O 13610749 QMUUEKFPLKGIMK-NVIHGZOMSA-N 383.836 0.836 0 1 GCAF Cn1c(=O)c2c(nc3n2CCCN3CCOC(=O)Nc2ccccc2)n(C)c1=O 28872476 OOWNCQYXDRWSMM-UHFFFAOYSA-N 398.423 0.893 0 1 GCAF N#CCC(=O)N1CCC[C@H](n2c(=O)[nH]c3cnc(Nc4ccc[nH]c4=O)nc32)C1 150149970 UMELHOMADMVMKP-NSHDSACASA-N 394.395 0.629 0 1 GCAF CC(C)NC(=O)NC[C@@H]1OC[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O 2356737648 NIMFJIHKWMARSX-HRCADAONSA-N 385.486 0.016 0 1 GCAF C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O 7997362 RIRGCFBBHQEQQH-AJUYOACQSA-N 385.424 0.481 0 1 GCAF CNC(=O)[C@H]1CC(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)=NO1 26831920 HPVPIWVYPYQPHY-XHDPSFHLSA-N 378.360 0.526 0 1 GCAF NC1=NON[C@@H]1N1N=N[C@H](c2n[nH]c(-c3ccncc3)n2)[C@@H]1CN1CCCCC1 28529682 QOSJHIAXUCUPLN-GDZNZVCISA-N 397.447 0.578 0 1 GCAF CC(=O)N[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3CCF)C1 29327737 VCCRYEAYRRKQBN-JTQLQIEISA-N 380.351 0.918 0 1 GCAF Nc1ncc(-c2nccc(-c3cc4c([nH]3)C3(CCNCC3)CNC4=O)n2)cn1 71332855 UEEGPWPCUKOTQB-UHFFFAOYSA-N 376.424 0.876 0 1 GCAF CC(C)c1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(O)cc1 95577902 LZNSCJBZAOZHJT-YRHQEJDOSA-N 394.424 0.008 0 1 GCAF NS(=O)(=O)c1cccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 217030457 NNRYCPWPTAILSN-KRWDZBQOSA-N 389.477 0.483 0 1 GCAF C[C@@]1(O)C[C@@H](C[C@@](C)(O)[C@H](O)COc2ccc3ccc(=O)oc3c2O)OC1=O 238788677 QEBIOZOGMSVUHV-GMBROJJHSA-N 394.376 0.446 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3cccnc3)[C@H](O)[C@@H]2O1)NC1CC1 2356455437 UDJBTIVZTMGHJE-GFISCPRKSA-N 376.413 0.158 0 1 GCAF CC1(C)O[C@@H]2[C@@H](CCP(=O)(O)O)O[C@@H](c3nc(C(N)=O)cs3)[C@@H]2O1 17140366 SOEARYYVKAIDJY-ZYUZMQFOSA-N 378.343 0.770 0 1 GCAF Oc1ccc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](O)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1 59586267 ICKZLALRLAHODG-QEBXCZSESA-N 376.361 0.404 0 1 GCAF biogenic,in-vitro O=C(NCC(F)(F)F)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1C(=O)C1CC1 95881497 HYHGLNWEXAHCEQ-HKCMKHECSA-N 399.369 0.427 0 1 GCAF CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(N)=O 96921500 QOKJJYAIUHYLPF-HNNXBMFYSA-N 394.497 0.990 0 1 GCAF NS(=O)(=O)c1ccc(-c2c(S(=O)(=O)c3ccccc3)no[n+]2[O-])cc1 299839708 SORVBQVNXDELSF-UHFFFAOYSA-N 381.391 0.455 0 1 GCAF Nc1ncnc2c1c(-c1nccc3ccccc13)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1857575145 NQJDBCHGTQNEDD-AEVYOOLXSA-N 393.403 0.840 0 1 GCAF COc1c(N2CC[C@@H](CN)C2)c(F)cc2c1N(CCCN)C[C@@H](C(=O)O)C2=O 1857751386 SONBBVPUQGEIDF-WCQYABFASA-N 394.447 0.672 0 1 GCAF COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@H]2N=C(C(C)=O)[C@H]3[C@H](O)[C@H]1OC[C@H]32 2356498536 XTCNHYCPNSGXRX-RNBUHLEFSA-N 386.404 0.649 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)C(C)(C)C2 14683011 QFXWNTWJLHHEKX-ANSOJVFESA-N 394.464 0.427 0 1 GCAF endogenous,in-man CC(=O)Nc1nc(OCc2ccccc2)c2ncn([C@H]3C[C@@H](O)[C@@H](O)O3)c2n1 26734835 ATSMAVMOYAZTSF-XNJGSVPQSA-N 385.380 0.962 0 1 GCAF CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cc(=O)[nH]c(O)n1)C(=O)O 28011820 XMOWUVZINCCFOM-JQWIXIFHSA-N 382.417 0.236 0 1 GCAF CC(C)NC(=O)NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 95668774 QYIDETKDHTZXMS-HYVNUMGLSA-N 399.513 0.971 0 1 GCAF COc1ccc(Cn2c(=O)c3c(=O)c4[nH]cc[nH]c4c(=O)c3c2=O)c(OC)c1 137078476 QCXFGKDAINKOPS-UHFFFAOYSA-N 381.344 0.395 0 1 GCAF COCC(=O)Nc1ccc(F)c([C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(N)=N3)c1 217089291 ODFHWGXAJALDTE-CXAGYDPISA-N 399.444 0.569 0 1 GCAF CCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@@H](c1cnn(-c3ccccc3)n1)N2CCOC 618014200 OFZIOMHUHNGJEZ-BBWFWOEESA-N 399.455 0.474 0 1 GCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3cccnc3)[C@@H](O)[C@H]2O1 2356312359 SXQMVBBDJGODJA-CTTHAOKLSA-N 378.429 0.405 0 1 GCAF COCCNC(=O)[C@H]1CCC[C@@H](NC(=O)c2cccnc2)CN(C)C(=O)C1 2356462144 HPBMAESUNBLLJX-GOEBONIOSA-N 376.457 0.591 0 1 GCAF CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@@H]3[C@@H](OCC(=O)O)CO[C@@H]32)cc1 2356874527 YWTJPAFRNBQSMT-OCVGTWLNSA-N 375.385 0.215 0 1 GCAF C[C@H](NC(=O)c1ccc(C(=N)N)cc1)C(=O)N1CCC(OCC(=O)O)CC1 3825777 BHOGTSLQMNCJHA-NSHDSACASA-N 376.413 0.181 0 1 GCAF in-vivo CN1CCN(Cc2ccc(C(=O)OCn3ncc4c(=O)[nH]cnc43)cc2)CC1 26496370 WSZAZCDUADBCFY-UHFFFAOYSA-N 382.424 0.682 0 1 GCAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O 27105432 RIRGCFBBHQEQQH-CAFRTOGMSA-N 385.424 0.481 0 1 GCAF O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1COc1ccc2ccccc2c1 28358312 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379.360 0.641 0 1 GCAF CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)[C@@H](CO)NC(=O)[C@@]12C 36388993 FSQYVPFEKCCGPT-LPKVGUTLSA-N 388.420 0.316 0 3 GCAF O=c1[nH]c(=O)n([C@@H]2[C@@H](F)[C@H](CO)[C@H]2CO)cc1/C=C/I 600062 DYXMGIDYALLYFN-UQJDXUGISA-N 396.156 0.052 0 1 GCAF O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O 96167346 AVOAVUPMBQZWSP-XNIJJKJLSA-N 394.388 0.398 0 1 GCAF O=C(NC[C@@H]1O[C@H](n2ccc(O)nc2=O)C[C@@H]1O)[C@@]12C[C@@H]3CCC[C@H](C1)[C@H]3C2 253637571 AOMBHLFCWIMSPC-GJESKIFVSA-N 389.452 0.930 0 1 GCAF NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2)cc1 299839608 SQXYLHZXDLACGK-UHFFFAOYSA-N 383.451 0.565 0 1 GCAF Cc1cc2nc(C[C@@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2cc1Cl 587221197 VOFYXSOHUVVAFU-ZJUUUORDSA-N 382.804 0.829 0 1 GCAF O=C1[C@@H]2C[C@H](O)CN2C2(CN(C3CCCCC3)C2)C(=O)N1Cc1cccnc1 2356537290 NOAIFYFKZJWEOH-ROUUACIJSA-N 384.480 0.773 0 1 GCAF COc1cccc(CC(=O)N[C@@H]2C[C@H](Cn3cc(C4CC4)nn3)[C@@H](O)[C@@H]2O)c1 2356619679 PUAOSYCALDMNTH-BGRCLHOASA-N 386.452 0.633 0 1 GCAF CC[C@@H]1NC(=O)[C@@H]2C[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)CCN2C1=O 3841195 YTYFPVKSZQUULX-UBHSHLNASA-N 385.873 0.886 0 1 GCAF biogenic COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)c2ccco2)CCN1 67902315 HFNJOUZRJPDILM-HZPDHXFCSA-N 385.420 0.594 0 1 GCAF biogenic O=C(c1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1)N1CCN(CCO)CC1 586918653 ZJYLQFXAQGZCBD-SFHVURJKSA-N 388.468 0.773 0 1 GCAF CN1[C@H](CCC(=O)N2CC[C@H](O)C2)CNC(=O)[C@@H]2[C@H]1CCN2CC(C)(C)C 2356817516 DLZCXTNDNGQLJU-HPFXQQBRSA-N 380.533 0.279 0 1 GCAF OC[C@@H]1O[C@H](Oc2ccc(/C=C\c3cc(O)cc(O)c3)cc2)[C@H](O)[C@H](O)[C@@H]1O 13340983 RUOKEYJFAJITAG-FCOUIALMSA-N 390.388 0.447 0 1 GCAF in-man COc1ccc(CNC(=O)C[C@H]2C=C[C@H](NC(=O)CN(C)C)[C@H](CO)O2)cc1 95907059 VWYZNXAXUASMBN-SQNIBIBYSA-N 391.468 0.064 0 1 GCAF CNc1nc(Cl)nc2c1ncn2[C@H]1O[C@H](C(=O)NCCC(C)C)[C@@H](O)[C@@H]1O 169729006 VWDBSJRMLYGOFR-VEABSNGSSA-N 398.851 0.303 0 1 GCAF NS(=O)(=O)c1ccccc1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 217041536 LMJASDFXANKVNH-MRXNPFEDSA-N 389.477 0.483 0 1 GCAF C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 299883397 RHBYTRBWIACMDW-QGPMSJSTSA-N 384.436 0.774 0 1 GCAF CCN(C(=O)c1cc2c3c(ncn3C)c(=NC)[nH]c2n1C[C@H](O)CO)C(C)C 473137672 ZGAVFQNBUNSEFY-LBPRGKRZSA-N 388.472 0.610 0 1 GCAF CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4ncc[nH]c-4n3)cc2)CC1 586957291 WXEPTBSMZJJKHH-UHFFFAOYSA-N 386.437 0.824 0 1 GCAF CC(=O)c1ccc2nc(C[C@@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c2c1 587217607 BSZACWBKCXUTRU-ZYHUDNBSSA-N 376.369 0.070 0 1 GCAF COC(=O)C(C)(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21 1772571153 BOBINYAIJOFUMC-UHFFFAOYSA-N 399.455 0.667 0 1 GCAF CC[C@H](C)C(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)O)cc2)[C@@H](O)[C@H](O)[C@H]1O 2356522063 VVIJOILLLJEILW-ZUSVWGPVSA-N 384.381 0.161 0 1 GCAF C[C@]12[C@@H](O)C[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@@]2(O)[C@H](O)CO 2356673509 KSKRJBLNVSEHHN-IVJVHQSQSA-N 382.497 0.624 0 1 GCAF CC[C@](O)(C(=O)OCc1ccc(NC(=O)CC[C@H](N)C(=O)O)cc1)[C@H](C)O 35464851 XTGDJPLFFWQLLE-KQYVJACZSA-N 382.413 0.382 0 1 GCAF biogenic COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCSCC2)c(OC)c1 39353819 BTLGFLJDPNLZGQ-INIZCTEOSA-N 393.509 0.970 0 1 GCAF CCCN(Cc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@@H](N)[C@@H]1NC(C)=O 28015855 OBRFFAUWYCOFJW-HYVNUMGLSA-N 375.425 0.625 0 1 GCAF OC[C@@H]1O[C@@H](n2cnc3c(NC4Cc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1O 36271823 NKTIWTYWGRTWOE-GKDNMFGBSA-N 383.408 0.017 0 1 GCAF CC(=O)NC[C@H]1CN(c2ccc(OC[C@@H](O)CNC3CC3)c(F)c2)C(=O)O1 103254654 GWWAFVFYHOFPSP-GJZGRUSLSA-N 381.404 0.779 0 1 GCAF COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)cc1O 113068907 ATPFYWPDTOLIDV-ZOJVWFEISA-N 382.420 0.456 0 1 GCAF CC(C)[C@@H](NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(N)=O 207410335 WTYRESTZVQXICD-GFCCVEGCSA-N 383.399 0.960 0 1 GCAF C[C@@]1(O)c2cccc(O)c2C(=O)c2c1cc(CC(=O)O)c(C(=O)CC(N)=O)c2O 238757747 FQQGCQLSPNJAHW-HXUWFJFHSA-N 399.355 0.583 0 1 GCAF COc1cc(OC)c2[nH]c([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c1 587220173 MWLUMOMKEDPNHW-UWVGGRQHSA-N 394.384 0.404 0 1 GCAF CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1cc(=O)[nH]c(O)n1)C(=O)O 28011807 XMOWUVZINCCFOM-ZYHUDNBSSA-N 382.417 0.236 0 1 GCAF CC(C)[C@@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82206878 KBLJEPQEPOGKNM-ZDUSSCGKSA-N 375.404 0.545 0 1 GCAF COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Cc1ccccn1)C2 95794167 NZDFGTNNLPRLOE-WIYYLYMNSA-N 395.459 0.838 0 1 GCAF CCOC(=O)C[C@@H](NC(=O)[C@@H](N)C(C)C)[C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC 98084064 VZWUEEMBFVEBOP-XRAQPPGDSA-N 388.461 0.299 0 1 GCAF CC(=O)c1ccc2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2c1 587218439 GRZVGEDYHHWTJM-CMPLNLGQSA-N 376.369 0.070 0 1 GCAF Cc1cnc(Cl)c2[nH]c(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)nc12 587218674 KGQXCPDCSWNBHD-SFYZADRCSA-N 383.792 0.224 0 1 GCAF COC(=O)[C@@]1(Cc2ccccc2)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SC)N21 61944595 NYUIKARHWFSAMN-ZYKCCNLVSA-N 387.461 0.789 0 3 GCAF CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CN(C(=O)/C=C/CN3CCCCC3)C[C@@H]12 28000303 NFSSMVLQBBUNAH-JJFYSHDPSA-N 397.541 0.930 0 1 GCAF CCCC[C@H](CN(O)C=O)C(=O)N1COC[C@H]1C(=O)Nc1ccc(F)c[n+]1[O-] 66166720 LJEWQAFSPXYYFM-OCCSQVGLSA-N 398.391 0.237 0 1 GCAF CCOC(=O)CCc1nc2nc(N(C[C@H](C)O)C[C@@H](C)O)ccc2[nH]c1=O 82231421 IGYXRJFOBNPXIJ-TXEJJXNPSA-N 378.429 0.382 0 1 GCAF N#Cc1ccc(-c2c(N[C@@H]3CCCNC3)[nH]c(N3CCOCC3)nc2=O)nc1 221552809 PKVOKAYJSVBITH-CQSZACIVSA-N 381.440 0.704 0 1 GCAF Cc1cc(Cl)cc2nc(C[C@@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c12 587218819 LJZOBWPYKSCFEC-ZJUUUORDSA-N 382.804 0.829 0 1 GCAF Nc1ncnc2c1c(-c1ccc3ccccc3n1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1857552554 MMXBFDPWMWYDDW-WVSUBDOOSA-N 393.403 0.840 0 1 GCAF CCO[C@@H]1CC(=O)[C@H](C)OC(=O)C[C@H](C)OC(=O)C=C[C@@H](O)[C@@H](C)OC1=O 2356436223 FRSLVQFQUNGOIH-GGAZOKNXSA-N 386.397 0.467 0 1 GCAF CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)CC)[C@@H](C)CC 14961474 CFABOFMUPCWOPC-LHEWDLALSA-N 386.445 0.463 0 1 GCAF in-vivo O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)c3cccc(F)c3)C[C@@H]12 25415315 CKYJLVVHQGCJDW-ROUUACIJSA-N 397.406 0.925 0 1 GCAF biogenic CC(=O)OC[C@@H](CCn1cnc2c(O)nc(N)nc21)COC(=O)[C@@H](N)C(C)C 29547113 HJFGSHVZMQQFHM-NEPJUHHUSA-N 394.432 0.210 0 1 GCAF C[C@@H]1O[C@H](OC(=O)C2=C[C@@]3(O)CC(C)(C)C[C@]34[C@@H](C)CC[C@H]24)[C@H](O)[C@H](O)[C@@H]1O 36375412 QEZOAVXNNSLPOZ-WFGPHWTHSA-N 396.480 0.881 0 1 GCAF CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccccc1 95921415 NTXAKLDOOQBMCR-UHFFFAOYSA-N 386.433 0.992 0 1 GCAF in-vitro CC(C)[C@]1(O)CC(=O)[C@]2(C)C[C@@]3(O)O[C@]4(C(=O)[C@]31C)[C@@H](O)[C@@H](C)CC[C@@]24O 100781283 IJPNDQQOKFKBRG-VVFNDNQQSA-N 382.453 0.311 0 1 GCAF endogenous,in-man CSC(=O)CC(=O)CC(=O)CC(=O)C[C@@H](O)CC(=O)CC(=O)CC(C)=O 100901077 RMUMZDOSNRTHFK-ZDUSSCGKSA-N 386.422 0.402 0 1 GCAF CS(=O)(=O)N1CCC[C@H](Nc2nc(N)ncc2-c2cnc3[nH]ccc3n2)C1 168734127 VFFDONNNTMZBAM-JTQLQIEISA-N 388.457 0.833 0 1 GCAF CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc2ccc(=O)oc12 2356673889 QPAYBYCPZSAASE-LZRWSTQFSA-N 392.404 0.480 0 1 GCAF CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCC(=O)O)NC1=O 2356815569 CTCHFPZQWNZVNJ-YCPHGPKFSA-N 375.425 0.218 0 1 GCAF CC(C)CN1C(=S)N(Cc2cccs2)[C@@H]2[C@H](O)[C@H](O)C[C@H](C(N)=O)[C@H]21 2356846362 ONDRBOAYISTOOQ-VYDRJRHOSA-N 383.539 0.771 0 1 GCAF Cc1cccc(Cc2ccc[n+](CC(O)(P(=O)(O)O)P(=O)(O)O)c2)c1 13643034 AJQUNJBCHWSKMF-UHFFFAOYSA-O 388.273 0.875 0 1 GCAF C[C@@H](OC(=O)c1ccc(NC(=N)N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 27761281 AYKYHDWZQQKSPP-WBMJQRKESA-N 397.435 0.750 0 1 GCAF C[C@H](NC(=O)OCc1cc(=O)c(O)co1)C(=O)OCc1cc(=O)c(O)co1 28759005 QMUYNWUVPXDHNO-QMMMGPOBSA-N 381.293 0.362 0 1 GCAF N[C@H](Cc1nc2ccc3ncccc3c2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587217968 DOKHFGOEUOMLNA-ZWNOBZJWSA-N 385.380 0.415 0 1 GCAF C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605845 BEKFJEHPEIOIAV-JHRNMKBMSA-N 376.361 0.186 0 1 GCAF COc1ccc(NS(=O)(=O)C=c2nc(O)n3cccc3c2=O)cc1Cl 1857599637 ZZDMIGCKOCELLV-UHFFFAOYSA-N 381.797 0.961 0 1 GCAF NC1=NON[C@@H]1N1N=N[C@@H](c2n[nH]c(-c3ccncc3)n2)[C@H]1CN1CCCCC1 34641722 QOSJHIAXUCUPLN-PBFPGSCMSA-N 397.447 0.578 0 1 GCAF CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O 39796975 KYIIALJHAOIAHF-KKUMJFAQSA-N 381.477 0.426 0 1 GCAF CSc1ncnc2c1c(Br)cn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49015187 IRFZERSLBNKSOA-PPSWKLDYSA-N 376.232 0.527 0 1 GCAF CC(=O)Nc1ccc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1 238743691 NEAYHWVHKDPIJA-RNGZQALNSA-N 377.349 0.069 0 1 GCAF Cn1nc(-c2nc3c(N)ncnc3[nH]2)c(I)c1C(=O)O 587180644 IYWKKBVRHKQQPI-UHFFFAOYSA-N 385.125 0.638 0 1 GCAF O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 2356840608 MSQFDKZOYDQJAV-VBSBHUPXSA-N 386.356 0.983 0 1 GCAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(O)nc(O)nc3[nH]2)[C@@H](C)O)cc1 586937359 SYIJCQZVHVIHNW-GMSGAONNSA-N 395.397 0.173 0 1 GCAF Nc1ncnc2c1c(-c1cc(Cl)ccn1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1857562199 MWUWZKQKLIKTHQ-XNIJJKJLSA-N 377.788 0.340 0 1 GCAF COc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)NCc1ccccc1Cl 1857764442 XVDHRRSEEYRLKX-UHFFFAOYSA-N 391.815 0.412 0 1 GCAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)N1CCN(c2ncccn2)CC1 4556098 FRVOSNZECGLZFQ-MVJTYMMSSA-N 395.463 0.713 0 1 GCAF CC1=C2[C@H](C[C@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@]24OC5=O)OC1=O 40753053 KQXWWKYPPREDFP-VETRYGRWSA-N 390.388 0.814 0 1 GCAF in-vivo COC(=O)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](C(C)C)N2 82224245 MWAYVSHLNQDGKQ-CYBMUJFWSA-N 386.408 0.885 0 1 GCAF CCOc1ccc(S(=O)(=O)NCCO)cc1-c1nnc2c(n1)c(C)nn2C 169340988 AGPXNGZWLCRYJY-UHFFFAOYSA-N 392.441 0.403 0 1 GCAF COc1cc2nc(C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2cc1C 587218978 JHFXSWKFBPKBME-UWVGGRQHSA-N 378.385 0.184 0 1 GCAF CCN(CC)C(=O)[C@@H]1S[C@@H]2N[C@H](CSc3nc(N)n[nH]3)NC(=O)[C@H]2[C@@H]1C 618014432 OKBBIUCWXFSXIJ-FOKACVKASA-N 399.546 0.087 0 1 GCAF C=CC(=O)N1CC[C@@H](n2nc(-c3cnn(CCOC)c3)c3c(N)ncnc32)C1 1857767534 NVLPBDLHCCVMFQ-CYBMUJFWSA-N 382.428 0.878 0 1 GCAF CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC1=O 2356448438 DDXULJFDBNIPEQ-QRJUGERDSA-N 394.516 0.558 0 1 GCAF NCC(=O)N1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 13534244 UKMOUADRKGHLMZ-BEFAXECRSA-N 381.423 0.939 0 1 GCAF C[C@@H](N)C(=O)Nc1cccc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)c1 64502311 DIMWJXUQWLWBOJ-LLVKDONJSA-N 399.480 0.513 0 1 GCAF C[C@@H]1S[C@@H]2N[C@H](Cn3nnn(-c4ccccc4Cl)c3=O)NC(=O)[C@H]2[C@H]1C 618014113 GWLHCOAOMIXXPV-JJJPVPFUSA-N 394.888 0.842 0 1 GCAF Cc1ccc(CN2C(=O)[C@H]3C[C@@H](O)CN3C3(CN(CCC(C)C)C3)C2=O)o1 2356319154 HMXBYJVMHCNLRP-NVXWUHKLSA-N 375.469 0.993 0 1 GCAF CC(=O)OC[C@](O)(OC(C)=O)[C@@H]1CC[C@@]2(C)[C@H](O)CC[C@@](C)(O)[C@]2(C)[C@H]1O 85493368 QIGUPGWBVOCQPH-RAGVPMNTSA-N 388.457 0.490 0 1 GCAF biogenic,in-vitro CNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2nonc2C)CN1Cc1sccc1C 95521567 DGTZYZXKHYTWGO-OCCSQVGLSA-N 377.470 0.796 0 1 GCAF N=c1[nH]c2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)nc-2c(Cl)[nH]1 586941745 AZMUEZZXFWBSGD-UHFFFAOYSA-N 388.240 0.940 0 1 GCAF COc1cccc(C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O)c1 28466168 VPGDZRXPWSWXIT-UHFFFAOYSA-N 383.230 0.207 0 1 GCAF COc1ccc(Nc2ncnc3c2ncn3[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H]2O)cc1 48998623 OCCHDTZLVAQBNC-ZWUHOBOKSA-N 387.352 0.282 0 1 GCAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCN2CCNCC2)nc1 73293095 QPTPQJCHFTYWMD-UHFFFAOYSA-N 393.517 0.550 0 1 GCAF O=C(N[C@@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCCC3)N2C1)c1ccccc1 2356826113 HHPDMNWQAVZYSU-KURKYZTESA-N 384.480 0.760 0 1 GCAF O=P(O)(O)C(Nc1ccc(I)cn1)P(=O)(O)O 13532376 CAZODAPNWXQCTM-UHFFFAOYSA-N 393.998 0.737 0 1 GCAF Cc1c(O)n(Cc2cccc(F)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n2c1=O 40465203 PCKHBIPKBFADJB-UHFFFAOYSA-N 385.355 0.248 0 1 GCAF O=C(C[C@@H]1CC[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCCc1ccncc1 95907691 RUCVOXWJWAJZCT-FHWLQOOXSA-N 398.463 0.864 0 1 GCAF COC(=O)C1=C(C(=O)OC)[C@@H]2Nc3ccccc3[C@]23C[C@@H](C(=O)OC)NC3=N1 169335127 DNGPMQFGLGNMBH-NXPJVHOHSA-N 385.376 0.266 0 1 GCAF COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 299845391 DUTLCPVDWZIPRE-ADYPIIRDSA-N 384.429 0.204 0 1 GCAF COc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1F 587217341 BAEMITIVNZSWPH-BDAKNGLRSA-N 382.348 0.535 0 1 GCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](C)O)N1 587833887 PTGLJQVMVILWNZ-OWSOYYBLSA-N 378.238 0.627 0 1 GCAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)[C@H](O)C[C@H]1CN4C[C@H](C)[C@H](C=C[C@@]12O)[C@]43O 2356560170 TVUCVHPTQIJMKS-XYANNMEWSA-N 387.476 0.824 0 1 GCAF COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCOCC2)c(F)c1 14972050 PNOZBKDZXXRGMQ-QGZVFWFLSA-N 379.432 0.820 0 3 GCAF CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)NCc2ccc(C)cc2)[C@@H]3C1=O 13131408 SANJSHQAZAMVGY-VZRKHXGSSA-N 384.432 0.956 0 1 GCAF COc1cccc(CNC(=O)c2nc([C@H]3COCCN3C)n(C)c(=O)c2O)c1 14979387 JVHLCDFNIOKCED-CQSZACIVSA-N 388.424 0.428 0 1 GCAF CC(=O)c1ccc(NC(=O)N2CCN[C@@H](C(=O)N[C@H]3CCCNC3=O)C2)cc1 71405303 GEJHUNGEZMCRPA-JKSUJKDBSA-N 387.440 0.090 0 1 GCAF biogenic CN1CCOC[C@@H]1c1nc(C(=O)NCc2cccc(F)c2)c(O)c(=O)n1C 89774378 ASYOATIVYHJHJH-CYBMUJFWSA-N 376.388 0.558 0 1 GCAF CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccn2)O1 95887722 XTMFCURZJJHNFP-NXNVCVFFSA-N 377.441 0.357 0 1 GCAF O=P(O)(O)C(P(=O)(O)O)S(=O)(=O)c1ccc(Br)cc1 169351253 UVNARDNPHQIFFV-UHFFFAOYSA-N 395.060 0.862 0 1 GCAF Nc1nc(O)c2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2n1 586946058 GAQUYHAFKRUYPG-SNVBAGLBSA-N 390.425 0.765 0 1 GCAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)O[C@H]([C@@H](O)CO)C2=O 587843880 UVCUWHNIPOJVCP-NGILSWJISA-N 388.189 0.165 0 1 GCAF COc1cccc2c1CC[C@H](N1CCn3c(nc4c3c(=O)n(C)c(=O)n4C)C1)C2 1857608933 DYAFWGMDXBEDQU-AWEZNQCLSA-N 395.463 0.815 0 1 GCAF Nc1ncnn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc(-c3ccc(Cl)cc3)c12 1911570625 IJSDNULBQHJOOO-MIGQKNRLSA-N 376.800 0.786 0 1 GCAF CNC(=O)[C@H](C1CCCCC1)N1CCC[C@H]1C(=O)NCCN1CCOCC1 2356293718 JSCSJBSCJXELTF-ROUUACIJSA-N 380.533 0.594 0 1 GCAF CS(=O)(=O)N[C@@H]1CO[C@@H]2[C@H](Nc3nccc(-c4cccs4)n3)CO[C@H]12 2356823373 GMAXPTWWZWZPEU-HBJVGIJOSA-N 382.467 0.701 0 1 GCAF CS(=O)(=O)N[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2n1cc(COc2ccccc2)nn1 2356832083 JTMGAWFDYCHDTP-WCVJEAGWSA-N 380.426 0.114 0 1 GCAF COc1ccc(-c2nc(-c3cnccn3)n([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)n2)cc1 17221065 MAXJUEAKWIHQBA-ZXFNITATSA-N 385.380 0.022 0 1 GCAF CCCS(=O)(=O)N1CCN(Cc2noc(CCC(=O)N3CCCC3)n2)CC1 20562304 QAGXTYIANBDFNF-UHFFFAOYSA-N 399.517 0.482 0 1 GCAF CSCC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)O 27745688 RJVZMGQMJOQIAX-CABCVRRESA-N 392.481 0.476 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(NC/C=C/c4ccccc4)ncnc32)[C@H](O)[C@@H]1O 49792879 MDCJCFWFEUKYAR-KVUBEMIDSA-N 383.408 0.563 0 1 GCAF C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3C[C@@H]4CC[C@@H]3C4)ncnc21 101212150 CYNWVQQNSGCUDM-UVFSQJQYSA-N 375.429 0.428 0 1 GCAF COc1ccc2c([nH]c3c(C)nccc32)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 137749154 DCCRHRRPKQISNG-ZIIYPAMZSA-N 390.392 0.212 0 1 GCAF O=C(Nc1ccccc1Cl)[C@H](O)[C@@H](O)C(=O)N1CCC2(CCNC2=O)CC1 1857575508 HJWXDBDTCBTCKT-ZIAGYGMSSA-N 395.843 0.129 0 1 GCAF CC1=C(c2ccc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)CN2CCC[C@@H]2C1 2356563127 QUYDWYUNUYQKBM-IGALEPNSSA-N 391.464 0.507 0 1 GCAF CC1(C)S[C@@H]2[C@@H](NC(=O)[C@@H](C(=O)O)c3ccccc3)C(=O)N2[C@@H]1C(=O)O 1530578 FPPNZSSZRUTDAP-KZWBYHQPSA-N 378.406 0.487 0 1 GCAF C[C@@](O)(C[C@@H]1C[C@@](O)(CO)C(=O)O1)[C@@H]1COc2ccc3ccc(=O)oc3c2O1 14927532 GOTGCQAKGMYEPD-KRGWDZPISA-N 392.360 0.113 0 1 GCAF Nc1nc(NCCC2CCCCC2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 26575798 KVFIFVMFYLZJBZ-GDLHICMESA-N 392.460 0.402 0 1 GCAF N[C@@H]1CCCC[C@H]1Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205017566 VRVXDUAIFMNCRZ-YZDJHDEESA-N 397.443 0.561 0 1 GCAF CC(C)(C)c1ccc2nc(C[C@@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2n1 587218436 GRJORTBLHBWADH-KOLCDFICSA-N 391.428 0.559 0 1 GCAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C(=O)O[C@@H]2[C@@H](O)CO 587841682 NDGXLUNWLDEFJM-TUPNYRAFSA-N 388.189 0.165 0 1 GCAF CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@]2(O)C=C[C@](C)(O)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]12 2356375124 QDEBNXLKVXHODZ-XWVUKLMYSA-N 382.453 0.945 0 1 GCAF C[C@@H](O)[C@@H]1CC[C@@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)[C@@H](O)[C@]12C 2356505289 ZKHPKHVTGSOEKJ-JJUUDZPCSA-N 382.497 0.479 0 1 GCAF COC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C 61946359 UUDITCQIVHGHRN-YCPHGPKFSA-N 397.476 0.501 0 3 GCAF O=C(N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO)c1ccncc1 95676270 ZAWCCEHPCRSVNF-FGTMMUONSA-N 391.468 0.653 0 1 GCAF CCS(=O)(=O)N1CC2(CN[C@@H](CO)c3c2c2ccc(OC)cc2n3C)C1 95796028 NQQWMHQFBTYKIQ-AWEZNQCLSA-N 379.482 0.727 0 1 GCAF COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 95797843 MNXZFCVGXSKIEH-OPYAIIAOSA-N 381.432 0.893 0 1 GCAF CN(C)CC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO 95907496 VCIKDIOFMNBODN-ZACQAIPSSA-N 395.887 0.709 0 1 GCAF COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1C(C)(C)[C@@H]2CC[C@]1(C)C2 103041970 BCISGTOXCLDNRV-LGTDFWDSSA-N 384.429 0.204 0 1 GCAF CC1=C([C@H](C)CO)C[C@]2(O)[C@@]3(C)CC(=O)O[C@@]4([C@H](O)[C@H](C)CC[C@]34O)[C@@]12O 257601050 WIFHAKQJYHVTQK-JSODDAJDSA-N 382.453 0.025 0 1 GCAF endogenous,in-man O=C(O)[C@H](O)[C@H](O)c1nc2c(I)cnc(Cl)c2[nH]1 586886217 DZPZIQYSEQWVBS-NTSWFWBYSA-N 383.529 0.695 0 1 GCAF CC1CCC(NC[C@@H]2O[C@@H]3C[C@H](CC(=O)N4CCOCC4)O[C@H]3[C@@H]2O)CC1 2356293370 GMWXJJGRSWZOQW-IJTRPVGGSA-N 382.501 0.689 0 1 GCAF CC(=O)N1CCC(N[C@@H]2CO[C@@H](CNC(=O)c3ccc(F)cc3)[C@H]2O)CC1 2356596137 FWRVTHOQEANRFR-SQNIBIBYSA-N 379.432 0.284 0 1 GCAF CN(C)CCCNC(=O)C[C@@H]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1 95676021 IHGRXRHOBYYXJU-OKZBNKHCSA-N 392.500 0.107 0 1 GCAF O=C(N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO)c1ccncc1 95676277 ZAWCCEHPCRSVNF-KZNAEPCWSA-N 391.468 0.653 0 1 GCAF O=C(C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)NCCCN1CCOCC1 95904023 VSEYOWDNEXZEFM-SQNIBIBYSA-N 397.516 0.040 0 1 GCAF NC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 146298825 BNIHQVDQNDGOEY-FZMZJTMJSA-N 396.394 0.386 0 1 GCAF C[C@H]1O[C@@H](n2c(I)cc3c(N)ncnc32)[C@H](O)[C@H]1O 238774042 WMOMIBDLQSCJFM-VVRAEIQOSA-N 376.154 0.257 0 1 GCAF N=c1c2ncn([C@@H]3OC[C@@](O)(CO)[C@H]3O)c2ncn1Cc1cccc(Cl)c1 377364985 LJKYZCMQIKNORL-XKQJLSEDSA-N 391.815 0.027 0 1 GCAF Nc1nc(O)c2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2n1 586946052 GAQUYHAFKRUYPG-JTQLQIEISA-N 390.425 0.765 0 1 GCAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)N1 587829010 PTGLJQVMVILWNZ-BQHGUJCSSA-N 378.238 0.627 0 1 GCAF C=C1C(=O)O[C@@H]2C=C(CO)[C@@H]3O[C@@H]3[C@@H]3O[C@]3(C)C[C@H](OC(=O)/C(=C/C)CO)[C@@H]12 5496727 TZMBEJAHWVHDNJ-PXRSQLCBSA-N 392.404 0.182 0 1 GCAF Cn1cc(Br)c(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)n1 13153186 LMHHPCYJUBLDJT-FZPVVVMTSA-N 391.225 0.881 0 1 GCAF C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 14952306 RIRGCFBBHQEQQH-SYXAAPBMSA-N 385.424 0.481 0 1 GCAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@@H](NC(=S)NC4CCCCC4)CO[C@H]32)nn1 25425994 QLFYKBHQTHHMDU-YJNKXOJESA-N 395.485 0.569 0 1 GCAF biogenic O=C(CN1CCOCC1)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO 95903439 DICINUGHTLCIMB-SQNIBIBYSA-N 397.516 0.040 0 1 GCAF O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(C(=O)O)c1 115066649 PRLGSRUIIAWWRO-UHFFFAOYSA-N 376.344 0.625 0 1 GCAF C[C@@]12CC[C@@H]3C(=C[C@H]4OC(=O)[C@]5(C)[C@H]4[C@@]34CO[C@@]5(O)C[C@H]4O)[C@@H]1OCC2=O 238758443 CEUSNASAOYIILL-BGWRQIGISA-N 376.405 0.328 0 1 GCAF CN1CC[C@@]23C(=O)C[C@H]4C(=CCO[C@@H]5[C@H](O)C(=O)N(c6ccccc62)[C@H]3[C@H]54)C1 2356517680 QTACQHXNLDIUBW-SDFAOIKNSA-N 380.444 0.880 0 1 GCAF CN(C)c1cccc(CNC(=O)c2csc([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 61904233 YVVSZCHYULTORT-KLHDSHLOSA-N 393.465 0.293 0 3 GCAF CCOC(=O)CN1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 82131317 PSMYBLWBRIXXAK-UHFFFAOYSA-N 375.429 0.914 0 1 GCAF O=C(c1cnn(-c2nc(=O)c3cccn3[nH]2)c1)N1CCN2CC(F)(F)C[C@H]2C1 1857616752 BFFWVPHHXBMYOR-LBPRGKRZSA-N 389.366 0.374 0 1 GCAF CC(C)Cc1ccc([C@@H](C)C(=O)O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356344150 ABOLXXZAJIAUGR-QIVIFUPHSA-N 382.409 0.424 0 1 GCAF COC(=O)[C@H](CO)[C@@H]1C=C2[C@H](CC1)[C@@]13CO[C@@]2(O)[C@H](O)[C@H]1C(C)(C)CC[C@H]3O 2356413987 CXWSMSXODSNXPC-ZGBQYZKQSA-N 396.480 0.597 0 1 GCAF CCCCC[C@H](CC[C@H]1CCC(=O)O1)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356451954 YAZBAPFSBSLGJA-GMKBBOLHSA-N 376.446 0.238 0 1 GCAF COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc(F)cc3)S[C@@H]12 2356851268 QFRFHFKHWLEKFN-QTVXIADOSA-N 383.445 0.582 0 1 GCAF CN(C)CCN(C)[C@@H]1[C@H]2OC[C@@H](O2)[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H]1O 2356868234 WZQZUNJKBDVYDM-XAJHFOFHSA-N 382.436 0.294 0 1 GCAF Cc1ccc(-c2cn([C@H]3C[C@@H](O)[C@H](COP(=O)(O)O)O3)c(=O)[nH]c2=O)cc1 36238111 VXEMJHOYOBDZHI-HZSPNIEDSA-N 398.308 0.270 0 1 GCAF O=C(NC1CCCCC1)N[C@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO 95907805 WOVGJBDURFNDFR-YESZJQIVSA-N 383.489 0.776 0 1 GCAF C[C@@H]1CO[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]36[C@@H](OC[C@@H]6O)O[C@]4(C(=O)O5)[C@]21O 169355250 QOGPABQRGRYRDW-ZFOBMCHMSA-N 380.437 0.607 0 1 GCAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2cccc(F)c2)[C@@H](O)[C@H]1O 473125014 XXCWOXGAGNYPFJ-XNIJJKJLSA-N 389.343 0.024 0 1 GCAF CC(=O)O[C@H]1C[C@@](C)(OC(C)=O)C(=O)CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CO)[C@@H]12 525915096 RBVQQTSGUPXDEI-MMRXIVFTSA-N 398.408 0.301 0 1 GCAF biogenic COCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 95668764 UZFJFNKESOAZMD-HEHGZKQESA-N 383.242 0.593 0 3 GCAF CCOC(=O)C1CCN(C(=O)Cn2c(=O)c3ccccc3n(CC)c2=O)CC1 2923203 HYOBYTVRFSXNQI-UHFFFAOYSA-N 387.436 0.985 0 1 GCAF COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)c1ccc(C)cc1 14965721 BMHZOSJVDHAFEE-LLLHUVSDSA-N 393.484 0.564 0 1 GCAF N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C(=O)O)cc2)C1 27991995 NGBSCJVHPBUQQA-DZKIICNBSA-N 395.481 0.782 0 1 GCAF Nc1nc(OCCC2CCCCC2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49018685 VHMUQIWMOXQFBP-GDLHICMESA-N 393.444 0.369 0 1 GCAF CN1C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 95892328 GNSBZHYLXFLADR-KYOSRNDESA-N 398.437 0.913 0 1 GCAF O=C(NCCO)c1ccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc2c1 98209565 ZZSICYUMJCEEMH-UHFFFAOYSA-N 397.387 0.422 0 1 GCAF in-vitro C[C@@]1(C[C@@H](O)C2=C[C@H](O)OC2=O)[C@@H](C(=O)O)C[C@H]2OC(=O)C3=CCC[C@@H]1[C@]32C 238770299 DKTLNCFKLVNICZ-MFXKGNSBSA-N 392.404 0.918 0 1 GCAF NS(=O)(=O)c1ccc(CCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 586929270 CSUGHVKUTKXTLJ-UHFFFAOYSA-N 380.451 0.643 0 1 GCAF CN(C)CC(=O)N1CCC(Cn2nc(-c3cnn(C)c3)c3c(N)ncnc32)CC1 1857650404 QVPRNYGWSMUJFB-UHFFFAOYSA-N 397.487 0.609 0 1 GCAF Oc1ccc(C=Cc2cc(O)cc(O)c2O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc1 2356401098 SSPZYLNFWHZLPD-DWRORGKVSA-N 376.361 0.792 0 1 GCAF COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=S)N(c3ccc(Cl)cc3)[C@@H]12 2356835033 KNKMJCDXWJSQBE-SEBNEYGDSA-N 399.900 0.276 0 1 GCAF Nc1nc(N)c2ncn(C[C@@H](CO)C[C@H](c3ccccc3)P(=O)(O)O)c2n1 1633682 KAQNXSYMGQYOGG-CMPLNLGQSA-N 392.356 0.908 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5cc(O)ccc54)ncnc32)[C@H](O)[C@@H]1O 13649445 VGUMDIPNXQFLGI-BPAMBQHCSA-N 399.407 0.243 0 1 GCAF O=C(O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)CCC2CCNCC2)C1 26400077 STDOMSNWECYYRP-AWEZNQCLSA-N 375.491 0.009 0 1 GCAF CCNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)OC)SC1(C)C 40690512 JHFOAZUXVZONIT-YQQAZPJKSA-N 393.509 0.833 0 1 GCAF O=C(C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NC1CCCCC1 95676156 NIFMHKNMYGHVIX-RCCFBDPRSA-N 397.516 0.182 0 1 GCAF N[C@@H](CC[P@](=O)(O)[C@@H](O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)O 148618110 INJZQYHSHJHLEI-WRWORJQWSA-N 379.218 0.272 0 1 GCAF CN1C(=O)CN(c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)C1=O 205271551 KIBZGUOKQUDIFC-UHFFFAOYSA-N 392.423 0.828 0 1 GCAF Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3S)CC2)c1=O 299833717 ZIOYTCNZJKIXGC-UHFFFAOYSA-N 375.498 0.833 0 1 GCAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](O)[C@@H](O)CO)[nH]c2c1 586893402 XRGYOXJBJXFQHE-HOCLYGCPSA-N 393.421 0.759 0 1 GCAF COc1cc2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2cc1F 587223026 VDHGEQKLODWYBS-DTWKUNHWSA-N 382.348 0.015 0 1 GCAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C(=O)O[C@@H]2[C@@H](O)CO 587841679 NDGXLUNWLDEFJM-NNWVGSLSSA-N 388.189 0.165 0 1 GCAF O=C(O)C1C[C@@H]2CC[C@H](C1)C21c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963216536 DKDANBMRRQWYLZ-RTYVKDIHSA-N 384.436 0.884 0 1 GCAF COCC(=O)NC[C@@H]1OC[C@H](N(Cc2ccncc2)Cc2ccncc2)[C@@H]1O 2356287007 BOQLJRBZUMPWED-BJLQDIEVSA-N 386.452 0.370 0 1 GCAF COCC(=O)N[C@@H]1CCC[C@H](C(=O)NCc2cc(C)on2)CC(=O)N(C)C1 2356320602 UMYPPMZBGJPNMD-UONOGXRCSA-N 380.445 0.379 0 1 GCAF CC(C)NC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)NCc3cccnc3)O[C@@H]2[C@@H]1O 2356551284 XWYAHQBCPREIHI-XHHISWJOSA-N 392.456 0.081 0 1 GCAF COc1cc2c(cc1C(=O)O[C@@H]1C[C@H](O)[C@@H](O)[C@@H](CO)O1)C=CC(C)(C)O2 2356642892 YJUJLRYCXFHYKX-WBQNTZJQSA-N 380.393 0.865 0 1 GCAF CCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2OC[C@H](C(=O)O)CO[C@H]12 2356867610 WTWRXXXNMXJOQP-DKTDACPLSA-N 376.402 0.063 0 1 GCAF Cc1cn([C@H]2C[C@H](O)[C@@H](CNCc3ccc4ncccc4c3)O2)c(=O)[nH]c1=O 61922251 BOUBNXQOTNLPNL-RCCFBDPRSA-N 382.420 0.831 0 3 GCAF O=C(O)[C@H](CCc1ccccc1)N[C@H]1CCN2CCC[C@@H](C(=O)O)N2C1=O 13599964 BQCCHANYSPTLJA-JYJNAYRXSA-N 375.425 0.727 0 1 GCAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)C(F)(F)F)C(=O)O 27322979 ZSMNBWFERVDOGA-ZJUUUORDSA-N 376.287 0.019 0 1 GCAF NCC(=O)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2 82209945 SEDBHZJZVBSEAC-INIZCTEOSA-N 391.431 0.970 0 1 GCAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)[C@@H]2N1C(=O)C1CC1 100142067 PWZYYMZVJGTKPX-GCBZNJMTSA-N 385.464 0.918 0 1 GCAF COC(=O)c1cc(Br)c2[nH]c(CNCCNCC(=O)O)nc2c1 587229378 WLBDWPKBFHOJRD-UHFFFAOYSA-N 385.218 0.876 0 1 GCAF COc1ccc(C(=O)N2C[C@H]3COCCN3C3(CN(Cc4cnc[nH]4)C3)C2)cc1 2356305620 RIZXRLSDYXQNNZ-SFHVURJKSA-N 397.479 0.830 0 1 GCAF COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@@H]2N=C(C(C)=O)[C@@H]3[C@H]4CO[C@H]1[C@@H](O)[C@]243 2356615909 PDQWKABOOJGRIL-SNGLBQGBSA-N 398.415 0.649 0 1 GCAF O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2c[nH]cn2)CC1 6771480 ABTCZQKNPGLGCW-UHFFFAOYSA-N 392.437 0.856 0 1 GCAF CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N(C)C)O[C@H](CO)[C@H]1O2 95900378 QAHMIWPLJULOCY-PCFVDWANSA-N 391.468 0.659 0 1 GCAF CN1CCC(CNC(=O)[C@@H](N)CCCNC(=N)N)(Nc2ccccc2)CC1 299819177 ALXATRYNMFDYIV-INIZCTEOSA-N 375.521 0.270 0 1 GCAF CCC(CC)O[C@@H]1C=C(C(=O)NCCN2CCOCC2)C[C@H](N)[C@H]1NC(C)=O 1857633302 JDEVWUKWJJJCSY-IPMKNSEASA-N 396.532 0.171 0 1 GCAF CC1(C)CC[C@@H]2OC(=O)[C@]34C[C@@H]5[C@H](OC[C@@H]5C3=O)[C@H](O)[C@@H]4[C@]23CO[C@@H](O)[C@H]13 2356384190 CWVXJOWTWLNNLJ-KRTFAGGOSA-N 378.421 0.264 0 1 GCAF Cc1ccc(-c2cn([C@]3(CO)O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)nn2)cc1 103297643 UDVCTFGZZJWFSN-FRQCXROJSA-N 399.407 0.037 0 1 GCAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(O)nc(N)nc4[nH]3)c2N)C1 586954779 GZFBVLSIGCXXDG-UHFFFAOYSA-N 375.414 0.208 0 1 GCAF Cc1cc2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2cc1Cl 587218947 MPEJXCFJUVQQCU-ZJUUUORDSA-N 382.804 0.829 0 1 GCAF O=C(O)[C@H]1O[C@H](O[C@@H]2c3cc4ccccc4cc3C=C[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356668645 XDINSFLXNJMABQ-ZVDAJOARSA-N 388.372 0.177 0 1 GCAF CCN[C@H]1CN(CCOCC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 8577174 BHFKHYVXDQDFSR-JTQLQIEISA-N 383.517 0.087 0 1 GCAF in-vitro CC(=O)O[C@@H]1C[C@@](C)(OC(C)=O)C(=O)CC[C@@]2(C)O[C@@H]2[C@@H]2OC(=O)C(CO)=C12 15199153 BPDADBRYLMRNAV-RFKJWAKASA-N 396.392 0.365 0 1 GCAF COc1ccc(CN2C(=O)[C@](O)([C@H]3C(=O)N=C(N)N3C)c3ccccc32)cc1 64373245 CGGGZVVDNKXKHT-OXQOHEQNSA-N 380.404 0.585 0 1 GCAF O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1nccs1 95676125 BGYIYMFDHNUKRK-BFHYXJOUSA-N 383.470 0.923 0 1 GCAF Cc1csc(CNC(=O)CC[C@@H]2C(=O)N[C@@H](N3CCOCC3)N[C@H]2C)n1 618015014 MIHODIPQMRRNKL-DCGLDWPTSA-N 381.502 0.188 0 1 GCAF CC(C)NC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCC(F)(F)C3)O[C@H]2[C@@H]1O 2356294515 PSGIAMLEVXXCPN-GGUBGCTKSA-N 391.415 0.238 0 1 GCAF O=C(O)[C@H]1O[C@H](Oc2cccc(-c3nc4ccccc4o3)c2)[C@@H](O)[C@H](O)[C@H]1O 2356554315 UIEIONZXVNFNLL-CLLBMXBRSA-N 387.344 0.766 0 1 GCAF Cc1c(C(=O)NCCC(=O)O)cn2c1C(=O)N(CCC1CCNCC1)CC2 27526512 PEEINJHVVANEMN-UHFFFAOYSA-N 376.457 0.847 0 1 GCAF OC[C@@H]1O[C@@H](n2cnc3c(N[C@H]4CCOc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 36272009 ZYNGQOBUZLONDV-OWLWOLCLSA-N 399.407 0.374 0 1 GCAF COC(=O)c1ccc(-c2ccc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cc2)cc1 53313601 MHSXVUJORQQJOJ-ILRSOXBSSA-N 390.388 0.319 0 1 GCAF CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CCOCC2)O1 95885553 LGGFTYBQIURINE-XDNAFOTISA-N 398.500 0.465 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(F)cnc(Cl)c2[nH]1 587218104 FFGXJJHQJGPAGW-RQJHMYQMSA-N 387.755 0.575 0 1 GCAF COc1ccc(CN2C(=O)[C@@H]3C/C(=C\N(C)C)C(=O)N3[C@H]2N(C)C)c(OC)c1 1911574387 WSDGZSWMCYHBMC-ZNYXBFLZSA-N 388.468 0.938 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCOCC3)[C@@H](O)[C@H]2O1)N1CCC(F)(F)C1 2356316388 FMZQURMPMOGGLE-CTTHAOKLSA-N 390.427 0.299 0 1 GCAF COc1ccc(-c2ccc3c(c2)C(=O)N2CCN(C(=O)CN)C[C@H]2C(=O)N3)cc1 4236049 XXQUAQGRSSOAKV-SFHVURJKSA-N 394.431 0.926 0 1 GCAF biogenic COC(=O)CCn1nnnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N 28824994 AWZYAFVOPINYSN-OAHLLOKOSA-N 399.455 0.855 0 1 GCAF OC[C@@H]1O[C@@H](n2cnc3c(N[C@@H]4CCc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1O 36271908 XAQBEKCHNPBVBO-QUYZETPZSA-N 397.435 0.407 0 1 GCAF COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C)nn3ccccc23)n1 103185168 XDVPIXRSRDWIDC-UHFFFAOYSA-N 392.397 0.960 0 1 GCAF Cn1nc(-c2ccncc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C 144089417 NIWUIMJOEVCBPK-UHFFFAOYSA-N 394.439 0.429 0 1 GCAF CN(C)CC(=O)N1CCC[C@@H](Cn2nc(-c3cnn(C)c3)c3c(N)ncnc32)C1 1857769705 MINVBYABALSTPG-CYBMUJFWSA-N 397.487 0.609 0 1 GCAF CCC(CC)O[C@@H]1C=C(C(=O)N[C@@H](C(=O)O)C2CC2)C[C@H](N)[C@H]1NC(C)=O 1857773028 MPEOTIRODXHGOQ-YLFCFFPRSA-N 381.473 0.702 0 1 GCAF COC(=O)[C@@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)N1CCOCC1 4260763 NEDLYZOQUWHAJE-HNNXBMFYSA-N 376.413 0.830 0 1 GCAF biogenic CC(=O)O[C@H]1CO[C@@H](Nc2ccc(C(=O)O)cc2)[C@H](OC(C)=O)[C@H]1OC(C)=O 28761464 AWKBHLIGHXPDOV-MWDXBVQZSA-N 395.364 0.948 0 1 GCAF NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)O 39810934 ZVRJWDUPIDMHDN-IKGGRYGDSA-N 390.484 0.246 0 1 GCAF biogenic COc1ccccc1CNC(=O)C[C@H]1C=C[C@@H](NC(=O)CN(C)C)[C@H](CO)O1 95678135 YJKUDHPPBXQQCK-NUJGCVRESA-N 391.468 0.064 0 1 GCAF C[C@@H]1CO[C@H]2C[C@@]34[C@@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](O)CO[C@@H]6O[C@]4(C(=O)O5)[C@]21O 101080168 QOGPABQRGRYRDW-ZBQWRCGCSA-N 380.437 0.607 0 1 GCAF C[C@H]1C[C@]2(C)O[C@]1(O)[C@H]1C(=O)O[C@@]34C[C@@H](C)[C@]5(C)O[C@]13[C@H](C[C@H]4[C@@H]5O)C2=O 2356340966 CHADCZMFKCJUSP-DFLZKLRLSA-N 378.421 0.549 0 1 GCAF CC(C)=CCc1cc2ccc(=O)oc2cc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356506364 JXJVEFKMRYWWHW-XZEJUNMKSA-N 392.404 0.480 0 1 GCAF CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)OCC(=O)N3)CC1 3015525 HGJYZBGSVKVNCE-UHFFFAOYSA-N 383.426 0.917 0 3 GCAF CC(C)(CNC(=O)N1CCOCC1)NC[C@@H](O)COC(=O)c1ccccc1F 25970017 YUDVGSONQUSBKH-CQSZACIVSA-N 397.447 0.753 0 1 GCAF COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)C(F)(F)F)C(=O)O 27322984 ZSMNBWFERVDOGA-UWVGGRQHSA-N 376.287 0.019 0 1 GCAF N[C@]1(C(=O)O)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 29483185 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383.433 0.589 0 1 GCAF COc1cc(=N)[nH]cc1-c1nc(N2CCOC[C@H]2C)c2c(n1)N1CCOC[C@H]1C2 1857594067 IXCKXAAJTCORGW-CHWSQXEVSA-N 398.467 0.946 0 1 GCAF CCCc1cc(=O)oc2c(C)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12 2356742014 LQJHRLIIURBLAN-LXJHJBAVSA-N 380.393 0.233 0 1 GCAF O=C(O)c1cccc(-c2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1 169714658 SCIBHVOFQINYLN-ZQOJQMTGSA-N 376.361 0.231 0 1 GCAF COc1ccc(CN2C(=O)[C@@](O)([C@H]3C(=O)NC(=N)N3C)c3ccccc32)cc1 195249085 CGGGZVVDNKXKHT-UZLBHIALSA-N 380.404 0.795 0 1 GCAF N[C@H]1[C@H](N(CCO)C(=O)/C=C/c2ccco2)C(=O)NC(=O)N1Cc1ccccc1 215379119 HICSAJMYQVYGAK-CWDJHMJFSA-N 398.419 0.519 0 1 GCAF CC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)C3=C[C@H]4NC=C[C@@H]4N=C3)CC1)C2 261191972 ZMPVRIFDVCHSNA-DLBZAZTESA-N 394.479 0.976 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(F)cnc(Cl)c2[nH]1 587218102 FFGXJJHQJGPAGW-RNFRBKRXSA-N 387.755 0.575 0 1 GCAF CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2nc(=O)c3cccn3[nH]2)c1C 1857610028 CBFXHPIRCVGCJK-OKILXGFUSA-N 381.440 0.825 0 1 GCAF CN(C)CCn1c(=O)n(C)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21 1857649627 ZTCBWQMJJZDTPV-UHFFFAOYSA-N 380.470 0.093 0 1 GCAF CC=C(C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)([C@@H](C)O)C(C)(C)O)[C@H]12 2356544880 HRSGCYGUWHGOPY-KHTYJDQRSA-N 397.468 0.305 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)[C@H](C)C2 14682697 UQYNGSPDPASNLN-JGMRSBMDSA-N 380.437 0.037 0 1 GCAF endogenous,in-man CCCc1c(O)n(Cc2ccccn2)c2nc3c(c(=O)n(C)c(=O)n3C)n2c1=O 34090824 DQJFGZMYBIHBOT-UHFFFAOYSA-N 396.407 0.148 0 1 GCAF CC(C)Cc1ccc([C@@H](C)C(=O)O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 44021007 ABOLXXZAJIAUGR-DWLNTAEMSA-N 382.409 0.424 0 1 GCAF biogenic COCCOc1nc(N)c2nc(O)n(Cc3cccc(CC(=O)OC)c3)c2n1 49067255 UICNECIXFRNYJM-UHFFFAOYSA-N 387.396 0.903 0 1 GCAF CS(=O)(=O)Nc1cccc(-c2cnc(N)c(C(=O)NC[C@@H]3CCNC3)n2)c1 84635751 DAFQDJRRSBQVLT-LLVKDONJSA-N 390.469 0.437 0 1 GCAF COc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1OC 587217870 CXNQEYSQWCVHGS-DTWKUNHWSA-N 394.384 0.404 0 1 GCAF CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](C[C@H](O)[C@@H]3[C@]23CO[C@H](O)[C@H]13)[C@](C)(O)[C@@H]4O 2356621149 QMCAKDVKAVSTQB-QBLCJSRJSA-N 382.453 0.182 0 1 GCAF O=C(N[C@@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO)c1ccncc1 95676279 ZAWCCEHPCRSVNF-RCCFBDPRSA-N 391.468 0.653 0 3 GCAF CN(C)CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 206065054 JNHSKCMGRXWVPH-CPUCHLNUSA-N 396.285 0.508 0 3 GCAF Nc1nc2c(ncn2C[C@H](CO)C[C@@H](c2ccccc2)P(=O)(O)O)c(=O)[nH]1 1633681 LDONEGMWBLHASZ-PWSUYJOCSA-N 393.340 0.619 0 1 GCAF CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O 4899808 PMKQKNBISAOSRI-JYJNAYRXSA-N 377.441 0.478 0 1 GCAF COc1cc(C[C@@]2(O)C(=O)OC[C@]2(O)Cc2ccc(O)c(OC)c2)ccc1O 14766716 RKDJNIXOFXZWST-WOJBJXKFSA-N 390.388 0.919 0 1 GCAF biogenic COc1cccc(-c2nc(-c3cnccn3)n([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)n2)c1 17221074 BVGMWMNHVBJEKV-BSXFFOKHSA-N 385.380 0.022 0 1 GCAF COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](O)[C@H](N)CCCCN 27995235 CGMUBURMPMVFHE-OIISXLGYSA-N 376.457 0.185 0 1 GCAF Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3S(N)(=O)=O)ncc1CC2 49072211 YLYRUFVSUXSETO-UHFFFAOYSA-N 399.436 0.466 0 1 GCAF CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N(C)C)O[C@@H](CO)[C@H]1O2 95900373 QAHMIWPLJULOCY-IDVHHABFSA-N 391.468 0.659 0 1 GCAF CCOC(=O)C[C@@H](NC(=O)[C@@H]1CCCN1)[C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC 98084060 IJMHYLUDNWVNQH-TWRVGDEZSA-N 386.445 0.068 0 1 GCAF CCOC(=O)C[C@@H](N[C@H](C(=O)O)C(C)C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC 103292323 IPJMZQULLZKRKG-UTSBAQOOSA-N 389.445 0.898 0 1 GCAF N[C@H]1CC[C@H](Nc2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)CC1 117821597 NHXZVVIDPXHKJF-OWDBWLNLSA-N 397.443 0.561 0 1 GCAF C[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(CO)C(CO)=CCC[C@@H]2[C@@]12C[C@@H](c1ccoc1)OC2=O 238783523 ZEXDLMSVDFUXBS-CJVSHVTCSA-N 378.421 0.933 0 1 GCAF CS(=O)(=O)c1cccc(N=c2[nH]c(N3CCC[C@H](N)C3)ncc2C(N)=O)c1 1911578591 QFNMVMRJMWANBY-NSHDSACASA-N 390.469 0.072 0 1 GCAF O=S(=O)(NCC1(COc2cnccn2)C[C@H](O)[C@@H](O)C1)c1ccc(F)cc1 2356691429 JFYNFUAEEHOVKD-GJZGRUSLSA-N 397.428 0.475 0 1 GCAF COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1C(=O)C1CCNCC1 4260767 QAEAKEOYNWYQLM-INIZCTEOSA-N 395.481 0.061 0 1 GCAF biogenic CC[C@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)O 15956014 KBBYQRYOSLVUEW-BBATYDOGSA-N 390.392 0.904 0 1 GCAF biogenic CSCC(=O)N[C@@H]1CCN2C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H]2C1 36361081 SMRDDDIGEHSBLB-YUELXQCFSA-N 377.466 0.272 0 1 GCAF biogenic C[C@@H]1N=C2c3ncn([C@@H]4O[C@@H](CO)[C@H](O)[C@@H]4O)c3N=CN2[C@H]1c1ccccc1 49018302 JRYXPZRNIIPBTF-OBTHQOFASA-N 383.408 0.360 0 1 GCAF CC(=O)O[C@H]1[C@@H]2[C@@H](O)[C@]3(OC2(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@H]1O 72175341 HTKODPPFQUGBMU-GQJRUFTLSA-N 386.441 0.300 0 1 GCAF CCCn1c(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)n[nH]c1=O 73197756 CNPMPTZEIFPRNR-UHFFFAOYSA-N 384.458 0.840 0 1 GCAF Cn1c(=O)c2c(nc([S@](=O)CCc3ccc(Cl)cc3)n2C)n(C)c1=O 95563225 RXRCBGJUIBQYOP-VWLOTQADSA-N 380.857 0.974 0 1 GCAF CN1C(=O)N(C)C(=O)C([C@@H]2CC[C@@H]3OC[C@@H]2O3)([C@H]2CC[C@H]3OC[C@@H]2O3)C1=O 100151305 HVJJWUFDYHBIHK-WHCZJHEKSA-N 380.397 0.326 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(NCOCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 199996110 SGPCYJKVNBOQNX-SCFUHWHPSA-N 387.396 0.024 0 1 GCAF O=C(OC[C@@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1 238740678 FTFZXPBVBBJTHV-HTBDUDNFSA-N 392.360 0.141 0 1 GCAF CC(C)[C@]1(O)CC(=O)[C@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@@]31C)[C@H](O)[C@H](C)CC[C@@]42O 257445107 IJPNDQQOKFKBRG-ISDREBGUSA-N 382.453 0.311 0 1 GCAF endogenous,in-man O=C(O)[C@@H](O)[C@H](O)c1nc2c(I)cnc(Cl)c2[nH]1 586886238 DZPZIQYSEQWVBS-WDSKDSINSA-N 383.529 0.695 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc3ncccc3c2[nH]1 587220095 MOIOTACDEGKAEB-GWCFXTLKSA-N 385.380 0.935 0 1 GCAF N[C@@H](CN1C=C[C@]2(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)C(=O)C1)C(=O)O 962762528 JKBCKWQIYXEJRM-OGHNNQOOSA-N 397.353 0.338 0 1 GCAF Cc1c(C(=O)N2CCCN(C3CC3)CC2)cnn1-c1nc(=O)c2cccn2[nH]1 1857579855 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XBYSPFLEJFBIBJ-WOUKDFQISA-N 390.181 0.647 0 1 GCAF CN1CCNC[C@@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C 23361061 AHOZQSJDGWQTGZ-CYBMUJFWSA-N 375.404 0.131 0 1 GCAF Nc1nc(Sc2ccccc2)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 29401438 ICYRARAHDADHPZ-LIBKGXAOSA-N 375.410 0.171 0 1 GCAF O=C1CN(c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)CCN1 205247018 FTQIZXVNFDCIQI-UHFFFAOYSA-N 378.440 0.366 0 1 GCAF O=C(O)C(=O)NCc1ccc(NC(=O)[C@@H](c2ccccc2)S(=O)(=O)O)cc1 473089541 RMVMJXLPGBIHCL-CQSZACIVSA-N 392.389 0.955 0 1 GCAF Cc1c(C(=O)N2CC[C@H](N3CC[C@@H](F)C3)C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857597461 MXQVGHMDTGXXKL-KGLIPLIRSA-N 399.430 0.775 0 1 GCAF COc1c2ccc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2nc2occc12 2356486283 MANGJQNDTWAGAR-JSEZXORMSA-N 377.349 0.168 0 1 GCAF c1cnc(O[C@@H]2CO[C@H]3[C@@H](n4nnnc4Sc4ncccn4)CO[C@H]32)nc1 2356628679 BDUBKGQCYMBJKR-USZNOCQGSA-N 386.397 0.191 0 1 GCAF O=C(NC[C@@H](c1ccc2c(c1)OCO2)[C@@H](O)[C@H](O)[C@@H](O)CO)c1ccccc1 29042156 CQQQOEUKGROKOZ-ILRDRHFLSA-N 389.404 0.004 0 1 GCAF Cc1noc(C)c1C(=O)Oc1ccc(C[C@@H](NC(=O)C(=O)O)C(=O)O)cc1 45369723 YDJVQPNZPKNXQW-GFCCVEGCSA-N 376.321 0.707 0 1 GCAF CN(C)CCCNC(=O)C[C@@H]1C=C[C@H](NC(=O)c2ccccc2F)[C@H](CO)O1 95675582 XEUNAZXFOLKMJY-WBAXXEDZSA-N 393.459 0.698 0 1 GCAF COCC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccccc2OC)O[C@H]1CO 95906785 SKKODOPUHLUDOU-ZOBUZTSGSA-N 378.425 0.149 0 1 GCAF CCS(=O)(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccc(F)cc2)O[C@H]1CO 95908238 AXKSOFKOICMKIG-PMPSAXMXSA-N 388.461 0.680 0 1 GCAF CNS(=O)(=O)NCc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 586941618 CUASWHLATJRJEN-UHFFFAOYSA-N 377.220 0.666 0 1 GCAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)O[C@H]([C@@H](O)CO)[C@@H]1OCC 587485899 KILZSTGLZNHZSZ-LKCYJCQHSA-N 380.393 0.732 0 1 GCAF Cc1cc([C@H](O)[P@](=O)(O)CC[C@@H](N)C(=O)O)cc(C)c1OCC(=O)O 1772610883 HECCCCVGDLWFAY-IAQYHMDHSA-N 375.314 0.830 0 1 GCAF OC[C@H]1O[C@@H](Oc2ccc(O)cc2CCc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O 2356618842 LGJLOYKMPSDLGH-UJMXGEILSA-N 392.404 0.062 0 1 GCAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCC(=O)NCc2ccccc2)[C@@H](O)[C@H]1O 95604924 IWCBQYZADCZTMY-BGIGGGFGSA-N 398.423 0.124 0 3 GCAF COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](O)[C@@H](N)CCCCN 13451231 CGMUBURMPMVFHE-UAGQMJEPSA-N 376.457 0.185 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)C(C)(C)C2 14683009 QFXWNTWJLHHEKX-GMLXXTDQSA-N 394.464 0.427 0 1 GCAF endogenous,in-man CNC(=O)O[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS[C@H]12 26567805 UEEQIYBTLJFDGK-WCQYABFASA-N 386.426 0.785 0 1 GCAF Nc1nc(O)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 1772613538 YWVPHFFLGASJKI-HLXLPKMUSA-N 389.437 0.556 0 1 GCAF CC[C@@H]1Cc2cc(O[C@@H]3O[C@H](CO)[C@H](OC)[C@@H](O)[C@@H]3O)c(C)c(O)c2C(=O)O1 2356520759 YARHXHDQYZMBQS-VOHDMIFFSA-N 398.408 0.025 0 1 GCAF N=C(N)c1ccc(C2=NO[C@@H](CC(=O)NC(CC(=O)O)CC(=O)O)C2)cc1 13763275 YEXSQMPJEICASR-GFCCVEGCSA-N 376.369 0.288 0 1 GCAF CN(C)C(=O)CC[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)CF 28568309 HMXBVASPAGOLIL-CQSZACIVSA-N 381.404 0.805 0 1 GCAF CCC(CC)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C(=O)NC(C)C)[C@@H](O)[C@@H]1O 29413749 WPNYHTHRKZZXST-UYAYXHRUSA-N 392.460 0.571 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(N[C@@H]4CCc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1O 49054667 XAQBEKCHNPBVBO-SODDHMGDSA-N 397.435 0.407 0 1 GCAF CC1=C([C@H](C)CO)C[C@]2(O)[C@]1(O)[C@]13OC(=O)C[C@@]2(C)[C@]1(O)CC[C@H](C)[C@@H]3O 100778664 WIFHAKQJYHVTQK-PPTBOUNBSA-N 382.453 0.025 0 1 GCAF endogenous,in-man CC(=S)N[C@@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@H](O)[C@H]1O 254081815 ZDAVWYMHGAWTAW-NBZXXOOGSA-N 395.433 0.225 0 1 GCAF CC(=O)Nc1cncc(OCC(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 1772589968 WXKGPKCGEVXDOO-IBGZPJMESA-N 398.463 0.954 0 1 GCAF C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H]3[C@@H]2C(=O)[C@]24C(=O)N(C)[C@H](CO)[C@]2(O)O[C@H](C)[C@H]34)C1 2356479557 UZVYFDUZOXCUAP-ZPCOPLEJSA-N 375.465 0.967 0 1 GCAF CC=Cc1cc(=O)c2c(C)cc(OC)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2o1 2356545648 MLEBNHHZBNKVMI-NLXNBFQESA-N 392.404 0.658 0 1 GCAF CN1CCC(N2CC[C@@H]3[C@@H]2C(=O)NC[C@@H](CCC(=O)N2CCCC2)N3C)CC1 2356824233 GTSNOFFXHCIJBD-QWFCFKBJSA-N 391.560 0.356 0 1 GCAF CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)O 29474212 BXHRXLMCYSZSIY-ZCPGHIKRSA-N 391.468 0.787 0 1 GCAF CC(C)C[C@H](NC(=O)c1ccc(C2(O)COC2)c(OCC2CC2)n1)C(N)=O 207733749 FIYDSHDVBQXWDN-HNNXBMFYSA-N 377.441 0.718 0 1 GCAF C[C@@H](O)CNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 4548125 SFPOVYDBJGXTPE-UWWQBHOKSA-N 384.436 0.774 0 1 GCAF CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)OC(C)=O)[C@@H]12 14556156 JBYCUUBCNYWXMY-JOCQJMSRSA-N 383.441 0.814 0 1 GCAF biogenic CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CN(C(=O)/C=C/CN3CCCCC3)C[C@H]12 28000309 NFSSMVLQBBUNAH-RDLYNPLESA-N 397.541 0.930 0 1 GCAF CCCCCc1ccc(-c2nc(C(N)=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1 45260480 KRERIPCGHRKHKS-DEXNDLTESA-N 390.440 0.388 0 1 GCAF Cc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C(C)C)cc1 95576202 FEHGENIPHHWALU-NWDGLCLDSA-N 392.452 0.611 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399.488 0.755 0 3 GCAF COc1ccc(CNC(=O)CCNC(=O)/C=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1 29339835 LFHLTAGVARHNAA-BQYQJAHWSA-N 386.408 0.216 0 1 GCAF CC1(C)O[C@H]2[C@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 84587401 AMEJUCGWZIFBAU-YXMPFFBPSA-N 379.431 0.529 0 1 GCAF O=c1[nH]c(O)c(Cc2ccc(OCCN3CCS(=O)(=O)CC3)cc2)s1 169700824 NYFHSGIKXJWKQX-UHFFFAOYSA-N 384.479 0.842 0 1 GCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NCC4CCOCC4)nc23)N1 205045884 VNKSYNOCLKZDBW-QPEQYQDCSA-N 398.427 0.717 0 1 GCAF CCO[C@H]1CC(=O)[C@@H](C)OC(=O)C[C@H](C)OC(=O)/C=C/[C@@H](O)[C@H](C)OC1=O 238753618 FRSLVQFQUNGOIH-KMLUDYEMSA-N 386.397 0.467 0 1 GCAF CC[C@H](C)c1cc(O)cc(O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@@H](O)[C@@H]1O 238753681 CKKRFEDAIIVHNY-BAYLSVCJSA-N 386.397 0.361 0 1 GCAF CCCCCCn1cc(CN2C[C@H](N3CCN(C)CC3)CS2(=O)=O)nn1 96020938 XKPHDUBTCSXZFX-KRWDZBQOSA-N 384.550 0.620 0 3 GCAF CN1c2ccccc2N2C(=O)CN(CCN3CCOCC3)C(=O)[C@@H]2c2cccn21 32017145 FSNMYDNCHIJAGN-FQEVSTJZSA-N 395.463 0.950 0 1 GCAF NCCN(CCO)CCOC(=O)CNC(=O)c1csc(-c2ccccc2)n1 82071880 UVSFLRAQLJSJOL-UHFFFAOYSA-N 392.481 0.336 0 1 GCAF COc1ccccc1CNC(=O)C[C@@H]1C=C[C@H](NC(=O)CN(C)C)[C@@H](CO)O1 95678137 YJKUDHPPBXQQCK-XYJFISCASA-N 391.468 0.064 0 1 GCAF O=C(NCc1ccncn1)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 95881636 QFGPTMNHKNKAJU-SMMRIJLZSA-N 395.463 0.328 0 1 GCAF COc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1C 587219730 LKVUCCJJZCKJNP-VHSXEESVSA-N 378.385 0.704 0 1 GCAF O=C1NCN[C@@H]2CN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC[C@H]12 618014051 MUZQAMWIVOTKNO-NWDGAFQWSA-N 379.360 0.641 0 1 GCAF C[C@]12[C@@H](O)C[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@@H](O)CO 2356673512 KSKRJBLNVSEHHN-VDHNCCBASA-N 382.497 0.624 0 1 GCAF CN1CCOC[C@@H]1c1nc(C(=O)NCc2ccc(F)c(F)c2)c(O)c(=O)n1C 14979390 SUEFDYUGZWEWHM-CYBMUJFWSA-N 394.378 0.697 0 1 GCAF N[C@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2C(F)(F)F)C1 28884494 CJRKVMLQVFDFFX-ZETCQYMHSA-N 387.337 0.907 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(N[C@H]4CCc5cc(O)ccc54)ncnc32)[C@H](O)[C@@H]1O 48998463 VGUMDIPNXQFLGI-RNIZTFPLSA-N 399.407 0.243 0 1 GCAF Cc1cccc(C)c1NC(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 49110487 JDGMEVRYMLSADF-AHXJXLJNSA-N 384.396 0.283 0 1 GCAF C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)S(=O)(=O)[C@H](CCc1ccccc1)C(=O)O 73240445 JPBUOUZINFCNPT-AEGPPILISA-N 397.449 0.951 0 1 GCAF Cc1cnc(Cl)c2[nH]c(C[C@@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)nc12 587217486 CVXSKYSEFNWYPV-SFYZADRCSA-N 383.792 0.224 0 1 GCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)O[C@H]([C@@H](O)CO)C2=O 587843004 RKTHZVWKCKESLR-UPWMXHCBSA-N 388.189 0.165 0 1 GCAF O=C1[C@@H]2Cc3nc[nH]c3[C@@](c3ccncc3)(c3ncc[nH]3)N2C(=O)[C@@H]2CCCN12 963206447 OYQKHCISSWACJU-AVYPCKFXSA-N 389.419 0.578 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3cccnc3)[C@@H](O)[C@@H]2O1)NC1CC1 2356455435 UDJBTIVZTMGHJE-AZGDMVHKSA-N 376.413 0.158 0 1 GCAF CC(=O)NC[C@@H]1CC(c2ccc(N3CCN(C(=O)CO)CC3)c(F)c2)=NO1 1489324 RFKHLOXCTWUEKQ-AWEZNQCLSA-N 378.404 0.096 0 1 GCAF Nc1ncnc2c1ncn2[C@H]1O[C@H](C(=O)NC2CCCCCCC2)[C@@H](O)[C@H]1O 49017578 ZIHYGOOJSWDFKE-AHXJXLJNSA-N 390.444 0.257 0 1 GCAF CC[C@H](C)C(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 238784105 VVIJOILLLJEILW-RWNMRBQOSA-N 384.381 0.161 0 1 GCAF CC1(C)C=Cc2c(ccc3c2NC(=O)[C@]3(O)C[C@H]2NC(=O)[C@H]3CCCN3C2=O)O1 2356820494 FLUQNCQLNBDSSR-LKBUQDJMSA-N 397.431 0.890 0 1 GCAF CCCCn1c(=O)nc(NCCNC(=N)N)n(Cc2ccc(OC)cc2)c1=O 101272149 MJEGRQIHMJCKPG-UHFFFAOYSA-N 389.460 0.157 0 1 GCAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(N)ccnc3[nH]2)[C@H](C)O)cc1 586934306 FOQMMCMUTOSRCQ-TVQRCGJNSA-N 377.426 0.949 0 1 GCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@@H](O)[C@H](O)[C@H](O)CO)N1 587835971 YVPNUHKCOCXZAY-CUTMOEPISA-N 378.238 0.629 0 1 GCAF Nc1nc2c(ncn2Cc2cccc(COCCP(=O)(O)O)c2)c(=O)[nH]1 1534070 PYKIAEBUIBMDDT-UHFFFAOYSA-N 379.313 0.444 0 1 GCAF COCc1cn(CC[C@@H]2CC[C@H](NC(=O)c3ccncc3)[C@H](CO)O2)nn1 95675473 FBXATGIHHFZDOF-ULQDDVLXSA-N 375.429 0.548 0 1 GCAF CCOc1cc([C@@H](O)[P@](=O)(O)CC[C@H](N)C(=O)O)cc([N+](=O)[O-])c1O 139076459 ZURCCCJDFZTXBT-SDBXPKJASA-N 378.274 0.762 0 1 GCAF Cn1cc(Br)c(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)n1 169306455 LMHHPCYJUBLDJT-LBVUIDBSSA-N 391.225 0.881 0 1 GCAF Cn1cccc1C(=O)N[C@@H]1CCN2C(=O)[C@@H]3C[C@@H](OCC4CC4)CN3C(=O)[C@@H]12 2356671951 QELAKNOFZHXZJP-TXCZRRACSA-N 386.452 0.134 0 1 GCAF CN(C)S(=O)(=O)NCC(C)(C)NC[C@@H](O)COC(=O)c1ccccc1F 25967222 XWORALZBIJPXLM-GFCCVEGCSA-N 391.465 0.108 0 1 GCAF O=C(OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1 28865035 SRXAUBFEIAZBGH-XNIJJKJLSA-N 390.783 0.956 0 1 GCAF CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccncc2)O1 95663410 JDHZCDHPHAWVKT-VQHPVUNQSA-N 377.441 0.309 0 1 GCAF COCC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccccc2OC)O[C@@H]1CO 95675976 PZSXLCWRMIJETI-BFYDXBDKSA-N 380.441 0.373 0 1 GCAF COc1ccc(OC(=O)C[C@@]2(C)[C@H](C(=O)O)N3C(=O)C[C@@H]3S2(=O)=O)cc1 169320742 YCAZTWDLYYFZNF-NOLJZWGESA-N 383.378 0.189 0 1 GCAF COc1ccc(Cc2nc3cnncc3[nH]2)cc1S(=O)(=O)N1CCOCC1 586956484 BMJIYWQUGUPKNN-UHFFFAOYSA-N 389.437 0.973 0 1 GCAF OC[C@H]1O[C@@H](Oc2ccc(C=Cc3cc(O)cc(O)c3)cc2)[C@@H](O)[C@H](O)[C@H]1O 2356596765 RUOKEYJFAJITAG-UJMXGEILSA-N 390.388 0.447 0 1 GCAF O=C1NC(=O)[C@H]2[C@H]1C1(c3ccccc3)NC2(c2ccccc2)[C@@H]2C(=O)NC(=O)[C@@H]21 4173755 HUIJEPIOIVWLJF-RUDFCAMMSA-N 387.395 0.172 0 1 GCAF Cn1ccc2c(N3CCN(CCCCN4C(=O)COCC4=O)CC3)nccc21 34186875 LMCWHRGQHKPHCK-UHFFFAOYSA-N 385.468 0.861 0 1 GCAF C[C@@H]1O[C@H](OC(=O)C2=C[C@@]3(O)CC(C)(C)C[C@]34[C@@H](C)CC[C@@H]24)[C@H](O)[C@H](O)[C@@H]1O 36375409 QEZOAVXNNSLPOZ-XMKHLVHCSA-N 396.480 0.881 0 1 GCAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc4c(c3)CCO4)[C@@H]2SC1 40488899 YWNGHNYMFUOGEL-IGCXYCKISA-N 389.433 0.380 0 1 GCAF C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@]1(C)O[C@H](CO)[C@@H](O)[C@H]1O 48999664 LAUJHHDMVNOAOD-IBEFBCMPSA-N 399.451 0.655 0 1 GCAF COc1ccccc1NC(=O)NC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O 95577583 PWJAZWRLMROCSE-NWANDNLSSA-N 390.396 0.324 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CC[C@@H](C)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)NCC(C)C)C(=O)N1CCC[C@@H]1C(=O)O 28635654 HXRQFZARHUWLAH-MRLBHPIUSA-N 397.472 0.133 0 1 GCAF C/C(=C\C(=O)OC(C)C)[C@@H](O)[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O 40393113 BCIGZAGSJJJJSK-ZNEQUWIYSA-N 386.485 0.945 0 1 GCAF O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)C2)cc1/C=C/I 40510640 IVPBYJXSUIEMOB-YLTSPFDWSA-N 378.166 0.247 0 1 GCAF CCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1 103178616 UOMLREPMNQDHJS-UHFFFAOYSA-N 382.402 0.514 0 1 GCAF CCCCC[C@H](C[C@H](O)NO)[C@H](O)N[C@H](C(C)C)[C@H](O)N1CCC[C@H]1CO 253643330 AZKGCXCHQXZSHC-ATNRFADISA-N 391.553 0.578 0 1 GCAF CN1[C@H]2CCN(CC3CC3)[C@H]2C(=O)NC[C@H]1CCC(=O)N1CCC(O)CC1 2356848102 PCPIMAYPPNIJRV-HHXXYDBFSA-N 378.517 0.033 0 1 GCAF O=C(C[C@@H]1CC[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCc1ccncn1 95794150 YOCRZHXVPNTEOH-YESZJQIVSA-N 385.424 0.216 0 1 GCAF CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CCOCC2)O1 95885548 LGGFTYBQIURINE-XWTMOSNGSA-N 398.500 0.465 0 1 GCAF 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CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@@H]2N2C(=O)CN(C)C(=O)[C@@]12C 36389012 IDORYVCMKDXRFL-PJKMLTEKSA-N 388.420 0.997 0 3 GCAF COc1ccc(C2(C(=O)O)CCCCC2)cc1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 2005430 JAEZFGMEYUZIIP-OBVSXPTNSA-N 396.436 0.497 0 1 GCAF Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(C(C)C)cc1 3936049 XNVTWGKRBMBFDD-NUABRCLCSA-N 392.452 0.611 0 1 GCAF NCCCNCCCCNCCCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 13864558 ZAYZIUPPXBCXRB-IBGZPJMESA-N 388.560 0.852 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(Nc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O 49020640 ONONMLMFXBFTIS-VSBTWAGUSA-N 377.788 0.835 0 1 GCAF CN(C)C[C@@H]1CN(C(=O)Cc2nc(=O)cc(N3CCOCC3)[nH]2)c2ccccc21 68248356 SYULZYLLWJVGRP-OAHLLOKOSA-N 397.479 0.841 0 1 GCAF CN(C)C(=O)N1CCN(Cc2nc3ccccc3[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 77553715 ZCVNQFJEGSDOGA-LSDHHAIUSA-N 377.470 0.528 0 1 GCAF CC(C)[C@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82206880 KBLJEPQEPOGKNM-CYBMUJFWSA-N 375.404 0.545 0 1 GCAF 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CC(C)(C)c1ccc2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2n1 587218876 IXQVMYBNCPHDKJ-KOLCDFICSA-N 391.428 0.559 0 1 GCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@H](O)[C@@H](O)[C@H](C)O)N1 587826568 DZOUYTCTGSJYHD-JSTUANKJSA-N 378.238 0.413 0 1 GCAF CCCCN1C(=O)[C@@H]2C[C@H](O)CN2C2(CN(Cc3ccccc3F)C2)C1=O 2356290805 BYSAPGNQXVWRCP-RDJZCZTQSA-N 375.444 0.984 0 1 GCAF COC(C)(C)C=Cc1cc(C(C)=O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356337468 VVFUESRNOVONAM-MTHXSQLBSA-N 396.436 0.506 0 1 GCAF CN1[C@H]2CCN(CC(C)(C)C)[C@H]2C(=O)NC[C@H]1CCC(=O)N1CCC(O)CC1 2356866467 VNIALWDHFSGBMY-HHXXYDBFSA-N 394.560 0.669 0 1 GCAF C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2ccc3c(c2)OCO3)C1 61908552 UMRIWPVNBYYZFM-KRWDZBQOSA-N 380.422 0.876 0 3 GCAF O=C(O)CCC(=O)N[C@H]1c2ccccc2-c2[nH]c(=O)c3nc(C(=O)O)cn3c21 28226073 MNRVYGMJSMXOLO-ZDUSSCGKSA-N 382.332 0.772 0 1 GCAF O=C(O)c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1 72105227 ZLNPXKSDQKJSIZ-GJGATLCTSA-N 376.361 0.231 0 1 GCAF 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CCOC(=S)NCc1ccc(O[C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1 14444134 NZQNGCULBWTLGQ-BDNDHPQMSA-N 399.465 0.875 0 1 GCAF endogenous,in-man CC(=O)OC[C@@H]1C[C@H](n2cc(Br)c(=O)[nH]c2=O)[C@H](OC(C)=O)C1 29392054 FYHUGDOHZFPYND-ADEWGFFLSA-N 389.202 0.745 0 1 GCAF Cc1cn([C@H]2C[C@H](n3cc(CCc4ccccc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O 49781473 YPCUGQFBNXWIFJ-RCCFBDPRSA-N 397.435 0.743 0 1 GCAF CO[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@](C)(F)[C@@H]2O1 66252279 UMJJKKIIDYWEHH-HJINHNAUSA-N 375.253 0.497 0 1 GCAF CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CCOCC2)O1 95885442 UCOGFCCFBHACTI-NXOAAHMSSA-N 384.473 0.027 0 1 GCAF CCOC(=O)C(C)=CCC[C@H](C)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356752446 QMKDCNIWPRUZMS-JHMDWKRSSA-N 376.446 0.119 0 1 GCAF O=C(N[C@@H]1CCN2C(=O)[C@H](Cc3cccs3)NC(=O)[C@@H]2C1)C1CCNCC1 2356857726 SMAWBZFJQWLKIQ-KBMXLJTQSA-N 390.509 0.264 0 1 GCAF Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCN(c3ncccn3)CC2)o1 55060553 NUUMUEWHBBBWAM-KRWDZBQOSA-N 398.467 0.417 0 3 GCAF CC(=O)O[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@H]12)C(C)C 14556162 JBYCUUBCNYWXMY-JTZSMWBOSA-N 383.441 0.814 0 1 GCAF biogenic OC[C@H]1O[C@H](n2cnc3c(SCc4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1O 49032508 CBQDRESFZVYMJZ-GDLHICMESA-N 392.412 0.869 0 1 GCAF O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCc1ccc(O)cc1 103261960 BNGURAGFNRFJQK-UHFFFAOYSA-N 391.405 0.812 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(F)cnc(Cl)c2[nH]1)C(=O)O 587219372 KTPZLIYDKNOWEV-NKWVEPMBSA-N 387.755 0.054 0 1 GCAF COCc1cn(C[C@H]2C[C@H]3CCN2C[C@H]3C(=O)N2CCC(C(=O)O)CC2)nn1 2356575420 MIFINJGIWPQIJY-DJIMGWMZSA-N 391.472 0.458 0 1 GCAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccc(F)cc2)[C@@H](O)[C@H]1O 13540082 LBRGCRCQCAVIHB-XNIJJKJLSA-N 389.343 0.024 0 1 GCAF C[C@@H](CNC(=O)Cc1ccccc1)NC[C@@H](O)COc1ccccc1C(N)=O 27181768 ZBGCGKSDSORCGM-DOTOQJQBSA-N 385.464 0.862 0 1 GCAF CCC(=O)N1[C@H](CNC(=O)CN2CCOCC2)[C@H](c2ccccc2)[C@@H]1CO 95895074 ZFUOFKKSDQWECY-UWVAXJGDSA-N 375.469 0.200 0 1 GCAF CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N(C)C)O[C@H](CO)[C@H]1O2 95900376 QAHMIWPLJULOCY-XEQBAVFLSA-N 391.468 0.659 0 1 GCAF CC[C@@H](C)c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 141368228 BGZSARRGUKWEQW-MJWLSHKHSA-N 396.392 0.191 0 1 GCAF OCCCNc1ncnc2c1ncn2[C@H]1CN(C2CCCC2)C[C@@H](CO)O1 61904664 XIVAUZRMVODWQR-LSDHHAIUSA-N 376.461 0.755 0 3 GCAF O=C(O)[C@@H](CO)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 6909295 PWSZFHTYRLIZEO-HZPDHXFCSA-N 397.387 0.035 0 1 GCAF biogenic O=C(N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CC1 95903631 AKBNLSCHUNSEND-PMPSAXMXSA-N 378.473 0.865 0 1 GCAF COc1ccccc1CNC(=O)C[C@H]1CC[C@@H](NC(=O)CN(C)C)[C@@H](CO)O1 95907100 RWNJDCVIKVVTPT-JFIYKMOQSA-N 393.484 0.288 0 1 GCAF COC(=S)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1 2356539957 HMXLIRAHSHWREJ-RQISZKQWSA-N 385.438 0.485 0 1 GCAF CC=Cc1cc(=O)c2c(C)cc(OC)c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c2o1 2356545640 MLEBNHHZBNKVMI-DLCPYMQGSA-N 392.404 0.658 0 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O=C(C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3cccs3)[C@@H](O)[C@@H]2O1)NC1CC1 2356288797 LFECHLSWAADANC-YYFFNPIBSA-N 381.454 0.824 0 1 GCAF C[C@]12[C@@H](O)C[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@@]2(O)[C@@H](O)CO 2356673510 KSKRJBLNVSEHHN-JHXQRZMISA-N 382.497 0.624 0 1 GCAF C[C@H](C[C@H](O)CCCC[C@H](O)CC(=O)O)O[C@@H]1OC(C)(C)[C@H](O)C[C@H]1O 2356832289 JUMHDYYUBXYUMT-LQCKPJBFSA-N 378.462 0.785 0 1 GCAF COc1cc(O)c2c(c1)C1=C[C@@H]3O[C@](O)(C(=O)O)C[C@@]3(O)C[C@@]1(C)OC2=O 2356865681 VLBWUASOVMKUPK-LSZYVWPRSA-N 378.333 0.410 0 1 GCAF C[C@](O)(C[C@@H]1C[C@](O)(CO)C(=O)O1)[C@@H]1COc2ccc3ccc(=O)oc3c2O1 13399241 GOTGCQAKGMYEPD-CTCWLNEKSA-N 392.360 0.113 0 1 GCAF biogenic COc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H]2O)cc1 29405766 OCCHDTZLVAQBNC-BCUIYNNISA-N 387.352 0.282 0 1 GCAF C=CC(=O)Nc1ncc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1 84742573 YQDLWSGPLFKABR-UHFFFAOYSA-N 397.457 0.843 0 1 GCAF O=C(C[C@H]1C=C[C@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccncn1 95676104 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HDMJUGRTWFBQSU-OKZBNKHCSA-N 381.517 0.803 0 1 GCAF CSc1ccc2nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2c1 587223947 XLIYTMURDYRXGO-MWLCHTKSSA-N 380.426 0.589 0 1 GCAF O=C([C@@H]1CSCN1)N1CCN2C(=O)N(CCc3cccs3)C(=O)[C@@H]2C1 25430830 HMJOLDLXITYNDC-STQMWFEESA-N 380.495 0.428 0 1 GCAF biogenic O=S(=O)(NCCc1ccccc1)NS(=O)(=O)NCCc1ccccc1 28089886 KPGPPMQNJXDYBF-UHFFFAOYSA-N 383.495 0.730 0 1 GCAF O=c1cc(-c2ccccc2)oc2cc(O)cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c12 59730056 MMVMGMHYSQJGLO-RHMWYWNKSA-N 386.356 0.983 0 1 GCAF Cc1cn(Cc2cn(CCCC(F)(F)P(=O)(O)O)nn2)c(=O)[nH]c1=O 84669424 QWMPFOVWFNYYKH-UHFFFAOYSA-N 379.260 0.036 0 1 GCAF CC(=O)N[C@H]1[C@H](C)O[C@H](OCc2ccccc2)[C@@H](NC(C)=O)[C@@H]1OC(C)=O 238783012 PMFBAYZWSDMPQZ-ZFQFNIFDSA-N 378.425 0.889 0 1 GCAF COc1ccc(-c2c(-c3nc(CO)c4c(=O)nc(C)[nH]n34)c(C)nn2C)cn1 1772581972 GQCSUCWXXRCUOT-UHFFFAOYSA-N 381.396 0.998 0 1 GCAF CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@H](CCCCN)C(=O)O 2356751557 RRIHXWPHQSXHAQ-FQUUOJAGSA-N 390.550 0.296 0 1 GCAF Nc1nc(NC2CCCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 13834728 NZVZWLJYCVFDDF-XNIJJKJLSA-N 378.433 0.155 0 1 GCAF COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c(OC)c1 34987530 FSFLVCUEXHRIJM-RKMJQWCZSA-N 396.447 0.759 0 1 GCAF COC(=O)c1cccc(-c2ccc(N[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1 116797097 PRIVIDVAFRBUPE-GFEQUFNTSA-N 389.404 0.352 0 1 GCAF C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605578 BEKFJEHPEIOIAV-WIOYLHCRSA-N 376.361 0.186 0 1 GCAF CC(C)CC(=O)N1CCN(C(=O)COC[C@@H]2NC(=O)[C@@H]3CCCC[C@H]3N2)CC1 618013467 RPGXRNRMNBXHPT-ZACQAIPSSA-N 394.516 0.324 0 1 GCAF CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)C1CCCCC1 13557392 QZZWMICBAOOABH-JYJNAYRXSA-N 399.488 0.164 0 1 GCAF CC(C)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1 27548919 BQXWWDVKJFOOSA-SCFUHWHPSA-N 385.424 0.980 0 1 GCAF COC(=O)Cn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205976 FJEFIPXTXMOFPL-GHMZBOCLSA-N 388.380 0.938 0 1 GCAF C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCNC1 1772601230 CMOOSFSVADFCKC-IBGZPJMESA-N 382.472 0.467 0 1 GCAF COC(C)(C)C=Cc1cc(C(C)=O)ccc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356337466 VVFUESRNOVONAM-LFDJNIOPSA-N 396.436 0.506 0 1 GCAF CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@H]1C(=O)N(CCc1ccccc1)C(C)C 13778773 JPWICWCKANHMHT-CGTJXYLNSA-N 389.452 0.665 0 1 GCAF N=C(N)NCc1ccc(C(=O)NCCC(=O)N2CCC(C(=O)O)CC2)cc1 26188087 XCMYEGVKNMFNNI-UHFFFAOYSA-N 375.429 0.113 0 1 GCAF CCOC(=O)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1 257567675 VMTHKXYSTHHGCH-CHULVVDUSA-N 383.397 0.710 0 1 GCAF endogenous,in-man C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](N)[C@@H](O)[C@H](O)CCO)N1 587749013 ZNNXOBZRUPPDAI-ZHROSBSOSA-N 377.254 0.595 0 1 GCAF CCCCN1C(=O)[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(F)cc3)C2)C1=O 2356289959 FDCIPLHJWBPYED-IAGOWNOFSA-N 375.444 0.984 0 1 GCAF COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)CN1C(C)=O 40405185 OUMSFTNGCOEURQ-STQMWFEESA-N 380.397 0.605 0 1 GCAF Cc1ncnc2c1c(I)cn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O 95561741 KJOCOGWWBTZHBR-JLLWLGSASA-N 387.177 0.540 0 1 GCAF O=C(/C=C\c1cc2occc2cc1O)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O 238781596 DBRHSUROBPSKMR-UZUXWVATSA-N 378.333 0.395 0 1 GCAF CC(=O)c1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2c1 587218192 FOVVFPQICQTJLK-ZYHUDNBSSA-N 376.369 0.590 0 1 GCAF COc1cc(-n2c(=O)c3ccccc3n(CC(N)=O)c2=O)cc(OC)c1OC 4176345 RGDXULXCAMRKEB-UHFFFAOYSA-N 385.376 0.664 0 1 GCAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 14952301 RIRGCFBBHQEQQH-OCXLHJLWSA-N 385.424 0.481 0 1 GCAF CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCCC2)cn1C 35376151 RRNCIEYDFVJLED-CQSZACIVSA-N 383.470 0.977 0 1 GCAF CS(=O)(=O)Nn1c(O)nc2cc(C(F)(F)F)c(-n3cnnc3)cc2c1=O 73220410 ALYHXWZYIFZZMX-UHFFFAOYSA-N 390.303 0.205 0 1 GCAF CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CN(C)C(=O)CN1CCOCC1 95895109 YXKYOXQJAAHLST-GGPKGHCWSA-N 375.469 0.152 0 1 GCAF CN(C(=O)CNC(=O)c1coc2ccccc2c1=O)C1CCS(=O)(=O)CC1 205236686 RDPNPBMFPVEKJX-UHFFFAOYSA-N 392.433 0.558 0 1 GCAF O=C1NCN[C@H]2CN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC[C@H]12 618014142 MUZQAMWIVOTKNO-RYUDHWBXSA-N 379.360 0.641 0 1 GCAF Cc1c(C(=O)N2CC[C@@H](N3CC[C@@H](F)C3)C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857597464 MXQVGHMDTGXXKL-ZIAGYGMSSA-N 399.430 0.775 0 1 GCAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3cccnc3)[C@H](O)[C@@H]2O1 2356290089 JLLYMIXLEZBFTM-GFISCPRKSA-N 378.429 0.404 0 1 GCAF CN1CCN(C(=O)[C@H]2CCC[C@H](NCc3cnn(C)c3)CN(C)C(=O)C2)CC1 2356615753 JIYPGVQIZSHZSQ-ROUUACIJSA-N 390.532 0.301 0 1 GCAF CN1[C@@H](N)N(C)[C@H](c2c(C(=O)O)[nH]c3cc(O)c(Br)cc23)[C@H]1O 2356812147 BIBIOWJOTODNFO-BZPMIXESSA-N 385.218 0.813 0 1 GCAF C[C@H](O)CNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 4548121 SFPOVYDBJGXTPE-QILLFSRXSA-N 384.436 0.774 0 1 GCAF CN[C@H](C)C(=O)N1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@H]2C1 25207572 TYLDFVVBSAYYTR-NOZJJQNGSA-N 395.257 0.662 0 1 GCAF biogenic OC[C@@H]1O[C@@H](n2cnc3c(NC[C@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 36271843 DUNKXLVWSLBCNL-CSENRNQMSA-N 397.435 0.580 0 1 GCAF O=C(C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCc1ccncc1 95676228 ZNNAKNJWDLOPKK-SQNIBIBYSA-N 389.452 0.315 0 1 GCAF OC[C@H]1O[C@H](Oc2ccc(/C=C\c3cc(O)cc(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O 95914818 RUOKEYJFAJITAG-WXKRVBSASA-N 390.388 0.447 0 1 GCAF biogenic,in-vitro COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](O)[C@H](O)CO)[nH]c3c2)cc1 586888641 IZQCJSJDDPKHQZ-HZPDHXFCSA-N 393.421 0.759 0 1 GCAF C[C@H](O)[C@H](O)[C@@H](O)[C@@]1(CO)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614574 CQJJDCQMVDMYJG-MKBUGTKASA-N 376.361 0.188 0 1 GCAF COc1ccc(-c2ccc(S[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(C)c2)cn1 1857652038 KLVGDKOONMJQQH-RBPQIDMKSA-N 393.461 0.958 0 1 GCAF CC1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)c3cccc(F)c3)[C@@H](O)[C@@H]2O)CC1 2356866509 VNSXWICWBGIRRT-QFHJOOASSA-N 394.443 0.693 0 1 GCAF CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 2964763 XSDZQDLYEMBTLD-AWEZNQCLSA-N 389.518 0.697 0 3 GCAF CC(=O)N[C@H](C(=O)NCCn1cnc2c(N)ncnc21)C(C)(C)SN=O 28763217 FUIYPUFAHZLUIA-SNVBAGLBSA-N 380.434 0.223 0 1 GCAF CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@H]4CC=CCC4)ncnc32)[C@H](O)[C@@H]1O 49017872 LNTFRGNEXISGDT-FHZSBBOESA-N 388.428 0.102 0 1 GCAF Cc1cc(CNC(=O)c2nc([C@H]3COCCN3C)n(C)c(=O)c2O)ccc1F 84394802 ZLEJGMIGIZTIGO-CQSZACIVSA-N 390.415 0.867 0 1 GCAF O=C(N[C@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1cccc(F)c1 95675535 BVKYPNZNGBYIEE-YESZJQIVSA-N 380.416 0.713 0 1 GCAF O=C(O)CNCCNCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587229475 XYYDYYCTKVBSQX-UHFFFAOYSA-N 380.348 0.620 0 1 GCAF OC[C@H]1O[C@@H](c2ccc3c(c2)[C@H](c2cccs2)NCC3)[C@H](O)[C@@H](O)[C@@H]1O 653721762 PTKFEFMFRJFZCE-YWWSTOQWSA-N 377.462 0.498 0 1 GCAF Cc1c(C(=O)N2CC(N3CCC(F)CC3)C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857597859 GSXBZSYRHIHWQI-UHFFFAOYSA-N 399.430 0.775 0 1 GCAF COc1ccc(C(=O)N2C[C@H]3COCCN3C3(C2)CN(C(=O)C2CC2)C3)cc1 2356357888 WFJKGECBDWALKV-KRWDZBQOSA-N 385.464 0.843 0 1 GCAF Oc1ccc(C=Cc2cc(O)cc(O[C@@H]3O[C@H](O)[C@H](O)[C@H](O)[C@@H]3O)c2)cc1 2356742890 ICKZLALRLAHODG-XCDZQEORSA-N 376.361 0.404 0 1 GCAF CNc1ncnc2c1ncn2[C@@H]1S[C@H](C(=O)NC2CCCC2)[C@@H](O)[C@H]1O 45347616 OILIJHVBFGMMHK-MEQWQQMJSA-N 378.458 0.263 0 1 GCAF CCOC(=O)NCc1ccc(O[C@@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@H]2O)cc1 85877437 VMTHKXYSTHHGCH-NZLHIXKWSA-N 383.397 0.710 0 1 GCAF in-man OC[C@@H]1O[C@H](Oc2ccc(/C=C\c3cc(O)cc(O)c3)cc2)[C@@H](O)[C@H](O)[C@H]1O 147248060 RUOKEYJFAJITAG-NFPWXCKCSA-N 390.388 0.447 0 1 GCAF endogenous,in-man C1CN(CC[C@]23O[C@]4(CCN5CCNCC5)[C@H]5[C@@H]2[C@H]2C[C@@H]5[C@@H]5[C@@H]2[C@@H]3[C@@H]54)CCN1 195355976 MKEJOUUDTKGSMG-FLCRLGJYSA-N 384.568 0.473 0 1 GCAF COc1cc2nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2cc1C 587222841 UQTFBOPCQICRPF-NXEZZACHSA-N 378.385 0.184 0 1 GCAF Cc1nn(CC(=O)NCCN2CCOCC2)c(=O)c2cc3sccc3n12 20383996 VFAGMFGYLKCDHJ-UHFFFAOYSA-N 375.454 0.468 0 3 GCAF Nc1nc2c(ncn2CCCCCC[P@](=O)(O)CP(=O)(O)O)c(=O)[nH]1 1533470 RRFKVYQFHHGRKK-UHFFFAOYSA-N 393.277 0.668 0 1 GCAF N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)c1nc2ccccc2s1 13612361 AAZRQCBNNOOVFU-STQMWFEESA-N 388.497 0.979 0 1 GCAF O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N1CCCO[C@@H]1C2 95593715 OHEKQGOBJIKKIF-CQSZACIVSA-N 387.367 0.825 0 1 GCAF O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1)C1CC1 95904035 KCJLPEXOQNKRCT-KSZLIROESA-N 396.509 0.931 0 1 GCAF CCS(=O)(=O)N[C@H]1C=C[C@@H](CC(=O)NC2Cc3ccccc3C2)O[C@@H]1CO 95908071 QHHHHVNBYYVCIB-OKZBNKHCSA-N 394.493 0.284 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc32)[C@H](O)[C@@H]1O 13836549 AEOCPQUDPJKEQV-OLPNOOBHSA-N 395.847 0.692 0 1 GCAF COc1cc2c(cc1OC)[C@]1(O)C(=O)c3c(O)cc(O)cc3O[C@@H]1[C@@H](O)O2 14928800 PYIMOMJIHXEJKY-SQNIBIBYSA-N 376.317 0.657 0 1 GCAF biogenic COCCNC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 95907848 LSZBVVJSMSSYDQ-USXIJHARSA-N 398.481 0.111 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)OCO3 587218507 HEKSLIFCJFNCAI-JGVFFNPUSA-N 378.341 0.116 0 1 GCAF Cc1cc(C[C@@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c2c(=O)cc(C)oc2c1 2356391582 SXMCJMTVWGEXOY-AQCRNQBFSA-N 394.420 0.157 0 1 GCAF CC(C)C(=O)N1C[C@H]2COCCN2C2(CN(C(=O)COc3ccccc3)C2)C1 2356719946 MBSHZYNGTPOMFY-KRWDZBQOSA-N 387.480 0.845 0 1 GCAF COc1cc2c(cc1OC)[C](N)NC(N(C)CCCNC(=O)[C@@H]1CCCO1)=N2 2356818548 ZOKXIUFUDZFWGN-AWEZNQCLSA-N 390.464 0.708 0 1 GCAF CCOC(=O)CC[C@H](NC(=O)c1ccc2nc(N)nc(N)c2c1)C(=O)OCC 25970192 IIIYXUZVQGHCQM-ZDUSSCGKSA-N 389.412 0.799 0 1 GCAF CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H](O)[C@H]1O 40422005 AOOYJVBMRQULKJ-DZHLUBAWSA-N 396.835 0.199 0 1 GCAF CCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(CCS(=O)(=O)CC)c1=O 45358057 NIGDIRFWNXZUTK-UHFFFAOYSA-N 390.465 0.932 0 1 GCAF C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCO[C@@H](CO)C2)cc(=O)[nH]1 147029920 CVYNDVPEEURJCK-DZGCQCFKSA-N 384.436 0.488 0 1 GCAF Cc1cnc(Cl)c2[nH]c(C[C@@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)nc12 587217480 CVXSKYSEFNWYPV-HTQZYQBOSA-N 383.792 0.224 0 1 GCAF O=C1[C@H]2C[C@H](O)CN2C2(CN(Cc3cccnc3)C2)C(=O)N1Cc1ccccc1 2356345754 AHUSDWJRGKFUMC-RBUKOAKNSA-N 392.459 0.640 0 1 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CC(C)(C)OC(=O)N[C@@H](Cc1ccc([C@@H]2CC(=O)NS2(=O)=O)cc1)C(N)=O 103199274 LRXWMSQZNPFGMU-STQMWFEESA-N 397.453 0.499 0 1 GCAF C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@]3(O)[C@H](C)C(=O)O[C@@H]3C)[C@H]12 238789401 LZKFLVDOCDILCY-PWLZZEDUSA-N 393.436 0.734 0 1 GCAF C[C@@H](CC(=O)Nc1c[nH]cc(C(=O)O)c1=N)NC(=O)[C@@H](N)C1CCCCC1 1857581886 LHKWBHNJAPAQMF-BONVTDFDSA-N 377.445 0.933 0 1 GCAF Oc1cc(O)cc(C=Cc2ccc(O)c(O[C@@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)c2)c1 2356584670 OKLZAYMBKSZPIL-NQYYFHDYSA-N 376.361 0.792 0 1 GCAF O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1-c1ccc(Br)s1 12503926 IGUZFFOBAZCVRK-LAEOZQHASA-N 389.227 0.668 0 1 GCAF CC(C)N(C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1S(C)(=O)=O)C(=O)CN(C)C 95895829 KFSCSKZDNNPRDI-ZHALLVOQSA-N 397.541 0.574 0 1 GCAF COc1cc2nc(C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2cc1F 587222744 UCCHXFOQVDMXOX-IUCAKERBSA-N 382.348 0.015 0 1 GCAF CCOCCOCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587777789 CLBUSAXDJBWTEB-UHFFFAOYSA-N 376.457 0.866 0 1 GCAF 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2356573511 QCADQIHNSJRKAF-BAPGRXHISA-N 388.372 0.254 0 1 GCAF CC(=O)NC[C@@H]1CC(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)=NO1 26834381 RODBLGHTIMBNSU-KBPBESRZSA-N 392.387 0.916 0 1 GCAF COC(=O)[C@H]1/C(=C2/C[C@@H](CI)OC2=O)O[C@@H]2CC(=O)N21 205377162 VZTMHDMZOMWRDY-KMZKJGOWSA-N 393.133 0.121 0 1 GCAF O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O 587942400 XWHMOQQSUGWRPB-ZCFIWIBFSA-N 387.142 0.982 0 1 GCAF CCC(=O)N1CCN(C(=O)c2cnn(-c3nc(=O)c4cccn4[nH]3)c2C)CC1 1857610869 JILUTRORMCLXQQ-UHFFFAOYSA-N 383.412 0.211 0 1 GCAF C=C/C=C/C(=O)N[C@H]1c2nc(CCc3ccccc3)cn2[C@H](CO)[C@@H](O)[C@@H]1O 1857641886 LVKBBSPEBHHPCN-RRRUERACSA-N 383.448 0.837 0 1 GCAF Nc1nc(N)c2nc(CNc3ccc(C(=O)NCCCC(=O)O)cc3)cnc2n1 1763926 GRRZPELXPRHTIX-UHFFFAOYSA-N 396.411 0.791 0 1 GCAF Nc1nc(=O)n(CCN2C(=O)CS[C@H]2COC(=O)c2ccccc2)cc1F 3959127 FTWSMKSMHFVEII-AWEZNQCLSA-N 392.412 0.723 0 1 GCAF CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(C)c4)ncnc32)[C@H](O)[C@@H]1O 12405564 JDYQSGOBWFISCE-QCUYGVNKSA-N 398.423 0.112 0 1 GCAF Cn1nc(NC(=O)Cc2ccccc2)cc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2C 13559736 XLYYVOKOMNMJDU-UHFFFAOYSA-N 393.407 0.542 0 1 GCAF COC(=O)[C@H](C)[C@H]1OC(=O)C=C2[C@@H]1[C@@H](O)[C@H]1OC(=O)[C@]3(C)[C@@H]1[C@]2(C)C[C@@H]1O[C@@H]13 238769716 QXRKSZDADXUMJR-ZJBXPSDVSA-N 392.404 0.363 0 1 GCAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1 586947464 ZNCKFJUKMGWGHV-SNVBAGLBSA-N 391.409 0.888 0 1 GCAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](C)O)N1 587832203 ZOBODWGQPKWUOT-PCJHKHGQSA-N 378.238 0.627 0 1 GCAF COc1ccc(CN2C(=O)[C@H]3C[C@H](O)CN3C3(CN(C4CCCC4)C3)C2=O)cc1 2356290647 YJVVMIXBMUEYSJ-PKOBYXMFSA-N 399.491 0.996 0 1 GCAF CCCC(CCC)C(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1 13471987 NYIIKXGFKHSRCY-UHFFFAOYSA-N 377.492 0.847 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O 13804189 HBIOOKQCPKDFHZ-SDBHATRESA-N 383.836 0.836 0 1 GCAF CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCCC2)cn1C 35376154 RRNCIEYDFVJLED-AWEZNQCLSA-N 383.470 0.977 0 1 GCAF CC(C)C[C@@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 36286718 PUZQCAIXBLYSBU-KEYYUXOJSA-N 392.500 0.434 0 1 GCAF Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccccc3Cl)O2)c(=O)[nH]c1=O 95576365 NGRLUSZMVSUMTL-MJBXVCDLSA-N 394.815 0.969 0 1 GCAF CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2cccnc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c1nnc2n1CCN(C(=O)c1ccccc1Cl)C2 206058767 MYJSOQWORFQREU-UHFFFAOYSA-N 390.831 0.453 0 3 GCAF COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCN1CCOCC1 28013507 NKLUHWRAYBJOQK-UHFFFAOYSA-N 389.456 0.960 0 1 GCAF COCCNC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 95907847 LSZBVVJSMSSYDQ-PVAVHDDUSA-N 398.481 0.111 0 1 GCAF COC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(C)C 653838726 FQGKJLJYDGWNPW-BBRMVZONSA-N 393.440 0.731 0 1 GCAF CCC=CC[C@H]1[C@H](CC(=O)OC)CC[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356543324 OCFKHNFJQZMGMS-UXNZJZJZSA-N 388.457 0.117 0 1 GCAF Cc1cccnc1CNC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCOCC3)O[C@H]2[C@H]1O 2356669168 PGCTUGMDSLWRTI-WGLCMCTQSA-N 391.468 0.014 0 1 GCAF Nc1nc(NCCC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 13823907 NMEDAXKDWIERPD-XNIJJKJLSA-N 378.433 0.012 0 1 GCAF NCCCCNCCCNCCCNCCCNC(=O)c1ccc(O)cc1 14443698 WYQDAZNICCHPAS-UHFFFAOYSA-N 379.549 0.800 0 1 GCAF biogenic CN(C)S(=O)(=O)N1CCC2(CC1)c1ccccc1[C@@H](n1ccnc1)[C@@H]2O 23153575 VRSMRLSICXHQAB-SJORKVTESA-N 376.482 0.987 0 1 GCAF CC/C=C\C[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@H]1CC(=O)OC 31168990 OCFKHNFJQZMGMS-HIQISOEYSA-N 388.457 0.117 0 1 GCAF CC[C@@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(CCOC)c2=O)N1 82208148 QKLWHCZUSFIJSL-CQSZACIVSA-N 387.440 0.827 0 1 GCAF CCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](c1cnn(-c3ccccc3)n1)N2CCOC 618014207 OFZIOMHUHNGJEZ-YESZJQIVSA-N 399.455 0.474 0 1 GCAF CCNC(=O)N[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2n1nnnc1-c1ccc2c(c1)OCO2 2356871264 XZEFVTFVSKJFHT-FIXIBIHLSA-N 388.384 0.095 0 1 GCAF CO[C@@H]1[C@@H](CC(=O)CN2CN(C)CN(C)C2=O)n2cccc2C(=O)N1OC 206394561 QXHLPTOSXRTENE-GDBMZVCRSA-N 379.417 0.192 0 3 GCAF COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1C(=O)C1CCNCC1 25238498 QAEAKEOYNWYQLM-MRXNPFEDSA-N 395.481 0.061 0 1 GCAF biogenic O=C([C@H]1CSCN1)N1CCN2C(=O)N(CCc3cccs3)C(=O)[C@H]2C1 25430832 HMJOLDLXITYNDC-CHWSQXEVSA-N 380.495 0.428 0 1 GCAF biogenic CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O 34097440 KKOVVDNJUPCRKX-MOROJQBDSA-N 390.444 0.326 0 1 GCAF CN1C(=O)[C@H]2[C@@H](N=C(N3CCC[C@@H](CN)C3)N2Cc2ccccc2)N(C)C1=O 58678616 GFJYYKSONZQLNI-BBWFWOEESA-N 384.484 0.747 0 1 GCAF CCCCNc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(O)O[C@H]2[C@H]1O 169320019 VLHUNJPYKKILAQ-IDTAVKCVSA-N 385.317 0.812 0 1 GCAF C[C@@]1(c2ccccc2)CC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O 473084160 FSZFOEQKVZQDPR-NRFANRHFSA-N 393.447 0.842 0 1 GCAF CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)OCC)c2cc3c(O)nc(O)nc3nc21 587559492 JGOAQXXCIDMPKS-LDYMZIIASA-N 375.337 0.702 0 1 GCAF CN(C)CCN(C)[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H]1O 2356868232 WZQZUNJKBDVYDM-NRKLIOEPSA-N 382.436 0.294 0 1 GCAF O=C(O)C[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 1642795 XCSNMNASSJFQBX-UWVGGRQHSA-N 392.286 0.026 0 1 GCAF CCNC(=O)CN(CC)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 7097062 FEOSWOBWDUGTBW-UHFFFAOYSA-N 380.401 0.802 0 1 GCAF biogenic NC(=O)c1ccc(-c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 45358528 NBVVVUOMNUXICW-OAHLLOKOSA-N 377.356 0.854 0 1 GCAF COC(=O)Cn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@H](C(C)C)N2 82224249 HAEAINKSLGHOOB-SNVBAGLBSA-N 376.369 0.478 0 1 GCAF COc1ccccc1CNC(=O)C[C@@H]1CC[C@H](NC(=O)CN(C)C)[C@@H](CO)O1 95907099 RWNJDCVIKVVTPT-XYJFISCASA-N 393.484 0.288 0 1 GCAF COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@](O)(CO)[C@]2(O)CO)ccc1O 238786390 GRSNTPZMTOYPRG-ZCNNSNEGSA-N 392.404 0.250 0 1 GCAF COC[C@H](O)[C@H](OC)[C@H](OC)[C@H](OC)[C@@H]1NCCc2c1c(C(C)C)nn2C 962913692 RCOIWYOUNVHOIH-OPWSAZDFSA-N 385.505 0.783 0 1 GCAF COc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)Nc1cccc(Cl)c1 1857655979 ZTBDCDOLAQBBDF-UHFFFAOYSA-N 377.788 0.734 0 1 GCAF Cn1c(=O)n(Cc2cn[nH]c2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21 1857773888 WOFKMLZGJOUIRL-UHFFFAOYSA-N 389.437 0.302 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(CSc4ccccc4F)ncnc32)[C@H](O)[C@@H]1O 29057430 NBHMADQOWWNBGO-BNGXUDDSSA-N 392.412 0.869 0 1 GCAF C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCCCC4)ncnc32)[C@@H]1O 40896375 PKQHNCJXHUJBFO-KBEZCGTCSA-N 377.445 0.963 0 1 GCAF COC(=O)[C@H](C)N1CCCO[P@]1(=O)COCCn1cnc2c(N)ncnc21 45244900 QTXSHFDCQVMVAE-YBOJIHHZSA-N 398.360 0.860 0 1 GCAF COCc1cn(CC[C@@H]2CC[C@@H](NC(=O)c3ccncc3)[C@@H](CO)O2)nn1 95675477 FBXATGIHHFZDOF-GVDBMIGSSA-N 375.429 0.548 0 1 GCAF CS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO 95795045 CWJBQADCDQSGJH-DYEKYZERSA-N 389.271 0.380 0 1 GCAF CCOP(=O)(OCC)[C@]1(O)C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@H]1CO 105519777 CBBQEZRNJNAFQF-MISXGVKJSA-N 378.318 0.080 0 1 GCAF CCO[C@@H]1O[C@H](COC(=O)C(C)(C)C)[C@@H](O)C[C@H]1n1cc(C)c(O)nc1=O 254130854 HDGZTAFELKEMDZ-QVHKTLOISA-N 384.429 0.900 0 1 GCAF COc1cc2nc(C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c2cc1Cl 587220729 SQZMIRSYGUGOBK-DTWKUNHWSA-N 398.803 0.529 0 1 GCAF Cc1c(C(=O)N2CC(N3CCC[C@H](F)C3)C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857579386 NTYMWBRMOZWSRS-ZDUSSCGKSA-N 399.430 0.775 0 1 GCAF COc1cc(C=CC(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)cc2occc12 2356408500 HHURSLXIRSAKMX-XKHMPKOFSA-N 392.360 0.698 0 1 GCAF OC[C@@H]1O[C@H](c2c(O)cc(C=Cc3ccc(O)cc3)cc2O)[C@H](O)[C@@H](O)[C@H]1O 2356419495 URWNDISGXOTRRK-AEEMCCEDSA-N 390.388 0.489 0 1 GCAF NCCCNCCCCNCCCNC(=O)[C@H](N)Cc1c[nH]c2ccccc12 13864559 ZAYZIUPPXBCXRB-LJQANCHMSA-N 388.560 0.852 0 1 GCAF CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(N)=O)CC3)c(F)c2)C(=O)O1 29129437 QKTHLECRZYTNCH-ZDUSSCGKSA-N 379.392 0.488 0 1 GCAF O=C1CSC[C@@H](c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)N1 587040825 CLBXSWZTBRRWCB-ZDUSSCGKSA-N 382.467 0.488 0 1 GCAF O=C1c2ccc(O)cc2O[C@](CO)([C@@H](O)[C@@H](O)CO)[C@@H]1c1ccc(F)cc1 587347476 BUELWSHCJWAYOP-FXECBMLZSA-N 378.352 0.335 0 1 GCAF COCC(=O)NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCN(c2ccccn2)CC1 2356300948 XWGNORHEZGBSJN-GUDVDZBRSA-N 387.528 0.677 0 1 GCAF CCOP(=O)(OCC)[C@@]1(O)C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO 5839208 CBBQEZRNJNAFQF-GYSYKLTISA-N 378.318 0.080 0 1 GCAF Nc1nc2c(ncn2Cc2ccccc2OCCCP(=O)(O)O)c(=O)[nH]1 13834095 OJNSVMIPSNMEFV-UHFFFAOYSA-N 379.313 0.697 0 1 GCAF CO[C@]1(O)[C@@H]2O[C@@H]2C2(Oc3cccc4cccc(c34)O2)[C@@]23O[C@@]12C(=O)C=CC3=O 14852738 MYXNJIZFJSNFMA-UJMXGEILSA-N 394.335 0.639 0 1 GCAF biogenic CC(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C1C(=O)N(C)C(=O)N(C)C1=O 27086487 OCIVARXWZWPHRF-UHFFFAOYSA-N 378.301 0.744 0 1 GCAF CNC(=O)c1cnn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1 28086410 HGTJEBMFJHAWCI-ZDUSSCGKSA-N 375.360 0.832 0 1 GCAF Cn1cnc(S(=O)(=O)NC[C@@H]2CC[C@@H]3[C@@H](CN3Cc3nccs3)O2)c1 95869342 RVVXYRZYXKJQCF-YNEHKIRRSA-N 383.499 0.587 0 1 GCAF Cn1ccnc1CNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3CCCCC3)[C@@H](O)[C@@H]2O1 2356760027 ATINJUCEMRXCLY-RHVZCBDQSA-N 392.500 0.635 0 1 GCAF COC(=O)[C@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)C1CCNCC1 25429071 RPEAVPPHEVLPFM-MRXNPFEDSA-N 377.416 0.651 0 1 GCAF biogenic OC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4CCc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1O 36271904 XAQBEKCHNPBVBO-AENLNBOZSA-N 397.435 0.407 0 1 GCAF O=C(NCc1cocn1)c1cc(-n2cnn(Cc3ccc(F)cc3)c2=O)n[nH]1 150015335 ODTSRJLUDZZQGN-UHFFFAOYSA-N 383.343 0.863 0 1 GCAF C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 198017366 UBJGMINEBGZOBD-ITPJJHHZSA-N 395.437 0.758 0 1 GCAF CC(=O)N1CCC(N[C@@H]2CO[C@H](CNC(=O)c3ccc(F)cc3)[C@@H]2O)CC1 2356596136 FWRVTHOQEANRFR-KZNAEPCWSA-N 379.432 0.284 0 1 GCAF C[C@H]1C[C@@H](O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356667123 IOICPLCBYINMDA-JRRRCQDLSA-N 376.490 0.405 0 1 GCAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)CC2CCCCC2)[C@@H](O)[C@H]1O 13863072 WVHIEQRSVWLDJI-XKLVTHTNSA-N 390.444 0.114 0 1 GCAF CC(=O)Nc1nc(OCc2ccccc2)c2ncn([C@@H]3C[C@H](O)[C@@H](O)O3)c2n1 26734839 ATSMAVMOYAZTSF-DCGLDWPTSA-N 385.380 0.962 0 1 GCAF COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@@H]2c1ccc(S(N)(=O)=O)cc1 84670971 VCPPWFUNSXHCTM-MRXNPFEDSA-N 397.478 0.494 0 1 GCAF C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NS(C)(=O)=O)c2O[C@@H]1CN(C)C 95845711 NGOQGDZIZPAXSN-HEHGZKQESA-N 399.513 0.840 0 1 GCAF CC[C@@H](C)c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2o1 2356553687 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QLGFUYNJATYUBH-UHFFFAOYSA-N 381.454 0.751 0 1 GCAF CN(C)CC(=O)N[C@@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO 95907370 RJRBPHDBUORXJM-NUJGCVRESA-N 379.505 0.912 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(Cl)cc(F)c2[nH]1)C(=O)O 587223609 WYUBOMCQAXLIBK-IUCAKERBSA-N 386.767 0.659 0 1 GCAF Cc1c(C(=O)N2CC3(C2)CC(F)(F)C3)nnn1-c1nc(=O)c2cccn2[nH]1 1857607501 ALLGHPNHKRGCFZ-UHFFFAOYSA-N 375.339 0.783 0 1 GCAF CCN=c1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(N)cc3)CC2)[nH]1 1911579999 VBLMNHHNSASUKY-UHFFFAOYSA-N 376.486 0.732 0 1 GCAF O=c1oc2cc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc2c2c1CCCCC2 2356523013 CQNGCTNVCBUIBB-GJNTUIEKSA-N 392.404 0.241 0 1 GCAF COC1=C2C=CO[C]2Nc2c1ccc(O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@@H]1O)c2OC 2356809481 MZOYEYGOBMSOLD-DVUONHSQSA-N 392.384 0.718 0 1 GCAF C[C@H](N[C@H](CCC(=O)Nc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O 13599934 WURJETPEVFGNGA-CFVMTHIKSA-N 391.424 0.912 0 1 GCAF CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@@H]1C(=O)OCCO 29473726 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endogenous,in-man Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2OC2Sc3ccccc3S2)c(=O)n1 28459358 RTDYTNUNFZWJPN-DGJRKYIQSA-N 395.462 0.643 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(NCc4cc(F)cc(F)c4)ncnc32)[C@@H](O)[C@@H]1O 28647909 ZURRRIFILFFVJG-MBMVNNNZSA-N 393.350 0.328 0 1 GCAF Cc1cn([C@H]2C[C@H](CNC(=S)Nc3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O 28864370 ZVQWJASWDYNVDL-BPLDGKMQSA-N 390.465 0.728 0 1 GCAF O=C(Nc1ccc(F)cc1)N[C@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@H]1CO 95675121 TXBZUYXXZRGZTP-IKGGRYGDSA-N 393.415 0.881 0 1 GCAF O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccncn1 95676108 JMJYAJMXQVZTFW-KZNAEPCWSA-N 382.420 0.597 0 1 GCAF COC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)CC1 144611014 PEFSKJGXVIZGLW-UHFFFAOYSA-N 386.408 0.884 0 1 GCAF CN1C(=O)[C@]2(c3cc(F)ccc31)c1[nH]cnc1C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12 963211179 AYLXPQMGQOJMML-AVYPCKFXSA-N 395.394 0.527 0 1 GCAF CC[C@H](C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)([C@@H](C)O)C(C)(C)O)[C@@H]12 2356645722 CJYGEJQKEOQHSM-WEHGSPSHSA-N 399.484 0.385 0 1 GCAF CC(C)NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1cccc(F)c1 199236414 CHGITEBFKVHKMJ-QGZVFWFLSA-N 385.461 0.713 0 3 GCAF Cc1ncc(COP(=O)(O)O)c(CN[C@@](C)(CCC(=O)O)C(=O)O)c1O 12504501 CNIVMJHNGQZEAY-AWEZNQCLSA-N 392.301 0.503 0 1 GCAF in-vivo CNCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 13800533 HGPXIKRAJDHPJF-UHFFFAOYSA-N 398.466 0.293 0 1 GCAF CCN1CCc2c(sc(NC(=O)NCCN3CCOCC3)c2C(N)=O)C1 1772588173 UWXKCZYBHMMGSR-UHFFFAOYSA-N 381.502 0.679 0 1 GCAF CC(=O)Nc1ccc2ccccc2c1O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356614644 BMLOPEZLCMJHTJ-RIENRQNYSA-N 377.349 0.069 0 1 GCAF O=c1[nH]c(=O)n([C@H]2C[C@@H](CO)[C@H](O)C2)cc1/C=C/I 3653414 IVPBYJXSUIEMOB-XSHPSBQMSA-N 378.166 0.247 0 1 GCAF COCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCCC[C@@H]3C)ccc2c1=O 4791892 IMJBPVZXDLXQOY-AWEZNQCLSA-N 388.468 0.940 0 1 GCAF O=C1N[C@@]2(CO)c3nc4ccccc4c(=O)n3[C@@H]1C[C@]21C(=O)Nc2ccccc21 13309810 XDRBDKVSHABELK-NQERJWCQSA-N 388.383 0.549 0 1 GCAF CC[C@](O)(C(=O)OCc1ccc(NC(=O)CC[C@@H](N)C(=O)O)cc1)[C@H](C)O 31167977 XTGDJPLFFWQLLE-UCMVZMLTSA-N 382.413 0.382 0 1 GCAF biogenic CN1CCN(CCCNC(=O)CNC(=O)c2coc(-c3cccs3)n2)CC1 82084888 WHOIPXDBWNPZQM-UHFFFAOYSA-N 391.497 0.887 0 1 GCAF CN(CC(=O)Nc1ccccc1)C[C@H](O)Cn1c(=O)c2ccccc2n(C)c1=O 169329633 QKYNHSIKNLUBFR-INIZCTEOSA-N 396.447 0.632 0 1 GCAF COCCNC(=S)NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCC[C@@H]1COC 2356538946 WUVKCCCTCRNXEJ-TVFCKZIOSA-N 384.590 0.918 0 1 GCAF CC=C(C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@]3(O)[C@H](C)OC(=O)[C@H]3C)[C@H]12 2356643251 LZKFLVDOCDILCY-NJCVXUMOSA-N 393.436 0.734 0 1 GCAF CC=C1C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2[C@H](OC(C)=O)CN3CC[C@H](OC1=O)[C@H]23 2356726130 FUOIHFZKSQBMKK-QKTHAMEQSA-N 395.452 0.814 0 1 GCAF O=C1Nc2cc(Cl)ccc2C(=O)N2CCN(C(=O)[C@H]3CSCN3)C[C@@H]12 25207363 YSYNERNKSNZDHO-OLZOCXBDSA-N 380.857 0.608 0 1 GCAF biogenic O=C(O)[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)CCC3CCNCC3)C2)CCC1=O 26401125 YFEFXIJHEGDAHU-CVEARBPZSA-N 393.484 0.507 0 1 GCAF CC(C)CNC(=O)[C@H](CC(=O)O)NC(=O)CCCOc1ccc(C(=N)N)cc1 27562998 YRFBJMILBWGUGO-HNNXBMFYSA-N 392.456 0.861 0 1 GCAF O=C(NC[C@@H]1OC[C@H](N(Cc2cnc[nH]2)Cc2cnc[nH]2)[C@H]1O)C1CCCC1 2356287236 FNYOHWJQUHMKRM-OKZBNKHCSA-N 388.472 0.570 0 1 GCAF CN1CCN(C(=O)[C@H]2CCC[C@H](NCc3nccn3C)CN(C)C(=O)C2)CC1 2356471981 HEBCQJIUHNXGRX-IRXDYDNUSA-N 390.532 0.301 0 1 GCAF O=C(NC1CC1)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3ccc(Cl)cc3)[C@H]21 2356823704 GNXLZBWPPXFDJC-QTVXIADOSA-N 381.885 0.792 0 1 GCAF CCOP(=O)(OCC)[C@@H](O)CCn1cc(Cn2ccc(=O)[nH]c2=O)nn1 103278361 QCFLJIWGUOIHRC-CYBMUJFWSA-N 387.333 0.151 0 1 GCAF CC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3[C@H](O)[C@@H](O)[C@]12C 255278239 WWPKUIPTUTUKAJ-BPKCHSPYSA-N 380.481 0.544 0 1 GCAF O=C1[C@H]2C[C@H](O)CN2C2(CN(Cc3ccccn3)C2)C(=O)N1Cc1ccccc1 2356290055 IAODHGPEINCJCG-RBUKOAKNSA-N 392.459 0.640 0 1 GCAF NCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 13800461 CPMVWEHWZXUYFV-UHFFFAOYSA-N 384.439 0.032 0 1 GCAF CC(=O)OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 14886512 OKBDSNUMGBVAFI-UIBIWLFHSA-N 380.349 0.995 0 1 GCAF biogenic COc1ccc2cc([C@H](C)C(=O)OC[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)ccc2c1 35907428 QIDXRLSRXDOWQH-UPVJBQKYSA-N 392.404 0.295 0 1 GCAF O=C(Cc1ccncc1)NCC[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1 95677793 CZXCLXHYAUMTPI-FGTMMUONSA-N 375.469 0.955 0 1 GCAF Cc1noc(C)c1Cn1cc(-n2c(=O)[nH]c(=O)n(Cc3ccccc3)c2=O)cn1 115731258 HSSHBWJTUDSFPP-UHFFFAOYSA-N 394.391 0.585 0 1 GCAF CCOc1cc2c(c(OCC)c1OCC)C(=O)N[C@@H]1[C@@H]2C[C@H](O)[C@H](O)[C@@H]1O 1857605888 OPDPPBBQKFXLGP-UVABKVKNSA-N 381.425 0.565 0 1 GCAF C[C@@](O)(C[C@H]1C[C@@](O)(CO)C(=O)O1)[C@@H]1COc2ccc3ccc(=O)oc3c2O1 14927536 GOTGCQAKGMYEPD-JUPFADAESA-N 392.360 0.113 0 1 GCAF O=C1CN(Cc2cn(C3CCN(C4CSCCSC4)CC3)nn2)CCN1 23399477 GONKUAOWSJDBPN-UHFFFAOYSA-N 396.586 0.695 0 1 GCAF CN(C)c1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](OCC(N)=O)CO[C@@H]43)n2)cc1 36368220 PMMGOWGYBXVXIP-UKBAYJJMSA-N 399.451 0.658 0 1 GCAF biogenic CC(=O)OC[C@]1(OC(C)=O)C=C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 238746711 DNBQVMSZEVMVEK-WCXIOVBPSA-N 386.353 0.216 0 1 GCAF CO[C@@H]1O[C@H](Cn2cc(-c3ccccc3C(F)(F)F)nn2)[C@H](O)[C@H](O)[C@H]1O 49111908 LZULFAHDCSBANZ-GZBLMMOJSA-N 389.330 0.418 0 1 GCAF O=C(Cc1ccccc1)N[C@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO 95675641 CLBFLRMDTNZFIM-FGTMMUONSA-N 376.453 0.503 0 1 GCAF O=C(O)/C=C(\C(=O)O)[C@@H]1[C@@H]2NC(=O)C[C@H]3OCC[C@H]4CCN5CC[C@H]1[C@@H]5[C@H]4[C@@H]23 169290763 ZPUCRSNLEAWVOV-AUNGUEOUSA-N 390.436 0.332 0 1 GCAF CO[C@@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C 169353599 RUSMFTAJZNEMBJ-CNDRHJGMSA-N 398.456 0.329 0 1 GCAF C[C@H]1CN(c2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)C[C@@H](C)O1 205033695 JHHARPPEXBKILV-XNFJCXGQSA-N 398.427 0.493 0 1 GCAF CN1C[C@@H]2C[C@H](C1)CN2c1nc(-c2cnc(N)nc2)cc(N2C[C@@H]3C[C@H]2CO3)n1 653671250 ZMPZEXAURKVYPC-OEAJRASXSA-N 394.483 0.634 0 1 GCAF CCNCc1cccc(Cn2nnc(-c3onc(O)c3C[C@H](N)C(=O)O)n2)c1 653728705 QRYQXJHGHVRNDY-ZDUSSCGKSA-N 387.400 0.146 0 1 GCAF Nc1nc(NCC[C@H]2C=CCCC2)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 27424840 UECDEODSHCIWLV-NXWHILTBSA-N 390.444 0.178 0 1 GCAF O=C(c1ccc(Cl)cc1)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 27998664 FHGFQMNKMSEOMB-QFACEVIFSA-N 394.807 0.750 0 1 GCAF O=S(=O)(NCc1nc2c(O)nc(O)nc2[nH]1)c1ccc2c(c1)OCCO2 586942080 QVOMKYUHYAOCHC-UHFFFAOYSA-N 379.354 0.014 0 1 GCAF Cc1cc(Cl)cc2nc(C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c12 587218818 LJZOBWPYKSCFEC-VHSXEESVSA-N 382.804 0.829 0 1 GCAF Cc1c(Cl)ccc2nc(C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c12 587220214 QPJGQRINXXALDP-ONGXEEELSA-N 382.804 0.829 0 1 GCAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](c3ccccc3)N(C)N)[C@H]2SC1 40662429 HUDGSTYEPRRYDA-AXAPSJFSSA-N 376.438 0.292 0 1 GCAF OC[C@H]1O[C@@H](c2c(O)cc(O)cc2/C=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 73221294 ISYJYFWUXHMCFY-YQNXQPKHSA-N 390.388 0.489 0 1 GCAF biogenic,in-vitro C[C@H]1O[C@@H](n2cnc3c(N)nc(O[C@@H](C4CC4)C(F)(F)F)nc32)[C@H](O)[C@@H]1O 73223051 WCCXSIPIPFVPLO-NLIVVUOBSA-N 389.334 0.767 0 1 GCAF Cc1ccc2c(ccc3nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c32)n1 587221943 RUBHPHAGHVGTTJ-RISCZKNCSA-N 399.407 0.724 0 1 GCAF CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@]2(O)C=C[C@](C)(O)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@H]12 2356629731 OPGJIRGRIDHFPI-IKVHMPJJSA-N 382.453 0.945 0 1 GCAF COc1cc(O)c2c(c1)C1=C[C@@H]3O[C@](O)(C(=O)O)C[C@@]3(O)C[C@]1(C)OC2=O 2356865678 VLBWUASOVMKUPK-JUKXBJQTSA-N 378.333 0.410 0 1 GCAF O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CC1 95904042 KCJLPEXOQNKRCT-RCCFBDPRSA-N 396.509 0.931 0 3 GCAF COc1ccccc1OC[C@@H](O)CNCCOc1ccc(O)c(C(N)=O)c1 27979583 RIKMLPIIVANRSU-ZDUSSCGKSA-N 376.409 0.908 0 1 GCAF C[C@@H]1CCC(C(=O)O)=C(NC(=O)[C@@H](N)Cc2nc(-c3ccc(O)cn3)no2)C1 71418534 AZRYCCXGUQHARW-SKDRFNHKSA-N 387.396 0.982 0 1 GCAF COc1ccc(S(=O)(=O)N[C@H](c2nc3c[nH]c(=N)[nH]c-3n2)[C@@H](C)O)cc1 586938376 XCYCTYPYIGCHDO-PELKAZGASA-N 378.414 0.126 0 1 GCAF O=C(N[C@@H]1CCN2C(=O)[C@@H]3[C@@H](OCC4CC4)CCN3C(=O)[C@@H]12)c1cccs1 2356872028 YOAOTRRBQMURFP-CLWVCHIJSA-N 389.477 0.857 0 1 GCAF CC(C)CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NCc1ccccc1 95599093 XYDUVJKVHNKYHH-SFHVURJKSA-N 381.498 0.821 0 3 GCAF CCCNc1ncnc2c1nc(NC1CCCC1)n2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 48999229 CJONGHTWIJYWQY-GDLHICMESA-N 392.460 0.614 0 1 GCAF O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1 95903742 HDMJUGRTWFBQSU-RCCFBDPRSA-N 381.517 0.803 0 1 GCAF CO[C@@H]1C[C@@]23[C@H]4C[C@@H](C(C)(C)C)[C@@]25[C@H](OC(=O)[C@@H]5OC)O[C@@]3(C(=O)O1)C(=O)O4 101121267 NNTPCQLOJCHHSL-CPTNLRLOSA-N 396.392 0.537 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)C(C)(C)C2 238744326 QFXWNTWJLHHEKX-OMNJKAEPSA-N 394.464 0.427 0 1 GCAF endogenous,in-man O=C1NC(=O)[C@@H]2[C@H]1C1(c3ccccc3)NC2(c2ccccc2)[C@@H]2C(=O)NC(=O)[C@@H]21 299877733 HUIJEPIOIVWLJF-XWOPMXEGSA-N 387.395 0.172 0 1 GCAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCCN1CCOCC1 2356298685 UFIIGLJHQRTWOF-IPMKNSEASA-N 397.633 0.835 0 1 GCAF CN1CC[C@@]23C(=O)C[C@H]4C(=CCO[C@@H]5[C@@H](O)C(=O)N(c6ccccc62)[C@H]3[C@H]54)C1 2356517678 QTACQHXNLDIUBW-GMRJOTCPSA-N 380.444 0.880 0 1 GCAF CC=C(C)C(=O)O[C@@H]1CCN2C[C@H]3[C@H](O)[C@@H](CN4C(=O)[C@H](O)CC[C@H]34)[C@H]2C1 2356566961 ATRRNWLGGVBVEO-MKHKUUNOSA-N 378.469 0.301 0 1 GCAF CC(=O)N1CCN(C(=O)Cc2cc(F)cc(F)c2)[C@@H](CN2CC[C@@H](O)C2)C1 26290770 WLZKXQIQNDDGFA-ZWKOTPCHSA-N 381.423 0.633 0 1 GCAF CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 45298728 NVINXDUHMZXGJN-SDBHATRESA-N 383.474 0.692 0 1 GCAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(O)nc(O)nc3[nH]2)[C@H](C)O)cc1 586937374 SYIJCQZVHVIHNW-OIBJUYFYSA-N 395.397 0.173 0 1 GCAF Nc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1N 586942669 YYQXOBYOZUEIJJ-UHFFFAOYSA-N 375.410 0.977 0 1 GCAF Nc1nccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12 587185058 IFVIOMGYYFGYJI-UHFFFAOYSA-N 384.137 1.088 0 1 GCAF Cc1ccc(CN2C(=O)[C@@H]3C[C@H](O)CN3C3(CN(Cc4ccncc4)C3)C2=O)o1 2356290523 VQTZBPQYCNTXGR-WMZOPIPTSA-N 396.447 0.542 0 1 GCAF O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1COCC1=O 29566810 UDLFAXDTJKYFJA-RYUDHWBXSA-N 390.417 0.949 0 1 GCAF Cc1cnc(Cl)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc12 587218405 IZPNLDGGUHIBHE-HTQZYQBOSA-N 383.792 0.744 0 1 GCAF C[C@@H]1O[C@H](n2c(I)cc3c(N)ncnc32)[C@H](O)[C@@H]1O 2356444458 WMOMIBDLQSCJFM-UYMRUIBKSA-N 376.154 0.257 0 1 GCAF COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@@H]2N=C(C(C)=O)[C@@H]3[C@H]4CO[C@H]1[C@H](O)[C@]243 2356615908 PDQWKABOOJGRIL-OVFKDFHMSA-N 398.415 0.649 0 1 GCAF CC(C)CN1C(=S)N(Cc2ccc(F)cc2)[C@@H]2[C@H](O)[C@H](O)C[C@H](C(N)=O)[C@@H]21 2356839591 LWBYOPAUICBXBR-BQJWPVKWSA-N 395.500 0.848 0 1 GCAF COCC(=O)NC[C@H]1CN(c2ccc(N3CCS(=O)CC3)c(F)c2)C(=O)O1 11524745 RIZBLRQBNYBJOU-ZDUSSCGKSA-N 399.444 0.482 0 1 GCAF CCO[C@H]1O[C@H](COC(=O)C(C)(C)C)[C@@H](O)C[C@@H]1n1cc(C)c(=O)[nH]c1=O 31899985 HDGZTAFELKEMDZ-XPCVCDNBSA-N 384.429 0.488 0 1 GCAF O=C(Cc1ccccc1)N[C@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO 95675644 CLBFLRMDTNZFIM-BZSNNMDCSA-N 376.453 0.503 0 1 GCAF N[C@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587218840 IPSAIUIPDFSBJA-RKDXNWHRSA-N 386.767 0.659 0 1 GCAF C[C@@H]1S[C@@H]2N[C@H](Cn3nnn(-c4ccccc4Cl)c3=O)NC(=O)[C@H]2[C@@H]1C 618014110 GWLHCOAOMIXXPV-IDVPMLIHSA-N 394.888 0.842 0 1 GCAF COCCNC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(C)n(C)n2)CN(C)C(=O)C1 2356299009 QWSZXGKCEBLYCJ-CABCVRRESA-N 393.488 0.238 0 1 GCAF CC1(C)CC[C@@H]2OC(=O)[C@]34C[C@@H]5[C@H](OC[C@@H]5C3=O)[C@H](O)[C@@H]4[C@]23CO[C@H](O)[C@@H]13 2356384191 CWVXJOWTWLNNLJ-XCPJMLFKSA-N 378.421 0.264 0 1 GCAF COc1ccc(CNC(=O)C[C@@H]2C[C@@H]3O[C@H](CNC(C)C)[C@H](O)[C@@H]3O2)cc1 2356750956 DGBKRLBTMMSWFL-VBYALHQYSA-N 378.469 0.985 0 1 GCAF NC(=O)CO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NS(=O)(=O)c1ccc2ccccc2c1 2356856595 SBNICJFKKXUXRA-JOCBIADPSA-N 392.433 0.155 0 1 GCAF COCC(=O)N1CC[C@@H]2CC(=O)N([C@H](Cc3ccccc3)C(N)=O)CC[C@H]2C1 2356871214 XYOPJSFXBYTGRP-FGTMMUONSA-N 387.480 0.817 0 1 GCAF CC(=O)N1CCCN(C(=O)C[C@@H]2C(=O)NCCN2CC2CCCCC2)CC1 12386632 AOJPSTLFDVJECT-GOSISDBHSA-N 378.517 0.838 0 1 GCAF CCNC(=O)C(=O)[C@H](CC)NC(=O)[C@@H](CC(C)C)NC(=O)c1cccnc1 27330329 IBEAJSQPIKDSAN-LSDHHAIUSA-N 376.457 0.826 0 1 GCAF CCN(CC)c1nc(N)nc2c1ncn2C[C@H](CF)OCP(=O)(O)O 71317687 YUGPVYOFDUMEBM-VIFPVBQESA-N 376.329 0.745 0 1 GCAF CC1=C([C@H](C)CO)C[C@@]2(O)[C@@]3(C)CC(=O)O[C@@]4([C@@H](O)[C@@H](C)CC[C@@]34O)[C@@]12O 100778660 WIFHAKQJYHVTQK-WFEXRZGUSA-N 382.453 0.025 0 1 GCAF endogenous,in-man CC1(C)O[C@@H]2O[C@H](COc3nc(N)nc4nc[nH]c34)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 261123752 JYCGZVPVCFOJMF-HEYQWBTNSA-N 393.400 0.710 0 1 GCAF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 586934894 ADPDKZQBZPTSQN-OAHLLOKOSA-N 388.409 0.717 0 1 GCAF CN1CCC(N2CC3(C2)C(=O)N(Cc2ccccc2)C(=O)[C@H]2C[C@H](O)CN23)CC1 2356291667 ZYKLFZKQPAVDRK-RBUKOAKNSA-N 398.507 0.139 0 1 GCAF COc1cc(C[C@]2(O)C(=O)OC[C@]2(O)Cc2ccc3c(c2)OCO3)ccc1O 2356616873 JHQVTHDUKGREML-UXHICEINSA-N 388.372 0.934 0 1 GCAF Cn1cccc1C(=O)N[C@@H]1CCN2C(=O)[C@@H]3C[C@H](OCC4CC4)CN3C(=O)[C@@H]12 2356671949 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394.376 0.334 0 1 GCAF in-vitro CC(C)(C)c1ccc2nc(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2n1 587218879 IXQVMYBNCPHDKJ-ONGXEEELSA-N 391.428 0.559 0 1 GCAF CC=C1C[C@H](COC(C)=O)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 2356602691 JAWLPMQZKYJXPI-WWNBULGVSA-N 393.436 0.736 0 1 GCAF Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl 13520197 HOLJYLOVIHBQHO-UHFFFAOYSA-N 387.827 0.361 0 1 GCAF in-vivo CCN1C[C@@H]2[C@@H]3C[C@H]4[C@@H]1[C@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@@H]2[C@@H](OC)C[C@]4(O)[C@@H]1[C@@H]2O 2356730329 YEOLFWLRGOEFNZ-YNLLVHTCSA-N 393.524 0.485 0 1 GCAF CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@@H]3[C@@H](NC(=O)C4CC4)CO[C@H]32)cc1 25220193 FKSBFWXNECBTHC-HZMVEIRTSA-N 384.440 0.640 0 1 GCAF biogenic CCC(CC)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N(C)C)[C@@H](O)[C@H]1O 49055607 AZRMTKCPVIAZLZ-PFHKOEEOSA-N 378.433 0.134 0 1 GCAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(C)=O)[C@@H](C(=O)NCC2CC2)[C@@H]1CO 95796972 BVSPCLLKQXCBOR-KCRULICQSA-N 385.464 0.918 0 1 GCAF COCC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2ccccc2OC)O[C@@H]1CO 95906788 SKKODOPUHLUDOU-ZMSDIMECSA-N 378.425 0.149 0 1 GCAF Cc1c(O)ccc2c1[C@@]1(CNS(=O)(=O)c3ccsc31)N[C@H](C(=O)O)C2 963492928 UGYXURLMWXDIGJ-MGPLVRAMSA-N 380.447 0.897 0 1 GCAF C[C@]1(O)C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1 1772626141 OSIZUMONRUBHFM-HJGJAMNPSA-N 383.456 0.628 0 1 GCAF CN1CCN([C@H]2CN(Cc3cn(Cc4ccccc4)nn3)S(=O)(=O)C2)CC1 96020955 NKPHCLQMTXLSJX-SFHVURJKSA-N 390.513 0.088 0 3 GCAF OC[C@@H]1O[C@@H](c2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 15260912 ISYJYFWUXHMCFY-CQMZDJETSA-N 390.388 0.489 0 1 GCAF endogenous,in-man CC(=O)N1CCN(C(=O)C2CCCCC2)[C@H](C(=O)N[C@@H]2CCCNC2=O)C1 25429491 NMJSNHBIBKYOMI-CVEARBPZSA-N 378.473 0.021 0 1 GCAF biogenic O=C(NC1CCCCC1)N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@H]1CO 95678444 RNIDAHWWXILMTD-ZACQAIPSSA-N 381.473 0.552 0 1 GCAF COCCNC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 95907842 LSZBVVJSMSSYDQ-UAGQMJEPSA-N 398.481 0.111 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCOCC3)[C@H](O)[C@H]2O1)NCc1cccnc1 2356759527 WNZSVROEIFFBLT-GCLMUHHRSA-N 391.468 0.142 0 1 GCAF CO[C@@H]1C[C@@H]2C(=O)N3CC[C@@H](NC(=O)c4cccc(F)c4)C[C@H]3C(=O)N2C1 2356866367 WFDDMRAVKMHSDQ-LVQVYYBASA-N 375.400 0.545 0 1 GCAF NC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 4479732 KUXUIOIWNJNSIB-CYBMUJFWSA-N 388.424 0.470 0 3 GCAF COCCN(CC(=O)NC[C@@H]1CCCO1)C(=O)CCC(=O)Nc1ccccn1 4848188 NKGCIONVAVTNPB-HNNXBMFYSA-N 392.456 0.571 0 3 GCAF COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCC2CCOCC2)c1 11762683 MACAYIBJENZGLQ-GOSISDBHSA-N 375.469 0.929 0 3 GCAF CC(=O)NCCNC(=O)[C@]1(C)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 61926614 ZEBNFYGMKAVUHF-FQEVSTJZSA-N 382.420 0.793 0 3 GCAF COc1ccc2c(c1)OC(N)=C1C(=O)N(CCCN3CCOCC3)C(=O)C[C@H]12 206393662 FJPWZNNNSZTYTN-HNNXBMFYSA-N 387.436 0.823 0 3 GCAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3cccc4c3OCO4)[C@@H]2SC1 40491936 WNUHCOHODVWULK-GDLVEWKHSA-N 391.405 0.174 0 1 GCAF NS(=O)(=O)c1ccc(CN2S(=O)(=O)c3ccccc3S2(=O)=O)cc1 95587309 YEMSGMXUEYBUME-UHFFFAOYSA-N 388.448 0.227 0 1 GCAF CCc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C)cc1 118441295 GBVDTKXHUHCPPZ-ILYVXUQDSA-N 378.425 0.050 0 1 GCAF CNC(=O)c1ccccc1OCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 1772599665 XAUDUCYAIZRLOR-SFHVURJKSA-N 397.475 0.960 0 1 GCAF CN1[C@H](CCC(=O)N2CCC(O)CC2)CNC(=O)[C@H]2[C@H]1CCN2CC(C)(C)C 2356866469 VNIALWDHFSGBMY-SZVBFZGTSA-N 394.560 0.669 0 1 GCAF Cc1cn([C@H]2C[C@H](O)[C@@H](/C=C/C(=O)NCCc3cccs3)O2)c(=O)[nH]c1=O 199374286 HMWQZRQUBOKDAZ-HZLRFILRSA-N 391.449 0.470 0 3 GCAF O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1-c1cscc1Br 27525579 BKJOSZFLRXVYPW-DCAQKATOSA-N 389.227 0.668 0 1 GCAF COC(=O)CCCNC(=O)[C@@H]1[C@H](NC(=O)NC(C)C)CCN1C(=O)C=C(C)C 34258138 CAMILJFVGBKPHQ-PBHICJAKSA-N 396.488 0.699 0 1 GCAF biogenic O=C(NCC(F)(F)F)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1C(=O)C1CC1 95881498 HYHGLNWEXAHCEQ-AZHAFVHUSA-N 399.369 0.427 0 1 GCAF CN(C)CC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 95894342 GCNNVXDGYWQKMM-HBFSDRIKSA-N 380.448 0.959 0 1 GCAF CCS(=O)(=O)N1CC[C@H](OC)c2ccccc2N(CC(=O)NC)C(=O)C1 299852142 OBAWJTSXZDDFPJ-HNNXBMFYSA-N 383.470 0.509 0 1 GCAF CN(C)CCOc1ccc(N2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 653816264 AHSLSUWOGCWHAY-UHFFFAOYSA-N 398.467 0.916 0 1 GCAF COCC(=O)NC[C@@H]1OC[C@@H](N(Cc2ccccn2)Cc2ccccn2)[C@@H]1O 2356287608 MISBBAFNUMSYDP-HBFSDRIKSA-N 386.452 0.370 0 1 GCAF CNC(=O)[C@@H](c1ccccc1OC)N1CCC[C@@H]1C(=O)NCCNC(C)=O 2356298924 KKKYLZGMXRTUKP-NVXWUHKLSA-N 376.457 0.199 0 1 GCAF CC(=O)OC[C@]1(OC(C)=O)C=C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 2356675037 DNBQVMSZEVMVEK-YLFCFFPRSA-N 386.353 0.216 0 1 GCAF CN(C)CCN1CCN([C@H]2CN(CCc3ccccc3)S(=O)(=O)C2)CC1 72142604 XAOGIDPKGCGREN-IBGZPJMESA-N 380.558 0.422 0 3 GCAF CC(C)C[C@H](NC(=O)CCOc1ccccc1)C(=O)N[C@H]1CC(=O)O[C@H]1O 13819198 SWFLTQBMIJVLEP-YZVOILCLSA-N 378.425 0.737 0 1 GCAF Cc1cc(N2CCN(C(=O)[C@@H]3CN[C@H](C(=O)N4CCCC4)C3)CC2)sn1 29130677 YGJXGPBQEVQQHA-GJZGRUSLSA-N 377.514 0.701 0 1 GCAF O=C(N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CC1 95903625 AKBNLSCHUNSEND-XHSDSOJGSA-N 378.473 0.865 0 1 GCAF COc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1C 587219728 LKVUCCJJZCKJNP-UWVGGRQHSA-N 378.385 0.704 0 1 GCAF CN1[C@H](CCC(=O)N2CCCC2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ccccn1 2356828606 IIQVZHOKCCKZIP-GGPKGHCWSA-N 385.512 0.857 0 1 GCAF O=C(CC[C@@H]1CNC(=O)[C@H]2C[C@H](NC(=O)C3CC3)CN12)NCc1cccs1 2356873312 YGBIFCBZMURIJM-SQWLQELKSA-N 390.509 0.612 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@@H](C)C2 33833421 UQYNGSPDPASNLN-WACYWOKVSA-N 380.437 0.037 0 1 GCAF biogenic,in-vitro OC[C@H]1O[C@H](n2cnc3c(N[C@@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 48995480 FSKMJUWPFLDDRS-FIAIHSGVSA-N 383.408 0.537 0 1 GCAF CC(C)(C)OC(=O)N[C@@H](Cc1ccc([C@H]2CC(=O)NS2(=O)=O)cc1)C(N)=O 103199277 LRXWMSQZNPFGMU-QWHCGFSZSA-N 397.453 0.499 0 1 GCAF C[C@H]1CCC[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C2=O 1857570567 QUTUODGLIAAMJE-GTNSWQLSSA-N 394.453 0.773 0 1 GCAF Cc1nc(OCC(=O)N(C)C2CCN(Cc3ncccn3)CC2)nc(C)c1N 1911572306 VHKTZAGQFBXAJL-UHFFFAOYSA-N 385.472 0.967 0 1 GCAF O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc2[nH]c(=O)[nH]c2c1 36384452 VXEMGYBBDLKLHV-UHFFFAOYSA-N 386.339 0.907 0 3 GCAF CC(C)CCNC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 3792958 NFHMVLYHHDKJEK-CJNGLKHVSA-N 378.473 0.045 0 1 GCAF O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O)[C@@H]1CCCN1 34405703 IALSFJSONJZBKB-JYJNAYRXSA-N 375.425 0.247 0 1 GCAF COC(=O)Cn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82210545 ZLBHADONKKEOER-CYBMUJFWSA-N 384.392 0.546 0 1 GCAF O=C(NC1CCCCC1)N[C@@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO 95907808 WOVGJBDURFNDFR-GVDBMIGSSA-N 383.489 0.776 0 1 GCAF CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O 96900872 AOOYJVBMRQULKJ-BQVMBELUSA-N 396.835 0.199 0 1 GCAF CC(C)C(=O)O[C@@H]1[C@@H](OC(=O)C(C)C)[C@H](O)O[C@H](CO)[C@H]1OC(=O)C(C)C 145797793 NVEWKQZGZJWFKH-MSGZUBATSA-N 390.429 0.399 0 1 GCAF N[C@H](CC[P@](=O)(O)[C@@H](O)c1ccc(OCC(=O)O)c([N+](=O)[O-])c1)C(=O)O 149037479 UFAMDVHATQKVBA-AMIZOPFISA-N 392.257 0.122 0 1 GCAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586938526 KEBACGJNCPBRQB-QMMMGPOBSA-N 376.398 0.667 0 1 GCAF N[C@@H]1[C@@H](N(CCO)C(=O)/C=C/c2ccco2)C(=O)NC(=O)N1Cc1ccccc1 618014930 HICSAJMYQVYGAK-NUQYTELCSA-N 398.419 0.519 0 1 GCAF Nc1ncnc2c1c(-c1ccc(Cl)cc1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1857577742 KTFHCMFKCRSHAI-LSCFUAHRSA-N 376.800 0.945 0 1 GCAF CC(=O)Nc1ccc2ccccc2c1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356614643 BMLOPEZLCMJHTJ-BEHLRCOKSA-N 377.349 0.069 0 1 GCAF O=C1N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(C(=O)c3cccnc3)C[C@@H]12 4270879 HTVFCURRXRRWQZ-IRXDYDNUSA-N 382.395 0.615 0 1 GCAF biogenic CC(=O)N/C=C/SC1=C(C(=O)O)N2C(=O)[C@@H]([C@H](C)OS(=O)(=O)O)[C@@H]2C1 14766062 FQQFFZPBGYGDSX-RPJJZBAWSA-N 392.411 0.062 0 1 GCAF in-vitro C[C@H](O)CN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O 28954091 OPOXCSGASPSQQJ-YFKPBYRVSA-N 382.225 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0 1 GCAF CCC(=O)NC(=N)N[C@H]1CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O 1772582558 TZXPSKINHCDCII-SQWLQELKSA-N 382.461 0.899 0 1 GCAF COC(=O)[C@@H]1CCCN1[C@@H]1CNCC[C@H]1NS(=O)(=O)c1ccc(C)cc1 1857746106 PTVSIEFULKPEAR-IXDOHACOSA-N 381.498 0.641 0 1 GCAF O=C1[C@@H]2C[C@H](O)CN2C2(CN(Cc3cccnc3)C2)C(=O)N1Cc1cccnc1 2356764401 FMKMOQDLKGLPQW-ROUUACIJSA-N 393.447 0.035 0 1 GCAF Cc1cccc(CCNC(=O)CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c1 201446147 OKAJNNHPNOAFHV-UHFFFAOYSA-N 387.465 0.720 0 3 GCAF C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F 1540214 ZOKFZYIMKWEQFC-CYBMUJFWSA-N 382.360 0.959 0 1 GCAF C[C@H](NC(=O)c1ccc(NC(=N)N)cc1)C(=O)N1CCC(OCC(=O)O)CC1 26186337 VKKXWDRIVCFYIR-NSHDSACASA-N 391.428 0.202 0 1 GCAF O=C(O)Cc1cs/c(=N/C(=O)CS(=O)(=O)c2ccccc2Cl)n1O 40421014 ZOHIUWKGOJYBSV-FYWRMAATSA-N 390.826 0.969 0 1 GCAF CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(N)=O)c1=O 148997604 MIRXBDXWMZSIRY-UHFFFAOYSA-N 384.367 0.677 0 1 GCAF O=S(=O)(NCc1nc2c(O)nc(O)nc2[nH]1)c1ccc(F)c(F)c1F 587135862 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Nc1nc2c(ncn2CCCCC[P@](=O)(O)CP(=O)(O)O)c(=O)[nH]1 1533468 IANVADXKYSDKCZ-UHFFFAOYSA-N 379.250 0.278 0 1 GCAF O=C(O[C@@H]1[C@@H](O)[C@H](Oc2ccccc2CO)O[C@H](CO)[C@H]1O)c1ccccc1 31167890 WUOFKHTVWRRLNC-YFYQMDMQSA-N 390.388 0.222 0 1 GCAF O=C([C@H]1N[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]2[C@@H]1CO)N1CCOCC1 95880498 HHSFPDSCGFVPGZ-XEYPJELSSA-N 395.459 0.625 0 1 GCAF Cn1ccnc1[C@@H](NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)c1ccccc1 95921401 KPWKGDCQLFIJMC-IDCNUPLLSA-N 397.435 0.298 0 1 GCAF in-vitro Cc1c(Cl)ccc2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c12 587219287 NTWIVDFKDNPKLD-GXSJLCMTSA-N 382.804 0.829 0 1 GCAF COC(=O)CC[C@H](N)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587259797 MRJPPMWFAIEIIM-LBPRGKRZSA-N 382.442 0.537 0 1 GCAF COCC(=O)NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCN(c2ccccn2)CC1 2356300952 XWGNORHEZGBSJN-QRVBRYPASA-N 387.528 0.677 0 1 GCAF CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccc3c(c2)OCO3)[nH]c1=O 34987536 KXZSACZFQTZAFO-UCBYMZIYSA-N 380.404 0.470 0 1 GCAF 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CN1C=N[C@H]2[C@@H]1C(=O)N(CCCCc1ccc3c(O)nc(O)nc3n1)C(=O)N2C 587558958 VNLIZAMUDCNJCA-TZMCWYRMSA-N 399.411 0.321 0 1 GCAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)N1 587832202 ZOBODWGQPKWUOT-IKWYMEDFSA-N 378.238 0.627 0 1 GCAF COc1cc2c(cc1O)[C@@]1(O)C(=O)c3c(ccc4c3OCO4)[C@]1(O)N(C)CC2 2356735736 IDMQSJIRQBRWHI-WOJBJXKFSA-N 385.372 0.847 0 1 GCAF CN1CCC(NC[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2N2CCc3ccccc3C2)CC1 2356808781 AKCBHBQPJNWHSC-DOIPELPJSA-N 375.513 0.218 0 1 GCAF CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](NS(C)(=O)=O)CO[C@@H]23)cc1 2356828855 ILURWSAZJACKTF-TUVASFSCSA-N 384.410 0.522 0 1 GCAF CCCN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)C(=O)N3)CC1 36130735 QWXJEUROZRRHMQ-LBPRGKRZSA-N 380.470 0.930 0 3 GCAF C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)CN21 15708440 LUOHDPGDTHZPSP-ZNMIVQPWSA-N 389.481 0.341 0 1 GCAF biogenic CN(C)Cc1cn([C@@H]2CO[C@@H]3[C@@H](OC(=O)NCc4ccccc4)CO[C@@H]32)nn1 36365649 AJLJGETYHJJNGT-XMTFNYHQSA-N 387.440 0.973 0 1 GCAF biogenic C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605574 BEKFJEHPEIOIAV-KCIPRFJISA-N 376.361 0.186 0 1 GCAF CC(=O)O[C@@H]1C[C@](C)(O)[C@@]2(OC=O)CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2 2356397019 DHSGPJSOXBUHNM-XFKAJCMBSA-N 382.365 0.241 0 1 GCAF CC(=O)[C@@H]1[C@@H](O)[C@H](O)[C@@]2(O)[C@]3(O)CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356633078 OFRHDDLUFVBVKA-KJUWPLBJSA-N 382.497 0.767 0 1 GCAF COC(=O)c1cn([C@@H]2CO[C@H]3[C@H]2OC[C@H]3NC(=O)Cc2cccs2)nn1 2356815878 CWHQHIXEZJFNQA-GBOPCIDUSA-N 378.410 0.192 0 1 GCAF COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)c1ccc(C)cc1 16052079 BMHZOSJVDHAFEE-SVGFKBNWSA-N 393.484 0.564 0 1 GCAF in-vivo O=C(N[C@@H]1CCN2C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H]2C1)c1ccco1 36355630 UMWAXZIZSKKAAT-FVQBIDKESA-N 383.404 0.816 0 1 GCAF biogenic CCCN1CCN(S(=O)(=O)c2ccccc2OC)[C@H]2CS(=O)(=O)C[C@H]21 72409100 HZPGRSAADZGXHC-KGLIPLIRSA-N 388.511 0.577 0 1 GCAF CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@@H]6O 255272913 VGMSYPBIRZMVCJ-IXYTZAQFSA-N 393.524 0.223 0 1 GCAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](O)[C@@H](O)CO)[nH]c2c1 586893399 XRGYOXJBJXFQHE-GOEBONIOSA-N 393.421 0.759 0 1 GCAF Cc1nc2nc(O)nc(O)c2cc1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O 587557098 GNPZKVZVRQJOTI-JSGCOSHPSA-N 399.411 0.239 0 1 GCAF O=C(O)CCNc1nc(N2CCN(c3ccccn3)CC2)cc(-n2nccn2)n1 653694247 WUXKGZDUHSQLHM-UHFFFAOYSA-N 395.427 0.666 0 1 GCAF COc1ccc(-n2nnc3c(NCCN4CCOCC4)ncnc32)cc1OC 653861809 OTJVJFGRKQNZBX-UHFFFAOYSA-N 385.428 0.972 0 1 GCAF COCCNC(=O)[C@H]1CCC[C@H](NC(=O)c2cc(C)n(C)n2)CN(C)C(=O)C1 2356299010 QWSZXGKCEBLYCJ-GJZGRUSLSA-N 393.488 0.238 0 1 GCAF COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1=C(C2=O)N(C)[C@@H](O)C=3 2356867191 ARCOWEWMRDITIW-INIZCTEOSA-N 383.400 0.737 0 1 GCAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCc2ccccn2)[C@@H](O)[C@H]1O 28523320 SZXHSSHDQHZYAO-LSCFUAHRSA-N 388.453 0.399 0 1 GCAF COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)O[C@@H](C)[C@H](OC(C)=O)[C@H]2O)ccc1O 33833053 BCCVUXNXLHXLEU-GXUBFAJUSA-N 382.365 0.356 0 1 GCAF biogenic,in-vitro NCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@H](c1ccccc1)CN2 82210238 AMGDZUZCJOMSOR-ZDUSSCGKSA-N 381.392 0.829 0 1 GCAF O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO 95903435 DICINUGHTLCIMB-KURKYZTESA-N 397.516 0.040 0 1 GCAF O=C(C[C@@H]1CC[C@H](NC(=O)c2ccccc2)[C@H](CO)O1)NCc1ccncn1 95905411 DDMOSXHNDSWOGY-BZSNNMDCSA-N 384.436 0.821 0 1 GCAF O=C1NC2=Nc3ccccc3OC2=CN1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1 98209635 CEYLCTLUVICBGV-ZWKOPEQDSA-N 397.280 0.561 0 1 GCAF in-vitro COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](O)[C@@H](O)CO)[nH]c3c2)cc1 586888640 IZQCJSJDDPKHQZ-HOTGVXAUSA-N 393.421 0.759 0 1 GCAF CCCCN1C(=O)[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3F)C2)C1=O 2356290804 BYSAPGNQXVWRCP-NVXWUHKLSA-N 375.444 0.984 0 1 GCAF N=C(N)c1ccc(C2=NO[C@H](CC(=O)NC(CC(=O)O)CC(=O)O)C2)cc1 13763277 YEXSQMPJEICASR-LBPRGKRZSA-N 376.369 0.288 0 1 GCAF COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCCO 40950005 BVPRPKGQOIQLMI-LBPRGKRZSA-N 382.438 0.398 0 1 GCAF CC(=O)[C@H]1C[C@@H](O)[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 95912087 GLPORXYCNWDFPS-NHOWAZTHSA-N 380.481 0.687 0 1 GCAF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 586936498 POEGWCCJKVQBOC-UHFFFAOYSA-N 388.405 0.765 0 1 GCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C(=O)O[C@@H]2[C@@H](O)CO 587842054 OKJUQTGDQCYIPD-QWCFKKOYSA-N 388.189 0.165 0 1 GCAF CC=C1C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2[C@H](OC(C)=O)CN3CC[C@H](OC1=O)[C@@H]23 2356726129 FUOIHFZKSQBMKK-LAFYYRRQSA-N 395.452 0.814 0 1 GCAF CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@@]1(C)F 72107345 DUCVAONKZBQKMC-VHQAPHLWSA-N 389.280 0.949 0 1 GCAF O=C(O)Cc1ccc(-c2ccccc2O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 95565293 UEJLMPCPAKONCP-XLSIIYIISA-N 390.388 0.159 0 1 GCAF CO[C@@H]1[C@H]2[C@H](O)[C@@H]3O[C@@]45C(=C(O)[C@@H](C)C[C@](C)(O)C(=O)[C@H]14)C(=O)O[C@@]25C[C@@H]3C 100306692 MHJGAFOCZUZLAB-VEROXOEGSA-N 394.420 0.253 0 1 GCAF in-vitro COC(=O)c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cc2)cc1 169724875 MHSXVUJORQQJOJ-KLBVCGFUSA-N 390.388 0.319 0 1 GCAF COC(=O)[C@]12[C@H]3C[C@H]4[C@H]5N(C)c6ccccc6[C@@]5(C[C@@H]1N4C[C@@H]3[C@H](C)O)[C@H]2O 255251772 OEGZONSWPCBTKS-YNBUEYQGSA-N 384.476 0.750 0 1 GCAF O=C1CSC[C@@H](c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)N1 587044010 XKQKKWQTYIADEF-HNNXBMFYSA-N 389.481 0.217 0 1 GCAF CC(C)[C@@H](N)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]2OC[C@H](c3ccccc3)O[C@H]12 653707812 VGUWBHGUCAMMKR-ZECFBFNRSA-N 381.425 0.116 0 1 GCAF O=C(NC1CCCC1)N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@H](O)[C@H]1O 2356289931 DPTRJZRIVQSRAK-WCZJQEMASA-N 386.456 0.692 0 1 GCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3cccnc3)[C@H](O)[C@@H]2O1 2356312360 SXQMVBBDJGODJA-GFISCPRKSA-N 378.429 0.405 0 1 GCAF COc1ccc2c([nH]c3c(C)nccc32)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356411970 DCCRHRRPKQISNG-IGZUXUIZSA-N 390.392 0.212 0 1 GCAF CC(=O)N/C=C\SC1=C(C(=O)O)N2C(=O)[C@@H]([C@@H](C)OS(=O)(=O)O)[C@H]2C1 26651306 FQQFFZPBGYGDSX-NEMJYBQNSA-N 392.411 0.062 0 1 GCAF Cn1c(C(C)(C)C)nc(C(=O)NCc2ccc(F)cc2C(N)=O)c(O)c1=O 29047685 VCWQGATWLYZGOY-UHFFFAOYSA-N 376.388 0.951 0 1 GCAF C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O 29413735 WJCRFGFGOJNWSD-DDBVJUCRSA-N 399.451 0.871 0 1 GCAF NCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82210240 AMGDZUZCJOMSOR-CYBMUJFWSA-N 381.392 0.829 0 1 GCAF NS(=O)(=O)c1ccccc1NC1=c2cc(OC(F)(F)F)ccc2=NC1=O 653733738 CQQYSYQQCITAPY-UHFFFAOYSA-N 385.323 0.613 0 1 GCAF CCOC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2nc(C)cc(=O)n12 1857559139 PZFPBGHOUPYAQE-UHFFFAOYSA-N 377.382 0.013 0 1 GCAF C[C@H]1C[C@@H](C)C(=O)[C@@H]2C[C@H]3[C@H](O)[C@]4(C)O[C@]25C(=C1O)C(=O)O[C@]35C[C@@H]4CO 2356334844 OEVGTEZGSWWQLP-LSOCAVAWSA-N 378.421 0.876 0 1 GCAF CS(=O)(=O)c1ccc(OC[C@@H]2C[C@H](NC(=O)C3CCCC3)[C@@H](O)[C@H]2O)cc1 2356290614 XMHJDLKYUUSYMF-XDKFSHSGSA-N 397.493 0.886 0 1 GCAF CC(C)CC(=O)N[C@H]1CCC[C@H](C(=O)N2CCN(C)CC2)CC(=O)N(C)C1 2356367110 WGYVJFJCHQOQAZ-IRXDYDNUSA-N 380.533 0.940 0 1 GCAF CCCNC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCC(F)(F)C3)O[C@H]2[C@@H]1O 2356494660 LJMIROMOIQLMMP-GGUBGCTKSA-N 391.415 0.239 0 1 GCAF CN(C)Cc1cn(C[C@H]2C[C@H]3CCN2C[C@H]3C(=O)NCc2cccnc2)nn1 2356857176 SHANKEBLIVIWFB-BHIYHBOVSA-N 383.500 0.762 0 1 GCAF NC(=O)C(=O)N1CCN2C(=O)c3cc(-c4ccccc4)ccc3NC(=O)[C@H]2C1 4235868 LLPXXIAIVFWNFO-MRXNPFEDSA-N 378.388 0.444 0 1 GCAF biogenic COc1ccc(CCNC(=O)CN2CC(=O)N3CCC[C@@H]3C2=O)cc1OC 6847084 RARDPLCASIMNBG-CQSZACIVSA-N 375.425 0.196 0 1 GCAF NCC(=O)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2 82209947 SEDBHZJZVBSEAC-MRXNPFEDSA-N 391.431 0.970 0 1 GCAF COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N(C)C)O[C@H](CO)[C@H]1O2 95900682 YUNRHRZDARIPJN-QNDNMDDASA-N 378.425 0.744 0 1 GCAF CCS(=O)(=O)N1CC[C@@H](OC)c2ccccc2N(CC(=O)NC)C(=O)C1 299852143 OBAWJTSXZDDFPJ-OAHLLOKOSA-N 383.470 0.509 0 1 GCAF CO[C@@H]1[C@H](C)O[C@@H]2Oc3cc(CO)nc(-c4ccccn4)c3O[C@]2(OC)[C@@H]1O 2356792443 JSOHTDCZLDRGNC-NHXCRNQVSA-N 390.392 0.871 0 1 GCAF C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1cnc2nc(N)[nH]c(=O)c2n1 13474436 CHIWOZCSUNGCCG-JTQLQIEISA-N 398.379 0.653 0 1 GCAF O=C(C[C@@H]1CC[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCc1ccncn1 95797155 YOCRZHXVPNTEOH-ULQDDVLXSA-N 385.424 0.216 0 1 GCAF CC(=O)Nc1ccc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)ccc2c1 2356622821 NEAYHWVHKDPIJA-KCYAQADSSA-N 377.349 0.069 0 1 GCAF COCCNC(=O)[C@H]1CCC[C@H](NC(=O)c2cc(C)on2)CN(C)C(=O)C1 2356731690 WDDCMHNJTNBDMV-KBPBESRZSA-N 380.445 0.493 0 1 GCAF CCOC(=O)C(C)=CCC[C@H](C)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356752448 QMKDCNIWPRUZMS-VLABNDLJSA-N 376.446 0.119 0 1 GCAF Oc1ccc(CCc2ccc(O)cc2O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 14860085 QKHHOTYFRWNZNT-NQYYFHDYSA-N 378.377 0.406 0 1 GCAF biogenic CN1CCN(C(=O)[C@@H]2CCC[C@H](NCc3cccnc3)CN(C)C(=O)C2)CC1 2356332414 DAKZMEFSXPOYNX-MOPGFXCFSA-N 387.528 0.962 0 1 GCAF NCc1cn(C[C@@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 2356816147 CYHAGKWATHPICO-PVAVHDDUSA-N 398.467 0.492 0 1 GCAF Cn1c(=O)c2c(ncn2COC(=O)c2cccc(Cn3ccnc3)c2)n(C)c1=O 26506179 QOHUQLUIBJEOIV-UHFFFAOYSA-N 394.391 0.493 0 1 GCAF CN(C)c1cccc(C(=O)N2CCCN(c3cc(=O)n(C)c(=O)n3C)CC2)c1 65024284 RHPWZQJWQKPQFI-UHFFFAOYSA-N 385.468 0.503 0 1 GCAF CC(=O)Nc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@@H](c1ccccc1)CN2 82210022 KVNDWZMQBSIMPM-OAHLLOKOSA-N 397.435 0.606 0 1 GCAF COc1nsnc1OCCOCCOCCOc1nsnc1OC 103261344 YXGBUKFIWOYPQA-UHFFFAOYSA-N 378.432 0.898 0 1 GCAF COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@@H]2N=C(C(C)=O)[C@H]3[C@@H]2CO[C@@H]1[C@@H]3O 137135068 XTCNHYCPNSGXRX-PXUXMEPPSA-N 386.404 0.649 0 1 GCAF C[C@H](O)[C@H](O)[C@@H](O)[C@@]1(CO)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614572 CQJJDCQMVDMYJG-LIVBMKBDSA-N 376.361 0.188 0 1 GCAF CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NS(C)(=O)=O)CO[C@H]23)cc1 4235834 ILURWSAZJACKTF-GBJTYRQASA-N 384.410 0.522 0 1 GCAF biogenic C=C1C(=O)O[C@@H]2/C=C(/CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 33913435 LJFIVFJQZWRSAJ-FRFZLARZSA-N 394.420 0.513 0 1 GCAF biogenic O=C(Cc1ccccc1)N[C@@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@H]1CO 95675642 CLBFLRMDTNZFIM-KURKYZTESA-N 376.453 0.503 0 1 GCAF CNC[C@@H]1Oc2c(NS(C)(=O)=O)cccc2C(=O)N([C@H](C)CO)C[C@H]1C 95838001 LGRRTQSZVWVNJQ-JMSVASOKSA-N 385.486 0.498 0 1 GCAF CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CCOCC2)O1 95885551 LGGFTYBQIURINE-ZJPYXAASSA-N 398.500 0.465 0 1 GCAF CN(C(=O)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 198017309 GTEDDTCTGWKBMH-GJBLVYBDSA-N 381.410 0.370 0 1 GCAF C[C@]1(O)C[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1 1772605264 OSIZUMONRUBHFM-XVDXERDNSA-N 383.456 0.628 0 1 GCAF Cn1ccnc1CNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3CCCC3)[C@@H](O)[C@H]2O1 2356293151 DAVAHLWLEJTOQQ-JCEKIRTPSA-N 378.473 0.244 0 1 GCAF CC(C)(C)CC(=O)NC[C@@H]1OC[C@@H](N(Cc2cnc[nH]2)Cc2cnc[nH]2)[C@@H]1O 2356402661 MXNBULIPGVBDMX-RYRKJORJSA-N 390.488 0.816 0 1 GCAF O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)C2)cc1/C=C/I 27637467 IVPBYJXSUIEMOB-CTNBOOGPSA-N 378.166 0.247 0 1 GCAF CCNC(=O)[C@H]1O[C@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@@H](O)[C@@H]1O 29411924 KKOVVDNJUPCRKX-NUXNZHGMSA-N 390.444 0.326 0 1 GCAF COC(=O)[C@H](CC(N)=O)N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2C1(C)C 40917781 KBIXJIBUJFGQGD-HOTGVXAUSA-N 384.436 0.890 0 1 GCAF CC(C)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O 82235440 YPWCQVUPJZKIRM-GOSISDBHSA-N 388.468 0.554 0 1 GCAF OC[C@H]1O[C@H](Oc2ccc(C=Cc3cc(O)cc(O)c3)cc2)[C@@H](O)[C@H](O)[C@H]1O 2356596763 RUOKEYJFAJITAG-RMMWZPCPSA-N 390.388 0.447 0 1 GCAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@@H](NC(=O)c4ccc(OC)cc4)CO[C@@H]32)nn1 2356868721 XEYDHSPDICDMRT-ZJIFWQFVSA-N 388.380 0.211 0 1 GCAF O=C1N[C@H](Cc2ccc(F)cc2)C(=O)N2CCN(C(=O)c3cccnc3)C[C@@H]12 25415140 HTVFCURRXRRWQZ-SJORKVTESA-N 382.395 0.615 0 1 GCAF biogenic CC(=O)NC[C@H]1CN(c2ccc(N3CCCNS3(=O)=O)c(F)c2)C(=O)O1 40980030 RTJJOJMFSPZMRZ-LBPRGKRZSA-N 386.405 0.332 0 1 GCAF COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 95668770 UZFJFNKESOAZMD-ZENOOKHLSA-N 383.242 0.593 0 1 GCAF NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 195458332 NLFLKHLVEJCFTP-RPVFDAQASA-N 375.406 0.080 0 1 GCAF O=C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(c1ccccc1)c1ccccc1 200154069 QCADQIHNSJRKAF-GHHWKCCRSA-N 388.372 0.254 0 1 GCAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](O)[C@@H](CO)O[C@H]2O)N1 587847014 FHIYRMXGBOLHIQ-JRZKPGHWSA-N 376.222 0.778 0 1 GCAF Cn1cccc1C(=O)N1CCN2C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@H]2C1 2356820053 FHRZWLGIRLORDQ-NVXWUHKLSA-N 384.411 0.558 0 1 GCAF CCO[C@]1(C)O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2O1 1317972 ULBLUAFHNLHIND-RDGWLKQMSA-N 376.358 0.263 0 1 GCAF CC(C)=CCc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 34293023 JXJVEFKMRYWWHW-XIKSMUEASA-N 392.404 0.480 0 1 GCAF CCC(CC)Nc1ncnc2c1ncn2[C@H]1O[C@@H](C(=O)NC(C)C)[C@@H](O)[C@H]1O 36272811 WPNYHTHRKZZXST-LWGWVAHUSA-N 392.460 0.571 0 1 GCAF CC(C)NC(=O)[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1CCOc1ccccc1 199238038 BUOBQKUNQHQFLL-SFHVURJKSA-N 397.497 0.453 0 3 GCAF OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)cc3)c2)[C@@H](O)[C@@H](O)[C@@H]1O 15112479 HSTZMXCBWJGKHG-RCFRQGPLSA-N 390.388 0.447 0 1 GCAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O 36273185 RIRGCFBBHQEQQH-JRIORXAOSA-N 385.424 0.481 0 1 GCAF C[C@H](N)C(=O)OCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 84690747 AFTGKEHBIKPLDE-NSHDSACASA-N 385.398 0.190 0 1 GCAF N=C1NC(=O)/C(=C/c2c[nH]c(=O)c(-c3ccc(S(N)(=O)=O)cc3)c2)S1 95755620 AKQSFWJQNSLDLB-SDQBBNPISA-N 376.419 0.828 0 1 GCAF C/C=C(\C)C(=O)O[C@H]1C[C@H](O)[C@@]2(C)C[C@H]3[C@@H](C[C@@H](C)[C@H]12)OC(=O)[C@@]3(O)CO 238743376 GNFIFVXADUGFIS-HPXAHJFOSA-N 382.453 0.946 0 1 GCAF CN(C)Cc1cn([C@@H]2CO[C@@H]3[C@@H](OC(=O)NCc4ccccc4)CO[C@H]32)nn1 25419222 AJLJGETYHJJNGT-VSZNYVQBSA-N 387.440 0.973 0 1 GCAF biogenic CN(C)c1ncnc2c1c(-c1ccsc1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 103250639 LHPXUVHOLRZOIS-LSCFUAHRSA-N 376.438 0.837 0 1 GCAF COCCNC(=O)[C@@H]1O[C@H](CCN2CCN(c3ccccc3)CC2)CC[C@@H]1O 2356301193 XMPSHKUYSZHTKL-SLFFLAALSA-N 391.512 0.870 0 1 GCAF CC1(C)S[C@@H]2[C@@H](NC(=O)C34C[C@H]5C[C@@H](CC(N)(C5)C3)C4)C(=O)N2[C@@H]1C(=O)O 2356700571 AZGNYRUNQKZSJQ-SUDNGEHASA-N 393.509 0.916 0 1 GCAF O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](CO)C2)cc1/C=C/I 27637462 IVPBYJXSUIEMOB-MOFNKJLISA-N 378.166 0.247 0 1 GCAF COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(C(=N)N)c2)cc1OC 95566014 INMKACAQENKUAH-UHFFFAOYSA-N 392.437 0.905 0 1 GCAF O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1C(=O)CC1CC1 95879219 IIAAYFBRHZZOFN-XWYPRVOQSA-N 385.464 0.665 0 1 GCAF O=C(CCN1CCCCC1)NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1 95903740 HDMJUGRTWFBQSU-SQNIBIBYSA-N 381.517 0.803 0 1 GCAF C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605576 BEKFJEHPEIOIAV-OZIGJLPGSA-N 376.361 0.186 0 1 GCAF OC[C@@H]1O[C@H](c2c(O)cc(O)cc2C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O 2356707161 ISYJYFWUXHMCFY-AEEMCCEDSA-N 390.388 0.489 0 1 GCAF CN(C)CCN1CCN([C@@H]2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1 96021098 PAGJAWSWJAINIA-GOSISDBHSA-N 384.521 0.519 0 3 GCAF CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O 13581528 QWLIXQAEMNLCQR-XSLAGTTESA-N 386.496 0.924 0 1 GCAF COc1ccc(CC(=O)N2CCN(C(C)=O)C[C@@H]2CN2CC[C@@H](O)C2)cc1 26282791 KPROYTOCROSGBH-ZWKOTPCHSA-N 375.469 0.364 0 1 GCAF CCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CCN(C)CC3)ccc2c1=O 28642099 UWRKEVKNDXQXNC-UHFFFAOYSA-N 387.484 0.467 0 1 GCAF CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)NCCC(C)C)[C@@H](O)[C@@H]1O 40939912 VWDBSJRMLYGOFR-USXUVBGUSA-N 398.851 0.303 0 1 GCAF CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)nn1 49034623 NHELMIDNJBAZJD-FQBWVUSXSA-N 394.855 0.798 0 1 GCAF Nc1ncnc2cc3c(cc12)ncn3[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1 58638818 UFFSWZZTZZDDDX-YNEHKIRRSA-N 381.285 0.319 0 1 GCAF in-vitro CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CC(=O)O)c3c2F)CC1 103200794 ZRZBQHKDAUFHBC-UHFFFAOYSA-N 381.335 0.814 0 1 GCAF NC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1 113491501 YTVFDUBYOHFAKS-QZTJIDSGSA-N 393.443 0.960 0 1 GCAF CC(=O)Nc1cccnc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 218918417 RRENIORZXFZDCL-GOSISDBHSA-N 398.463 0.954 0 1 GCAF CC(=O)Nc1cnccc1[C@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963207526 QYKBYHLDSZOGCL-ZOBUZTSGSA-N 380.408 0.610 0 1 GCAF CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H]3C1=O 13132201 TXCXCZBYPFXTDE-WVSUBDOOSA-N 388.395 0.787 0 3 GCAF Cn1c(=O)c2c(nc(O)n2CCCN2CCN(c3ccccc3)CC2)n(C)c1=O 28652778 NGMZQZCRQLEVTJ-UHFFFAOYSA-N 398.467 0.352 0 1 GCAF CN(C)CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2CC1CC1 95881463 FYGCWFQCJMSVAD-BEKAIBRUSA-N 388.512 0.290 0 1 GCAF CC(=O)CC(=O)NCCNC(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587385841 FGXIUPLEKZEWSZ-IBGZPJMESA-N 375.425 0.903 0 1 GCAF O=C(O)CNC(=O)c1c(O)c2c(n(Cc3cc(F)c(F)cc3F)c1=O)COC2 1857562432 LGUYPCRXJIHSNZ-UHFFFAOYSA-N 398.293 0.864 0 1 GCAF CC(=O)[C@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)[C@@H](O)[C@]12C 2356594182 LJLXEAWGZFDUAP-NHOWAZTHSA-N 380.481 0.687 0 1 GCAF C[C@H]1C(CN2c3ccccc3CS2(=O)=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 3982669 RZBPPCGBJUUJTE-UNNXFLIFSA-N 392.433 0.533 0 1 GCAF CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 13490369 PPZLXFVYHZKNSI-DAYGRLMNSA-N 389.408 0.682 0 1 GCAF CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1 95885105 OSTXBBBXOSEBLK-VQHPVUNQSA-N 377.441 0.357 0 1 GCAF C[C@@H]1CO[C@@H]2C[C@@]34[C@@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@]4(C(=O)O5)[C@@]12O 169360470 ODJBPMBBULFPKZ-PJUWTDDPSA-N 394.420 0.133 0 1 GCAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)O[C@H]([C@@H](O)CO)C2=O 587843000 RKTHZVWKCKESLR-GPXACJRVSA-N 388.189 0.165 0 1 GCAF CN(c1ncnc2[nH]ccc12)[C@H]1CN(S(=O)(=O)N2CCOCC2)CC12CC2 1857651373 QOUNQBWBLJJNBW-AWEZNQCLSA-N 392.485 0.436 0 1 GCAF Cc1cc(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)CC2 1857757369 VSVQPLIGJXQIFP-BDHVOXNPSA-N 386.444 0.905 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3ccccc3C)[C@@H](O)[C@H]2O1 2356323810 DRWXKPWLIHMQNK-OIGVQNGMSA-N 378.469 0.523 0 1 GCAF CC(C)NC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NC3CCCCC3)[C@H](O)[C@@H]2O1 2356678098 RTJSIICNDLHPBO-ONMISFSYSA-N 383.489 0.819 0 1 GCAF CCC(=O)OCC1=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)[C@@H]2S(=O)(=O)C1 27995741 PQQHLPWCKPMRML-FGLWMGOFSA-N 392.389 0.354 0 1 GCAF COc1ccc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)ccc2c1 253770484 GFSIFEXCCUQDFW-UJWQCDCRSA-N 377.393 0.171 0 1 GCAF Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@@H](NCc3cccnc3)[C@H]2O)cc1 2356286832 ALUMZSNAEQXVDR-FGTMMUONSA-N 377.466 0.586 0 1 GCAF CCCS(=O)(=O)N1CC2(CN(C(=O)c3ccccc3)C[C@H]3COCCN32)C1 2356629334 ACCBWNWEYVTALC-KRWDZBQOSA-N 393.509 0.637 0 1 GCAF CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NCCc2ccccc2)[C@@H]3C1=O 4991806 WEIBKKGWMUCHNS-LNNXQNCSSA-N 384.432 0.690 0 3 GCAF O=C(O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)[C@H](O)Cc1ccc(O)c(O)c1 13431700 VTSYCUCOACFUEN-CVEARBPZSA-N 378.333 0.652 0 1 GCAF biogenic CO[C@@H]1C[C@@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)N(C)C1 14979211 PZJGDNRDXHDJEG-KGLIPLIRSA-N 390.415 0.947 0 1 GCAF CSCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)O 27745674 RJVZMGQMJOQIAX-HUUCEWRRSA-N 392.481 0.476 0 1 GCAF CC(=O)OC[C@@H]1C[C@H](OC(C)=O)[C@@H](n2cc(Br)c(=O)[nH]c2=O)C1 29392057 FYHUGDOHZFPYND-DLOVCJGASA-N 389.202 0.745 0 1 GCAF NCCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)O 39811133 SWRNSCMUXRLHCR-YESZJQIVSA-N 390.484 0.164 0 1 GCAF biogenic CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CCOCC2)O1 95885443 UCOGFCCFBHACTI-WCXIOVBPSA-N 384.473 0.027 0 1 GCAF COc1ccc2c(c1OC)[C@@]13CCN(C)[C@@]14C[C@@H]2O[C@@]4(O)[C@@H](OC)[C@@H](O)C3 95918759 WOGSBUNWOTVHQN-XTBWBWPPSA-N 377.437 0.959 0 1 GCAF biogenic,in-vitro Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 586946431 XODWMYWLCWPWDD-UHFFFAOYSA-N 384.439 0.828 0 1 GCAF COC(=O)c1cccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 587221887 QZFDMOUKGJZERO-ONGXEEELSA-N 392.368 0.174 0 1 GCAF CCN(CC)C(=O)[C@@H]1S[C@@H]2N[C@H](CSc3nc(N)n[nH]3)NC(=O)[C@@H]2[C@H]1C 618014433 OKBBIUCWXFSXIJ-GPTQDWHKSA-N 399.546 0.087 0 1 GCAF COc1c2c(cc3oc([C@H](O)CCNC(=N)N)cc(=O)c13)O[C@@H](C(C)(C)O)C2 2356294820 ROQYMKZRAFQPBX-MEBBXXQBSA-N 391.424 0.783 0 1 GCAF COc1ccc(Cl)cc1C(=O)NCN(N1CCOCC1)N1CCOCC1 28336259 GJUCOILRKJYOPK-UHFFFAOYSA-N 384.864 0.832 0 1 GCAF COCCNC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 95907843 LSZBVVJSMSSYDQ-HYVNUMGLSA-N 398.481 0.111 0 1 GCAF O=c1nc(CN2CC(Oc3cccnc3)C2)[nH]n2c(C3CCOCC3)ncc12 205453200 QYWRANXKUULQSK-UHFFFAOYSA-N 382.424 0.970 0 1 GCAF Nc1nnc(SCC(=O)N[C@H]2Cc3cccc(C(=O)O)c3OB2O)s1 217037186 IUNQEXJRZWMEMG-QMMMGPOBSA-N 380.216 0.050 0 1 GCAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O 261189049 YKLISMZONDWGDU-XGFPXAKYSA-N 385.424 0.481 0 1 GCAF CC[C@@H](C)c1cc(O)cc(O)c1O[C@H]1O[C@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]1O 2356535547 CKKRFEDAIIVHNY-XBERYTLVSA-N 386.397 0.361 0 1 GCAF COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@H]2c3ccccc3[C@H]1C2(C(C)=O)C(=O)OC 2356844898 NZMOJRGKTYJORD-BYNSBNAKSA-N 388.372 0.777 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O 12405303 APOGEYLZKDMMGQ-XNIJJKJLSA-N 377.788 0.835 0 1 GCAF CCOc1ccc(OCc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)cc1 28364009 VUZPQUYKBQWORS-ARFHVFGLSA-N 378.381 0.155 0 1 GCAF CS(=O)(=O)N[C@@H]1CO[C@H]2[C@@H](n3cc(COc4ccccc4)nn3)CO[C@@H]21 36366755 JTMGAWFDYCHDTP-QXSJWSMHSA-N 380.426 0.114 0 1 GCAF biogenic Cc1cc2c(cc1Cl)S[C@H](c1c(O)[nH]c(=O)[nH]c1=O)NS2(=O)=O 80847724 AXGWKPLCACGGOM-LLVKDONJSA-N 375.815 0.813 0 1 GCAF CN(C)CC(=O)N[C@H]1CC[C@H](CCNC(=O)Nc2ccc(F)cc2)O[C@H]1CO 95676494 HVYAXUQBEQKNPC-IKGGRYGDSA-N 396.463 0.924 0 1 GCAF CS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 95795152 CWJBQADCDQSGJH-OBJOEFQTSA-N 389.271 0.380 0 1 GCAF C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCNC1)CC2 1772589912 ZYEIGCILXAGHKH-RBZFPXEDSA-N 396.499 0.855 0 1 GCAF CN(C[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O)C(=O)c1ccccc1 1857566553 KQWGYGVUFJORGF-OPYAIIAOSA-N 384.432 0.679 0 1 GCAF COc1ccc(C=CC(=O)O[C@@H]2[C@H](C)O[C@H](O)[C@@H](OC(C)=O)[C@@H]2O)cc1OC 2356746330 ONEXBDOPCBANRU-ZSBCPBHGSA-N 396.392 0.659 0 1 GCAF CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC)P(=O)(O)O 3800938 KDEJBQFBTRARSA-MELADBBJSA-N 394.453 0.264 0 1 GCAF C[C@@H](C(=O)O)N1C(=O)[C@@H](NC(=O)Oc2ccc(Cl)cc2)CS1(=O)=O 26189305 VOPPAIAGDKQRIQ-XVKPBYJWSA-N 376.774 0.442 0 1 GCAF CN(NS(C)(=O)=O)S(=O)(=O)c1ccc(I)cc1 26273912 GMNVZPXZJJLLHS-UHFFFAOYSA-N 390.224 0.376 0 1 GCAF C=C1C(/C=C/C(=O)O)=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)[C@H]2S1(=O)=O 27992730 QQYMMFPNJJCTHC-ORKVWHIMSA-N 388.357 0.555 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc32)[C@H](O)[C@@H]1O 40950072 AEOCPQUDPJKEQV-CWJIUAMNSA-N 395.847 0.692 0 1 GCAF O=c1cc(-c2ccccc2)oc2cc(O)cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)c12 59730059 MMVMGMHYSQJGLO-UOWJPWOOSA-N 386.356 0.983 0 1 GCAF CCCCC[C@H](C[C@H](O)NO)[C@H](O)N[C@H](C(C)C)[C@@H](O)N1CCC[C@@H]1CO 253643336 AZKGCXCHQXZSHC-ZBLLQYKHSA-N 391.553 0.578 0 1 GCAF CON1C(=O)[C@]2(C[C@H]3[C@H]4CO[C@H]2C[C@H]4[C@](CO)([C@H](C)O)N3C)c2ccccc21 2356560579 VXXWDIZFWYSBQA-RCXVVROWSA-N 388.464 0.683 0 1 GCAF CCCCC[C@@H](C[C@@H](O)NO)[C@@H](O)N[C@@H](C(C)C)[C@@H](O)N1CCC[C@@H]1CO 27428467 AZKGCXCHQXZSHC-SWAOIJHYSA-N 391.553 0.578 0 1 GCAF CN(C)CCCN1CCN(CCN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)CC1 28524284 HZEKTLNVJWUDTD-FQEVSTJZSA-N 399.539 0.945 0 1 GCAF CNC[C@@H]1Oc2ccc(NS(C)(=O)=O)cc2CC(=O)N([C@@H](C)CO)C[C@@H]1C 95847885 XOTYHNIEAMYTDW-DCGLDWPTSA-N 399.513 0.427 0 1 GCAF N=c1cc(C(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c[nH]1 1857764424 UFLPGOLPDASTON-UHFFFAOYSA-N 393.398 0.957 0 1 GCAF COC[C@@H]1C(=O)[C@]23[C@@H](O)[C@@H]1CC(=O)[C@@H]2[C@@]1(C)CCC[C@@](C)(CO)[C@H]1C[C@H]3O 2356498143 KDEJNCGOUVGNNS-WCSACKOESA-N 380.481 0.954 0 1 GCAF COC(=O)[C@]1(C)N[C@H](CN(C)C(=O)c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 61947135 XIUVJQGNDNVJEG-ZYKCCNLVSA-N 391.399 0.032 0 3 GCAF CN1Cc2cc(C(=O)NCCNc3ncccn3)ccc2N[C@@H](CC(=O)O)C1=O 29483072 SVXIMEOVRDYIFA-HNNXBMFYSA-N 398.423 0.546 0 1 GCAF CC(=O)NC[C@H]1CN(c2ccc3c(c2)S(=O)(=O)C[C@@H]2CCCN32)C(=O)O1 40566973 VVLBFZQSHBPYAN-KBPBESRZSA-N 379.438 0.904 0 1 GCAF O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 299838035 QBHXBGGOGZELFZ-YJNKXOJESA-N 380.422 0.944 0 1 GCAF COc1cc2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2cc1Cl 587218210 HULPVKHTXVKNGR-DTWKUNHWSA-N 398.803 0.529 0 1 GCAF O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 1857622317 ZNWJKOJJZQDPSW-OYNZLANYSA-N 376.361 0.436 0 1 GCAF COCc1cc(C[C@@H]2CC[C@@H](O)[C@H](CNC3CCN(C(C)=O)CC3)O2)no1 2356288045 URRKNWFXTVIEPQ-UHOSZYNNSA-N 381.473 0.873 0 1 GCAF CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccc(OCC(=O)OC)cc1C2=O 13606020 IKHXETONIOBQPR-UHFFFAOYSA-N 389.385 0.975 0 1 GCAF C=CCO[C@@H]1C[C@@H]2C(=O)N3CCN(C(=O)NC4CCCCC4)C[C@H]3C(=O)N2C1 25415033 DODDEGJVXKGJJK-ZACQAIPSSA-N 390.484 0.727 0 1 GCAF biogenic O=C(C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1)NC1CCC1 95903664 RQCGLZCALDVTRY-XIRDDKMYSA-N 398.456 0.847 0 1 GCAF C[C@@H]1CO[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](O)CO[C@@H]6O[C@]4(C(=O)O5)[C@]21O 101080169 QOGPABQRGRYRDW-SDVVGDMJSA-N 380.437 0.607 0 1 GCAF O=C1CS(=O)(=O)C[C@@H]1NN[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21 169691816 OSTWBXOEPNYLBA-YJBOKZPZSA-N 385.445 0.735 0 1 GCAF O=C(O[C@@H]1[C@H](Oc2ccccc2CO)O[C@@H](CO)[C@H](O)[C@H]1O)c1ccccc1 257420834 FWPNCAYVELBDRB-HBWRTXEVSA-N 390.388 0.222 0 1 GCAF NCCOCCOCCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587245548 AUYKEHSELNHFHF-UHFFFAOYSA-N 398.485 0.118 0 1 GCAF O=C(c1ccc(Cl)cc1)N1C[C@H]2COCCN2C2(C1)CN(C1COC1)C2 2356424955 ANFXDSKZTUCIAU-INIZCTEOSA-N 377.872 0.950 0 1 GCAF CC(=O)[C@H]1CC[C@@]2(O)[C@]3(O)CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)[C@@H](O)[C@]12C 2356589756 RADWZEXHCQLYQI-ZWYGBRHRSA-N 380.481 0.687 0 1 GCAF CC(=O)N1CCN(C(=O)Nc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCNC1=O 8295771 ZAGVBDWPBMIXTR-HOTGVXAUSA-N 387.440 0.146 0 1 GCAF biogenic OC[C@@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)[C@@H](O)[C@@H]1O 25995764 FSKMJUWPFLDDRS-INNCSQQASA-N 383.408 0.537 0 1 GCAF O=C(C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1nccs1 95676122 BGYIYMFDHNUKRK-IHRRRGAJSA-N 383.470 0.923 0 1 GCAF COc1cccc(Cn2c(=O)c3c(=O)c4[nH]cc[nH]c4c(=O)c3c2=O)c1OC 137078426 QWEAKMNYXORKGC-UHFFFAOYSA-N 381.344 0.395 0 1 GCAF CCOC(=O)c1cc([C@]2(C)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)n[nH]1 963221432 NTLSPUNUPGLRAZ-WTOJCKNJSA-N 398.423 0.331 0 1 GCAF CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(C2CCCCC2)C(=O)C1 11873013 APESWJCZROQAQL-KRWDZBQOSA-N 378.517 0.836 0 3 GCAF Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCN(c3ncccn3)CC2)o1 55060554 NUUMUEWHBBBWAM-QGZVFWFLSA-N 398.467 0.417 0 3 GCAF C[C@@H]1CCC(NC(=O)[C@@H](N)Cc2nc(-c3ccc(O)cn3)no2)=C(C(=O)O)C1 71341749 VCTNNWHIGASZOC-SKDRFNHKSA-N 387.396 0.982 0 1 GCAF CN1C(=O)N(C)C(=O)C([C@@H]2CC[C@@H]3OC[C@@H]2O3)([C@H]2CC[C@@H]3OC[C@@H]2O3)C1=O 100151301 HVJJWUFDYHBIHK-XNBXPENISA-N 380.397 0.326 0 1 GCAF Cn1cncc1CNc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205020608 PUGGVSYJELKFGJ-QCDXTXTGSA-N 394.399 0.225 0 1 GCAF C[C@H](O)[C@H](O)[C@@H](O)[C@]1(CO)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614573 CQJJDCQMVDMYJG-MIHHQADTSA-N 376.361 0.188 0 1 GCAF Cc1ccc(CN2C(=O)[C@@H]3C[C@H](O)CN3C3(CN(Cc4ccoc4)C3)C2=O)o1 2356290151 KJYVEAMDTBFFAE-RDJZCZTQSA-N 385.420 0.740 0 1 GCAF Cc1ncc(COP(=O)(O)O)c(CN[C@H](CCC(=O)O)C(=O)O)c1O 12501129 JMRKOGDJNHPMHS-SNVBAGLBSA-N 378.274 0.113 0 1 GCAF in-vivo CCOC(=O)NCc1ccc(O[C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1 14444014 VMTHKXYSTHHGCH-BDNDHPQMSA-N 383.397 0.710 0 1 GCAF endogenous,in-man C=C[C@](C)(O)[C@@H](O)C[C@@H](O[C@@H](C[C@@H](O)[C@@](C)(O)C=C)C(C)(C)O)C(C)(C)O 14860269 AFYKJKWLNLIKRG-VFYSCCARSA-N 390.517 0.658 0 1 GCAF biogenic C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H]1O 36272785 HMZVDTCSZNNZJH-GBCNLWKTSA-N 399.407 0.573 0 1 GCAF C[C@@H](O)[C@@H]1C[C@@H](O)CN1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 58598712 ZQXYNGJLSGWMTE-PWZJLYFZSA-N 377.372 0.889 0 1 GCAF O=S1(=O)C[C@H](N2CCN(CC3CC3)CC2)[C@H](COCc2ccccc2)N1 72141109 DMKFWAAYCXYTNT-OALUTQOASA-N 379.526 0.901 0 1 GCAF COC(=O)Cn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@@H](C)CN2 82212454 VYICPFCVJDNDIZ-NSHDSACASA-N 387.396 0.136 0 1 GCAF Cc1c(C(=O)N2CCN(C3CCC3)CC2)nnn1-c1nc(=O)c2cccn2[nH]1 1857614765 UFSRKUIWDYUDNV-UHFFFAOYSA-N 382.428 0.222 0 1 GCAF Cn1cncc1CN1CC2(C1)CN(C(=O)c1ccccc1)C[C@H]1COCCN12 2356289533 WVPOFIQPNNKAIR-IBGZPJMESA-N 381.480 0.831 0 1 GCAF CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@@H]1C(=O)NCCN1CCOCC1 2356293716 JSCSJBSCJXELTF-QZTJIDSGSA-N 380.533 0.594 0 1 GCAF COC[C@@H]1C(=O)[C@]23[C@@H](O)[C@@H]1CC(=O)[C@H]2[C@@]1(C)CCC[C@@](C)(CO)[C@H]1C[C@H]3O 2356498140 KDEJNCGOUVGNNS-LJKMXLQBSA-N 380.481 0.954 0 1 GCAF O=C1N[C@H](CC2CCCCC2)C(=O)N2CCN(C(=O)[C@H]3CSCN3)C[C@@H]12 2356674556 MXKDAHIRTFOHRR-KFWWJZLASA-N 380.514 0.157 0 1 GCAF Cc1nn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2c(=O)n(-c3ccc(Cl)cc3)cnc12 49792944 CVJGNMLIYYNYJF-CYHLAULCSA-N 392.799 0.156 0 1 GCAF Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)NC2CCOCC2)cc1 73166233 GROYFGJEQOKOAE-MRXNPFEDSA-N 393.465 0.641 0 1 GCAF O=C(N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO)c1ccncc1 95676275 ZAWCCEHPCRSVNF-OKZBNKHCSA-N 391.468 0.653 0 1 GCAF O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1)c1cnccn1 95903345 GFEYRJOTZRKGCS-HLLBOEOZSA-N 376.457 0.811 0 1 GCAF CC1(C)S[C@@H]2[C@@H](NC(=O)[C@H](N)c3ccc4c(c3)CCO4)C(=O)N2[C@@H]1C(=O)O 169307691 COYRKOYHQSMYGA-OQMKEHIESA-N 391.449 0.253 0 1 GCAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(N)ncc3[nH]2)[C@H](C)O)cc1 586938791 XUJIOPLVCRFWRC-VFZGTOFNSA-N 377.426 0.949 0 1 GCAF C[C@H](O)[C@](C)(O)C(=O)OC[C@@H]1CCN2CC[C@@H](OC(=O)Cc3ccccc3)[C@@H]12 14556518 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CNC(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 1772599664 XAUDUCYAIZRLOR-GOSISDBHSA-N 397.475 0.960 0 1 GCAF O=c1[nH]c(O)nc2c1ncn2CCCCC[P@](=O)(O)CP(=O)(O)O 13740783 JFKGLMIUXFMQBQ-UHFFFAOYSA-N 380.234 0.401 0 1 GCAF C[C@@H]1CO[C@H]2C[C@@]34[C@@H]5C[C@@H](C(C)(C)C)[C@@]36[C@@H](O)CO[C@@H]6O[C@]4(C(=O)O5)[C@]21O 101080163 QOGPABQRGRYRDW-UMLVNXMTSA-N 380.437 0.607 0 1 GCAF CCC(=O)[C@]12N[C@H]3C[C@@]4(C(=O)N(OC)c5cc(OC)ccc54)[C@H](OC[C@H]31)[C@@H]2O 238763017 USWBRERBVGYKQZ-JRWGPDJTSA-N 388.420 0.310 0 1 GCAF CC1=C(c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)CN2CCC[C@H]2C1 238771272 QUYDWYUNUYQKBM-OYQCXUJZSA-N 391.464 0.507 0 1 GCAF Cc1cc2c(cc1Cl)S[C@@H](C1C(=O)NC(=O)NC1=O)NS2(=O)=O 3611289 VLEMSTJEJTVXGK-NSHDSACASA-N 375.815 0.341 0 1 GCAF CC1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)[C@@H]2C=C(CO)[C@H](O)[C@@H](O)[C@@H]21 3644900 VXMGWBBELIEFKJ-VGSBGKTFSA-N 388.372 0.426 0 1 GCAF biogenic O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)C3CC3)CN21)NCc1cccs1 15707972 YGBIFCBZMURIJM-LZWOXQAQSA-N 390.509 0.612 0 1 GCAF biogenic NS(=O)(=O)c1ccc(C(=O)O)c(S(=O)(=O)NCCc2ccccc2)c1 230839195 UPBRYTJLOYELEW-UHFFFAOYSA-N 384.435 0.553 0 1 GCAF in-vitro CO[C@H]1[CH][C@@H]2C(=O)[C@@H]3N[CH][CH][C@H]4[C@H]3[C@H]([C@H]3OCO[C@@H]3[C@@H]4OC)[C@H]2[C@H](OC)[CH]1 255218230 HQJGDOWNUGRTFJ-HTSBBAIPSA-N 377.437 0.210 0 1 GCAF O=C(NCc1ccccc1F)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 6894341 AEBWNVSEVBMHIT-HNNXBMFYSA-N 385.461 0.731 0 3 GCAF O=S1(=O)C[C@@H](N2CC=CC2)CN1Cc1cn(Cc2ccc(F)cc2)nn1 199211863 NRCKGSVLIHFJQJ-KRWDZBQOSA-N 377.445 0.851 0 3 GCAF C[C@@]1(O)[C@@H](O)[C@H](CO)O[C@@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21 8586470 MMPAUXMIDJWGFO-DCPBINMLSA-N 383.836 0.836 0 1 GCAF COC(=O)C[C@H](CN(C)C)NC(=O)C[C@H]1CC(c2ccc(C(=N)N)cc2)=NO1 26179949 MVYHKVSHUPHBLC-HUUCEWRRSA-N 389.456 0.463 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(N[C@@H]4CCCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 48995474 DXHLGWYQWDVEAA-SODDHMGDSA-N 397.435 0.927 0 1 GCAF C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O[C@H]1CN(C)C 95862373 MWWZDVMRDUNHCF-DCGLDWPTSA-N 399.513 0.840 0 1 GCAF O=c1nc(NC2CCC2)[nH]c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1ccccn1 205762806 JAEIDRGPEOYBQL-NMFKLSHFSA-N 387.440 0.311 0 1 GCAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587202023 AOSQKJMLZLFOIF-GFCCVEGCSA-N 395.485 0.892 0 1 GCAF CC[C@H](C)c1cc(O)cc(O)c1O[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]1O 2356535545 CKKRFEDAIIVHNY-JBXSFSCUSA-N 386.397 0.361 0 1 GCAF O=C(C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCc1ccncc1 95664176 GKLMDXAFJCNXRK-FGTMMUONSA-N 391.468 0.539 0 3 GCAF COc1cc2c(cc1OC)[C@]1(O)C(=O)c3c(O)cc(O)cc3O[C@H]1[C@@H](O)O2 14928797 PYIMOMJIHXEJKY-BZSNNMDCSA-N 376.317 0.657 0 1 GCAF biogenic O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCc1ccncc1 95676227 ZNNAKNJWDLOPKK-KZNAEPCWSA-N 389.452 0.315 0 1 GCAF CN1CCN(C(=O)C[C@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3CC3CC3)O2)CC1 95884926 PGGJSCYCRKXAAF-MANSERQUSA-N 381.517 0.170 0 1 GCAF CC(=O)O[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12)C(C)C 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384.439 0.032 0 1 GCAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NS(C)(=O)=O)c2O[C@@H]1CN(C)C 95850459 NGOQGDZIZPAXSN-XJKCOSOUSA-N 399.513 0.840 0 1 GCAF COC(=O)[C@H]1/C(=C2/C[C@H](CI)OC2=O)O[C@@H]2CC(=O)N21 205377129 VZTMHDMZOMWRDY-LZVHVSPESA-N 393.133 0.121 0 1 GCAF C[C@@H]1C=C[C@@H]2CCCC[C@@H]2[C@H]1C(=O)[C@]1(O)C(=O)N2CC[C@H]3C(=O)O[C@@H]1[C@]32O 238768374 KLMKJHCIYAUNNL-AJXTYSGGSA-N 375.421 0.391 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)OCO3 587218508 HEKSLIFCJFNCAI-SFYZADRCSA-N 378.341 0.116 0 1 GCAF CNC(=O)[C@H](C1CCCCC1)N1CCC[C@@H]1C(=O)N1CCN(CCOC)CC1 2356298781 AOOWQADRATUIKN-MOPGFXCFSA-N 394.560 0.936 0 1 GCAF CC1=C([C@H](C)CO)C[C@@]2(O)[C@]1(O)[C@]13OC(=O)C[C@@]2(C)[C@@]1(O)CC[C@@H](C)[C@H]3O 257601052 WIFHAKQJYHVTQK-RQCIQDAOSA-N 382.453 0.025 0 1 GCAF endogenous,in-man O=C(N[C@@H]1CCN2C(=O)[C@@H]3[C@H](OCC4CC4)CCN3C(=O)[C@H]12)c1cccs1 2356872029 YOAOTRRBQMURFP-VDERGJSUSA-N 389.477 0.857 0 1 GCAF CCc1nc(C(=O)N2CCC[C@@H]2C(=O)OCCN(CCN)CCO)cs1 82072825 DESMPSRVMLMCPX-CQSZACIVSA-N 384.502 0.106 0 1 GCAF O=C(C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCc1ccncc1 95794248 GKLMDXAFJCNXRK-KZNAEPCWSA-N 391.468 0.539 0 1 GCAF CCOc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 146019748 PKEBCPIHEMJZIG-UHFFFAOYSA-N 387.484 0.943 0 1 GCAF CN1C(=O)N(CCCCc2ccc3c(O)nc(O)nc3n2)C(=O)[C@H]2[C@H]1N=CN2C 587558956 VNLIZAMUDCNJCA-OCCSQVGLSA-N 399.411 0.321 0 1 GCAF O=C(OC[C@H]1O[C@H](Oc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 1857622316 ZNWJKOJJZQDPSW-BCDMZGRMSA-N 376.361 0.436 0 1 GCAF COc1ccccc1C(=O)N1CCN2[C@H](C1)CN(S(C)(=O)=O)CC2(C)C 2356302818 CUMTVHKMOOQNPN-CQSZACIVSA-N 381.498 0.875 0 1 GCAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N)c3ccc4c(c3)CCO4)[C@@H]2SC1 27327714 YWNGHNYMFUOGEL-AHIWAGSCSA-N 389.433 0.380 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(Nc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O 49031524 APOGEYLZKDMMGQ-VSBTWAGUSA-N 377.788 0.835 0 1 GCAF O=C(CO[C@@H]1CO[C@@H]2[C@@H](NCc3ccccn3)CO[C@H]12)OCc1ccccn1 67902092 VJGQLKAOHSQPJA-ONCXSQPRSA-N 385.420 0.861 0 1 GCAF biogenic O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCCc1ccncc1 95907688 RUCVOXWJWAJZCT-OTWHNJEPSA-N 398.463 0.864 0 1 GCAF COc1ccc(OC)c(Cn2c(=O)c3c(=O)c4[nH]cc[nH]c4c(=O)c3c2=O)c1 137078521 GJRRLWFLZLRXBE-UHFFFAOYSA-N 381.344 0.395 0 1 GCAF COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NN1CCOCC1 299823087 SCPYANGFILNQRM-UHFFFAOYSA-N 375.385 0.656 0 1 GCAF O=C(O)CCNS(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587563407 SMGKUESOYHPRGK-UHFFFAOYSA-N 390.377 0.856 0 1 GCAF CS(=O)(=O)c1ccc(OC[C@@H]2C[C@H](NC3CCOCC3)[C@@H](O)[C@H]2O)cc1 2356293237 FAVNRBCWGRDFBB-GYIHYUDTSA-N 385.482 0.348 0 1 GCAF CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)N2CCNC(=O)C2)CC1 13659317 VOVBWGFSFMTTII-UHFFFAOYSA-N 381.454 0.061 0 3 GCAF CC(C)NC(=O)N[C@H]1CCN(C(=O)CC(C)(C)C)[C@H]1C(=O)N(C)CC(N)=O 25170807 CNJNALGFQLMBOC-SWLSCSKDSA-N 383.493 0.043 0 1 GCAF biogenic C[C@@H]1CN(C(=O)c2ccn(C)n2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 28826910 DYNYBLGPTLDVGR-GFCCVEGCSA-N 388.453 0.832 0 1 GCAF CC(C)(C)c1ccc2nc(C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2n1 587218438 GRJORTBLHBWADH-ONGXEEELSA-N 391.428 0.559 0 1 GCAF O=C(O)CNC(=O)c1c(O)c2cccc3c2n(c1=O)[C@H](c1cncs1)CO3 1857545393 LUKFRKCXECDSCL-VIFPVBQESA-N 387.373 0.960 0 1 GCAF CC[C@@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)[C@@H]1OC(C)=O)[C@@H]23 2356528482 XIYZMOFCMDIBKI-HHCIWDGBSA-N 395.452 0.814 0 1 GCAF COc1ccc(-n2c(O)cc(=O)nc2SCC(=O)N2CCOCC2)cc1 101809227 MKRJQYUYJFUMJY-UHFFFAOYSA-N 377.422 0.898 0 3 GCAF OC[C@H]1O[C@@H](Oc2ccc(/C=C\c3cc(O)cc(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O 34884073 RUOKEYJFAJITAG-BUFXCDORSA-N 390.388 0.447 0 1 GCAF biogenic,in-vitro COc1ccc(CNC(=O)C[C@@H]2CC[C@@H](NC(=O)CN(C)C)[C@@H](CO)O2)cc1 95676077 AFXALTHXBUYGQN-RCCFBDPRSA-N 393.484 0.288 0 1 GCAF CN(C)CC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccccc2F)O[C@H]1CO 95907049 JPCYXULXKAYANI-XIRDDKMYSA-N 379.432 0.194 0 1 GCAF C[C@H](O)[C@]1(O)CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C 95910418 PJDRPKPUOVBEGQ-SWWUKBNISA-N 382.497 0.479 0 1 GCAF CCOC(=O)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]2O)cc1 257567678 VMTHKXYSTHHGCH-LTDQNJCQSA-N 383.397 0.710 0 1 GCAF endogenous,in-man COc1ccc(S(=O)(=O)N[C@@H](c2nc3cnnc(O)c3[nH]2)[C@H](C)O)cc1 586934681 HYMFLLKIHGIYFL-QPUJVOFHSA-N 379.398 0.468 0 1 GCAF Cc1ccc(S(=O)(=O)N(C(=N)N)c2nc(N(C)C)nc(N(C)C)n2)cc1 6133843 CENHADGTOAKQJJ-UHFFFAOYSA-N 378.462 0.401 0 3 GCAF CN1Cc2cc(C(=O)NCCc3cccc(N)n3)ccc2N[C@@H](CC(=O)O)C1=O 29476030 FCNBQKCLVVOYGU-INIZCTEOSA-N 397.435 0.864 0 1 GCAF O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccncn1 95676110 JMJYAJMXQVZTFW-RCCFBDPRSA-N 382.420 0.597 0 1 GCAF COc1ccccc1CNC(=O)C[C@H]1C=C[C@@H](NC(=O)CN(C)C)[C@@H](CO)O1 95678141 YJKUDHPPBXQQCK-JFIYKMOQSA-N 391.468 0.064 0 1 GCAF CC1(C)S[C@@H]2[C@H](NC(=O)C34C[C@H]5C[C@@H](CC(N)(C5)C3)C4)C(=O)N2[C@H]1C(=O)O 100369935 AZGNYRUNQKZSJQ-MMCHAPDJSA-N 393.509 0.916 0 1 GCAF in-man O=C(O)CNC(=O)c1c(O)c2c(n(CC3Cc4ccccc4C3)c1=O)COC2 103265045 CINVDLHZDYVPKW-UHFFFAOYSA-N 384.388 0.814 0 1 GCAF CSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C)cc1 118440662 YDUBQUANDNHHKO-QFXBJFAPSA-N 396.465 0.210 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(F)cnc(Cl)c2[nH]1 587218100 FFGXJJHQJGPAGW-NKWVEPMBSA-N 387.755 0.575 0 1 GCAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H]1O 49113137 HMZVDTCSZNNZJH-DAVHBLCHSA-N 399.407 0.573 0 1 GCAF COc1ccc(-c2cc3c([nH]2)C(=O)NCC/C3=C2/NC(N)=NC2=O)cc1OC 82155613 FWOPNZXELLFNIM-GDNBJRDFSA-N 381.392 0.988 0 1 GCAF COCOCCNC(=O)Cc1c(C)c2cc(OC)c(O)c(C=O)c2oc1=O 164914291 CICDDBIVDQNOMD-UHFFFAOYSA-N 379.365 0.907 0 1 GCAF COc1ccc(S(=O)(=O)N[C@H](c2nc3c(O)ncnc3[nH]2)[C@H](C)O)cc1 586935135 JTGAFQWOUDOAPM-KWQFWETISA-N 379.398 0.468 0 1 GCAF O=C(O)C1=C(Br)CS(=O)(=O)[C@@H]2/C(=C\c3ccccn3)C(=O)N12 13442990 SQSSBVXWNURBGY-VVEJJEBESA-N 385.195 0.753 0 1 GCAF O=c1ccn([C@@H]2O[C@H](CO)[C@H](OC3Sc4ccccc4S3)[C@@H]2O)c(=O)[nH]1 28458751 CNKLBRJFEZUKPE-DGJRKYIQSA-N 396.446 0.354 0 1 GCAF CC(=O)N1[C@H](C(=O)NCc2ccccc2F)[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]21 95881869 JQQHJAYFWCMULB-QPAVJXABSA-N 399.422 0.814 0 1 GCAF CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CCOCC2)O1 95885437 UCOGFCCFBHACTI-HZMVEIRTSA-N 384.473 0.027 0 1 GCAF C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605572 BEKFJEHPEIOIAV-GZSPCVBLSA-N 376.361 0.186 0 1 GCAF COC(=O)[C@H](CCSC)NC(=O)CNc1nc(NC(C)=O)[nH]c2ncnc1-2 653878828 WGRRUAOAPUFISZ-VIFPVBQESA-N 395.445 0.086 0 1 GCAF CCCCN1C(=O)[C@@H]2C[C@H](O)CN2C2(CN(Cc3cccc(OC)c3)C2)C1=O 2356511046 VXSZLKSCQPFQRS-WMZOPIPTSA-N 387.480 0.854 0 1 GCAF CC(=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@@H]12)CO 2356574938 UKPSUWZPUAENNH-HUOQQOJOSA-N 397.468 0.162 0 1 GCAF CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)cc1 5458058 UNDMIJOXJYGGOU-RBDSIQFVSA-N 378.406 0.973 0 1 GCAF CN(C)CCCNC(=O)C[C@H]1CC[C@H](NC(=O)c2ccccc2F)[C@@H](CO)O1 95676013 RNBICINZPSPKFD-FHLIZLRMSA-N 395.475 0.922 0 1 GCAF O=C(NC1CCCCC1)N[C@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO 95678445 RNIDAHWWXILMTD-ULQDDVLXSA-N 381.473 0.552 0 1 GCAF CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 205313842 KYEAJBCDOXSFNK-IBRFOTIVSA-N 392.235 0.577 0 1 GCAF Cc1ccc(C(=O)CC(=O)O[C@H](C)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 1857651559 SWNLFGCBWRARSV-CYBMUJFWSA-N 398.419 0.947 0 1 GCAF CC=C(C)C(=O)OC[C@H]1O[C@@H](OC(=O)CC(C)C)[C@@H](OC(C)=O)[C@H](O)[C@H]1O 2356566934 ZVDNZOPNPKISRN-GHVFGFPKSA-N 388.413 0.464 0 1 GCAF Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@H](NC3CCN(C)CC3)[C@@H]2O)cc1 2356628946 LTJSDSPDILAKBO-BZSNNMDCSA-N 383.514 0.085 0 1 GCAF CCOC(=O)[C@H](SCCO)[C@@H](C(=O)OCC)n1cnc2c(N)ncnc21 1647380 VWIROSQJACUKSW-WDEREUQCSA-N 383.430 0.170 0 1 GCAF C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 5832064 LJFIVFJQZWRSAJ-MEACGSKNSA-N 394.420 0.513 0 1 GCAF CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)NCc2cccs2)[C@@H]3C1=O 102017476 HPMUTBVLALCMHC-KDQZPGIASA-N 376.434 0.709 0 1 GCAF CCOC(=O)N1CCC(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)CC1 195360646 JRKZFRRAYVKIKE-OMNBBPDLSA-N 389.452 0.921 0 1 GCAF CN1CCN(C[C@H]2CN3CC[C@H]2C[C@H]3CNS(=O)(=O)c2cccs2)CC1 2356329860 AKMMTBTUVVSESP-ULQDDVLXSA-N 398.598 0.984 0 1 GCAF C[C@@H](O)CC[C@H]1[C@H](C)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356401105 SWEFBSBXBXTOAX-FOLWHAOASA-N 376.490 0.405 0 1 GCAF O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O)c1ccccc1 14855594 ZNWJKOJJZQDPSW-DIKXUDHVSA-N 376.361 0.436 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(NCCC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O 49054941 HIKMUNQOYRAAQE-DRRHNWJESA-N 377.445 0.820 0 1 GCAF COC(=S)NCc1ccc(O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]2O)cc1 58581220 HMXLIRAHSHWREJ-QOYUQHOESA-N 385.438 0.485 0 1 GCAF endogenous,in-man COC(=O)Cn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@H](C)CN2 82212451 VYICPFCVJDNDIZ-LLVKDONJSA-N 387.396 0.136 0 1 GCAF C[C@H]1C[C@]2(C)O[C@]1(O)[C@H]1C(=O)O[C@@]34C[C@@H](C)[C@]5(C)O[C@]13[C@H](C[C@H]4[C@H]5O)C2=O 2356340967 CHADCZMFKCJUSP-OIKCTZPMSA-N 378.421 0.549 0 1 GCAF Cc1ccc(CN2C(=O)[C@@H]3C[C@H](O)CN3C3(CN(Cc4ccccn4)C3)C2=O)o1 2356711842 BXTWAMJEMRAYGZ-WMZOPIPTSA-N 396.447 0.542 0 1 GCAF COC1=C2C=CO[C]2Nc2c1ccc(O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O)c2OC 2356809483 MZOYEYGOBMSOLD-MGLARSPCSA-N 392.384 0.718 0 1 GCAF C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 768372 RHBYTRBWIACMDW-QILLFSRXSA-N 384.436 0.774 0 1 GCAF Cc1noc2ncnc(N3CCC(C(=O)NCCN4CCN(C)CC4)CC3)c12 20944902 ANOFIFLPDGVGJY-UHFFFAOYSA-N 387.488 0.506 0 1 GCAF CC1(C)O[C@H]2[C@H](COC[C@H](O)CN3CCCC3)O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 26979036 VBQPGZKCLGMWGO-UTQGOSHXSA-N 387.473 0.856 0 1 GCAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C(F)(F)F)C(=O)O 27322968 ZSMNBWFERVDOGA-NXEZZACHSA-N 376.287 0.019 0 1 GCAF CO[C@@H]1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O 96174791 IKPSHISOVRXADL-MWCGGFADSA-N 387.432 0.389 0 1 GCAF C[C@@H]1C[C@@H](O)[C@@]2(CO)C(CO)=C[C@@H](O)C[C@@H]2[C@@]12C[C@@H](c1ccoc1)OC2=O 103292188 GPCCAACYXZNGCX-QPMVFHCKSA-N 378.421 0.933 0 1 GCAF NC(=O)/C=C/C1=C(C(=O)O)N2C(=O)/C(=C/c3cccs3)[C@@H]2S(=O)(=O)C1 27995752 KPFKAVUJMJCDNV-UGHLXDDFSA-N 380.403 0.108 0 1 GCAF C[C@H]1N[C@@H](CNC(=O)c2cccc3c2C(=O)c2ccccc2-3)[C@@H](O)[C@@H](O)[C@@H]1O 89455862 NQPIYVRYYGVNCF-WVNDWGAXSA-N 382.416 0.071 0 1 GCAF COc1cccc(NC(=O)NC[C@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)c1 95578188 YAOKZMJVVGYFMH-ZNMIVQPWSA-N 390.396 0.324 0 1 GCAF COCC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccccc2OC)O[C@H]1CO 95675979 PZSXLCWRMIJETI-VYDXJSESSA-N 380.441 0.373 0 1 GCAF CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)c1ccccc1 95880429 UCVLSXWJAPQKBP-JZGRTCEGSA-N 381.432 0.741 0 1 GCAF CC(C)Oc1ccc2nc(C[C@@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2c1 587221493 QEQGUDHYPNPFHA-YPMHNXCESA-N 392.412 0.654 0 1 GCAF CC(=O)N1CCC(N[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](n3cnc4ccccc43)[C@H]2O)CC1 2356636204 ZHRWLRNUANBIDI-SLHNCBLASA-N 386.452 0.663 0 1 GCAF CCc1nn(C)c(NC(=O)Cn2ncc(N3CCC(CN)CC3)cc2=O)c1C 20859284 DGNIASXHQQBFOL-UHFFFAOYSA-N 387.488 0.661 0 1 GCAF CN1CN(C)c2nc3n(Cc4ccccc4)c(O)c(CCO)c(=O)n3c2C1=O 40465833 LEXPMPLURWTZCS-UHFFFAOYSA-N 383.408 0.264 0 1 GCAF CN(C)CCCNC(=O)C[C@H]1C=C[C@@H](NC(=O)c2ccccc2F)[C@@H](CO)O1 95675583 XEUNAZXFOLKMJY-ZTFGCOKTSA-N 393.459 0.698 0 1 GCAF COCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 95797842 MNXZFCVGXSKIEH-WFXMLNOXSA-N 381.432 0.893 0 1 GCAF N=c1[nH]cc2nc(Cn3cc(I)c(C(=O)O)n3)nc-2[nH]1 587184543 BHHNKKGRJKNLEU-UHFFFAOYSA-N 385.125 0.265 0 1 GCAF O=C(NC1CCN(S(=O)(=O)C2CCNCC2)CC1)c1cc(C2CC2)on1 1857589050 FTLBELHCJVMQRS-UHFFFAOYSA-N 382.486 0.828 0 1 GCAF Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@@H](NC3CCN(C)CC3)[C@H]2O)cc1 2356628947 LTJSDSPDILAKBO-FGTMMUONSA-N 383.514 0.085 0 1 GCAF O=C(C=Cc1cc(O)c2ccoc2c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@@H]1O 2356768085 JXPVQQNXOSCHEE-QUCGAITQSA-N 378.333 0.395 0 1 GCAF COC(=O)CCC(=O)N1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@@H]2C1 3838543 FPTFXRBGUMJAQO-ZDUSSCGKSA-N 379.800 0.898 0 1 GCAF biogenic C[C@]1(CSc2nc3ccccc3[nH]2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O 26378883 ANZJFEYHQKFAQH-XUJVJEKNSA-N 381.435 0.854 0 1 GCAF C[C@H]1C(CN2Cc3ccccc3S2(=O)=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 27733589 TWCGQWJBAFMSBX-UNNXFLIFSA-N 392.433 0.387 0 1 GCAF C=C1C(/C=C/C(=O)O)=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)[C@@H]2S1(=O)=O 27992735 QQYMMFPNJJCTHC-IEAALAHPSA-N 388.357 0.555 0 1 GCAF CC(=S)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccc2c(C)cc(=O)oc2c1 33493245 ZDAVWYMHGAWTAW-MWIANEHASA-N 395.433 0.225 0 1 GCAF NC(=O)c1ccc(-c2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 45355405 HHKUMWVBWBIJMZ-AWEZNQCLSA-N 377.356 0.854 0 1 GCAF Cc1cccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C(C)C)c1 95577846 NVHIABZZZPHGEU-NWDGLCLDSA-N 392.452 0.611 0 1 GCAF CC(C)[C@]1(O)CC(=O)[C@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@@]31C)[C@@H](O)[C@H](C)CC[C@@]42O 257445109 IJPNDQQOKFKBRG-YGDXWVFISA-N 382.453 0.311 0 1 GCAF endogenous,in-man O=C([C@H](CO)N1C(=O)CCC1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1772616829 LVSMTEIWAIFDOJ-AWEZNQCLSA-N 399.369 0.864 0 1 GCAF CN1CC[C@@]23C(=O)C[C@@](O)(C(=CCO)C1)C1=CCC(=O)N(c4ccccc42)[C@H]13 2356727134 IHSSFYXUNOOWJX-BHIFYINESA-N 380.444 0.928 0 1 GCAF O=C(O)CCNC(=O)c1cc2n(n1)CCCN(CCC1CCNCC1)C2=O 13762324 UBPVQXLZQALJTK-UHFFFAOYSA-N 377.445 0.323 0 1 GCAF C=CCNC(=O)N[C@@H]1C[C@H](C(=O)N[C@@H](C(=O)OC)C(C)C)N(C(=O)C2CC2)C1 25166370 RHTJXDOWDKKIRJ-RBSFLKMASA-N 394.472 0.165 0 1 GCAF biogenic CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NS(C)(=O)=O)CO[C@@H]23)cc1 25407790 ILURWSAZJACKTF-YJNKXOJESA-N 384.410 0.522 0 1 GCAF biogenic CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@@H](O)[C@H]1O 36272793 KKOVVDNJUPCRKX-KHSSZTOVSA-N 390.444 0.326 0 1 GCAF Cc1ccccc1CCNc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49785686 BDZQJXAAEGQTGC-ZIGSKRJUSA-N 385.424 0.401 0 1 GCAF C[C@@H](O)CC[C@H]1[C@H](C)C[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C 70455065 SWEFBSBXBXTOAX-FLSOLMFXSA-N 376.490 0.405 0 1 GCAF biogenic,in-vitro O=C(C[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCCCN1CCOCC1 95904018 VSEYOWDNEXZEFM-OKZBNKHCSA-N 397.516 0.040 0 1 GCAF COc1cc(O)c2c(c1)[C@@H]1O[C@@H]([C@@H](O)C[C@H]1O)[C@H](O)C=CC[C@H](C)OC2=O 253777136 GNDKUQOAVULHDO-XHMOFFJOSA-N 380.393 0.819 0 1 GCAF C[C@H](NC(=O)[C@H](C)N[P@](=O)(O)CNC(=O)OCc1ccccc1)C(=O)O 299844576 GZGVCENWNOSBQP-QWRGUYRKSA-N 387.329 0.623 0 1 GCAF O=C(Nc1nn[nH]n1)[C@@H]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 621477650 SAQLREIWZSUBFK-MRVPVSSYSA-N 390.347 0.868 0 1 GCAF CC(=O)N1CCN(C(=O)C2CCCCC2)[C@@H](C(=O)N[C@@H]2CCCNC2=O)C1 25429490 NMJSNHBIBKYOMI-HZPDHXFCSA-N 378.473 0.021 0 1 GCAF biogenic Cc1cc(O)c(-c2ccccc2)c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 40893529 DTTMUSAMIPGNOQ-ZFLBDUOESA-N 378.377 0.252 0 1 GCAF O=C(N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO)c1ccccn1 95905577 IMYXICHLXCMOQK-RYRKJORJSA-N 391.468 0.653 0 1 GCAF O=C(O)c1cccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1 96900896 YMVQKUVFFDCEKM-GJGATLCTSA-N 376.361 0.231 0 1 GCAF OC[C@H]1O[C@@H](n2cc(I)c3cccnc32)[C@H](O)[C@@H]1O 1857569890 VOJNQIPIYLHJJS-DNRKLUKYSA-N 376.150 0.252 0 1 GCAF CN1[C@H]2CCN(C3CCCCC3)[C@H]2C(=O)NC[C@H]1CCC(=O)N1CC[C@H](O)C1 2356845928 OIVQVUXHZJZMKY-DOADOZAASA-N 392.544 0.566 0 1 GCAF COC(=O)[C@H]1CN(C(=O)c2ccc(OC)cc2)CCN1C(=O)C1CCNCC1 4270797 SQSIJDDWIVMAPS-QGZVFWFLSA-N 389.452 0.521 0 1 GCAF biogenic CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)N[C@@H](C)C(=O)O 13733586 LAFIJJOQVCCNOS-JQFCIGGWSA-N 393.484 0.946 0 1 GCAF OCCNc1nc(N2CCCC2)c2nc(NCCO)nc(N3CCCC3)c2n1 28710615 SNTVRQVLBMNYAZ-UHFFFAOYSA-N 388.476 0.429 0 1 GCAF CSc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 29058163 IRFZERSLBNKSOA-WOUKDFQISA-N 376.232 0.527 0 1 GCAF CCSc1nc2c(N)ncnc2n1[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O 36488828 BBPLLEYPIVIAHT-IOSLPCCCSA-N 389.330 0.295 0 1 GCAF CC(C)(Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 48999687 PBEHSPPPDCLCTM-DRRHNWJESA-N 385.424 0.785 0 1 GCAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)CN1CCOCC1)C2 95796700 BPUIWZWXAYCJKI-FXAWDEMLSA-N 387.480 0.297 0 1 GCAF O=C(NCc1cc(F)cc(F)c1)[C@H]1[C@@H]2N[C@@H](Cn3c2cccc3=O)[C@@H]1CO 95884578 ZFBXTHNADMEDJT-LBTBCDHLSA-N 375.375 0.694 0 1 GCAF O=C1CSC[C@H](c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)N1 587044011 XKQKKWQTYIADEF-OAHLLOKOSA-N 389.481 0.217 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587224306 YVUYLZCMMUXBNS-IPURGOFSSA-N 392.372 0.111 0 1 GCAF CN1CC[C@@]23C(=O)C[C@@]4(O)C(=CCO[C@H]5CC(=O)N(c6c(O)cccc62)[C@@H]3[C@H]54)C1 2356831071 JLYMCLUGRSWMPR-DVFPORMJSA-N 396.443 0.730 0 1 GCAF O=C1N[C@@H](CC2CCCCC2)C(=O)N2CCN(C(=O)N3CCOCC3)C[C@H]12 4260112 LQNHOBCBTRBBOW-JKSUJKDBSA-N 378.473 0.420 0 1 GCAF biogenic CCO[C@H]1O[C@@H](COC(=O)C(C)(C)C)[C@@H](O)C[C@@H]1n1cc(C)c(=O)[nH]c1=O 6001762 HDGZTAFELKEMDZ-ABHRYQDASA-N 384.429 0.488 0 1 GCAF CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1cccs1 14951827 OCEUKYZNIXMBLL-QEJZJMRPSA-N 380.514 0.843 0 1 GCAF N=C(N)Nc1ccc(C(=O)NCCC(=O)N2CCC(OCC(=O)O)CC2)cc1 26188231 UOWRIDSRYFORLG-UHFFFAOYSA-N 391.428 0.204 0 1 GCAF O=C(NC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@H]1O)C12CC3[C@@H](CCC[C@H]3C1)C2 28526669 AOMBHLFCWIMSPC-FIPPXXSPSA-N 389.452 0.518 0 1 GCAF OC[C@@H]1O[C@@H](n2cnc3c(NC4CC4)nc(Nc4ccccc4)nc32)[C@H](O)[C@@H]1O 36272728 ZLCOZSQRGIVSFD-KDQZPGIASA-N 398.423 0.756 0 1 GCAF CO[C@@H]1O[C@H](Cn2cc(-c3ccc(C(F)(F)F)cc3)nn2)[C@H](O)[C@H](O)[C@H]1O 49069353 FFWULPKYVDFIGW-GZBLMMOJSA-N 389.330 0.418 0 1 GCAF N[C@H]1CN(c2cc(N3CCc4nocc4C3)ncn2)C[C@@H]1N1CCCCC1=O 66078726 FMEOYYNNCIVCTM-HOCLYGCPSA-N 383.456 0.556 0 1 GCAF NC1=NON[C@H]1N1N=N[C@H](c2n[nH]c(-c3ccncc3)n2)[C@@H]1CN1CCCCC1 169352077 QOSJHIAXUCUPLN-DCGLDWPTSA-N 397.447 0.578 0 1 GCAF OC[C@H]1O[C@@H](Oc2ccc(CCc3cc(O)cc(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O 299836321 NFFFMNNSWNWCRX-OUUBHVDSSA-N 392.404 0.062 0 1 GCAF CC[C@H](C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)([C@H](C)O)C(C)(C)O)[C@H]12 2356645720 CJYGEJQKEOQHSM-LIGLKRNYSA-N 399.484 0.385 0 1 GCAF COC(=O)[C@@H]1C[C@@H](O)CN1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 43123105 VXGNRZWWHFBJFA-RNCFNFMXSA-N 391.355 0.681 0 1 GCAF O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCOCC2)O1)NCC1CC1 95887255 NCINSYYDRJCYKJ-FUMNGEBKSA-N 396.528 0.939 0 1 GCAF O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCCCN1CCOCC1 95904021 VSEYOWDNEXZEFM-RCCFBDPRSA-N 397.516 0.040 0 1 GCAF CC(C)[C@]12O[C@H]1[C@H](C)[C@@]1([O])[C@@]3(C)C[C@H](O)C4=C(COC4=O)[C@@H]3C[C@@H]3O[C@@]31[C@@H]2O 100037817 YHIBBAZVPNIPDY-TVIYFTTFSA-N 391.440 0.742 0 1 GCAF Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(=O)NC3CC3)CC(=O)N(C)C2)nn1C 2356302418 UYRYDNOQBBBILM-HIFRSBDPSA-N 375.473 0.754 0 1 GCAF COC(=O)N[C@H](CCc1c(C)nc2n(C)c3cc[nH]c3c(=O)n12)C(=O)OC 2356431779 FEBAHQNLYXGZLY-SNVBAGLBSA-N 375.385 0.653 0 1 GCAF CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@@H]3[C@H](NC(=O)C4CC4)CO[C@@H]32)cc1 2356820419 FKSBFWXNECBTHC-QBPKDAKJSA-N 384.440 0.640 0 1 GCAF COC(=O)/C=C/C1=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)[C@@H]2S(=O)(=O)C1 27987157 PAQWLZPDZMNRLY-IEAALAHPSA-N 390.373 0.130 0 1 GCAF C[C@H](CC(=O)O)NC(=O)c1cc2n(n1)CCN(CCC1CCNCC1)C2=O 29326810 XGVKMWHBYQGFBH-GFCCVEGCSA-N 377.445 0.322 0 1 GCAF O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)C2)cc1/C=C/I 40510641 IVPBYJXSUIEMOB-NJJACTBESA-N 378.166 0.247 0 1 GCAF O=C(Cc1ccccc1)N[C@@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO 95675647 CLBFLRMDTNZFIM-RCCFBDPRSA-N 376.453 0.503 0 1 GCAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCc3ccncc3)N[C@@H]21 95880904 ABRYQSCSBMDOOT-INYVVRDLSA-N 394.475 0.887 0 1 GCAF Cc1ccc(S(=O)(=O)NCCc2cn(Cc3cnc(C)nc3N)nn2)cc1 144917745 DBCLPHAZEDZWJO-UHFFFAOYSA-N 387.469 0.836 0 1 GCAF COC[C@H]1C(=O)[C@@]23[C@@H](O)[C@@H]1CC[C@@H]2[C@]12CO[C@@]3(O)[C@H](O)[C@H]1C(C)(C)CC[C@H]2O 238756829 PKWWPYGUEJBDRL-RQCAMBHISA-N 396.480 0.082 0 1 GCAF N[C@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587220613 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AXVOZQBQSKODRV-RKUWFUAISA-N 381.477 0.503 0 1 GCAF COCC(=O)NCC1(COc2ccc(C(F)(F)F)cn2)C[C@H](O)[C@@H](O)C1 2356300965 YGDFAYZZLJLKKP-RYUDHWBXSA-N 378.347 0.744 0 1 GCAF Cc1ccc(CN2C(=O)[C@H]3C[C@H](O)CN3C3(CN(CCC(C)C)C3)C2=O)o1 2356319153 HMXBYJVMHCNLRP-DOTOQJQBSA-N 375.469 0.993 0 1 GCAF COCC(=O)NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCN(C2=CC=C[CH]N2)CC1 2356531825 AVJGKLXPKGGOLG-QRVBRYPASA-N 388.536 0.240 0 1 GCAF CC1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)c3cccc(F)c3)[C@H](O)[C@@H]2O)CC1 2356866506 VNSXWICWBGIRRT-ISARSNTHSA-N 394.443 0.693 0 1 GCAF COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](O)[C@@H](N)CCCCN 13451227 CGMUBURMPMVFHE-USXIJHARSA-N 376.457 0.185 0 1 GCAF Cc1ccccc1S(=O)(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 95886569 FYAAWLKBSBUMEX-LVQVYYBASA-N 399.465 0.768 0 1 GCAF OC[C@@H]1O[C@H](c2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O 257448546 ISYJYFWUXHMCFY-MMLZUTOCSA-N 390.388 0.489 0 1 GCAF endogenous,in-man C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCN(CCO)CC4)[C@@H]3[C@@H](O)[C@@]21C 504510482 HMSAIGOZLMKVAN-QCFKTBRPSA-N 378.513 0.881 0 1 GCAF biogenic O=C1[C@H]2C[C@H](O)CN2C2(CN(Cc3cccnc3)C2)C(=O)N1Cc1cccnc1 2356764402 FMKMOQDLKGLPQW-ZWKOTPCHSA-N 393.447 0.035 0 1 GCAF CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3nccs3)n2)CC1 23360540 PSCBVZXHPONWAG-UHFFFAOYSA-N 384.469 0.972 0 1 GCAF CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NCC(=O)O)cc1 33857467 UXVCSCQMPWYPNL-UHFFFAOYSA-N 382.384 0.035 0 1 GCAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O[C@H]1CN(C)C 95849453 MWWZDVMRDUNHCF-XNJGSVPQSA-N 399.513 0.840 0 1 GCAF COc1ccc(C[C@@H]2NC(=O)[C@@H]3CN(C(=O)c4ccco4)CCN3C2=O)cc1 25221585 BJIZJENKWRFTHR-HOTGVXAUSA-N 383.404 0.682 0 1 GCAF biogenic O=C(O)Cc1cs/c(=N/C(=O)CS(=O)(=O)c2ccc(Cl)cc2)n1O 40413428 PLEWCQRFVFSLDQ-FYWRMAATSA-N 390.826 0.969 0 1 GCAF Cc1nc(NC(=O)c2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 40973722 PHGOTESZKKOSCE-PTNZTPPNSA-N 394.449 0.089 0 1 GCAF CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2cccnc2)O1 95885102 OSTXBBBXOSEBLK-HZMVEIRTSA-N 377.441 0.357 0 1 GCAF Cn1cc([C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(=O)n(C)c1=O 962702488 AAWBEBFUJCOOLF-GUYCJALGSA-N 381.354 0.993 0 1 GCAF CCOc1ccc(Cc2ccc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1 1857752406 KOGRKDBRWPGZLP-ADAARDCZSA-N 390.432 0.897 0 1 GCAF CN1CC[C@@]23C(=O)C[C@@]4(O)C(=CCO[C@@H]5CC(=O)N(c6c(O)cccc62)[C@H]3[C@H]54)C1 2356831074 JLYMCLUGRSWMPR-WESSADLBSA-N 396.443 0.730 0 1 GCAF CC[C@H](NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)P(=O)(O)O 26506126 HFKRVPQZLUFYNY-SECBINFHSA-N 392.146 0.982 0 1 GCAF CN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCOCC1 95879863 SHGCLJKCQARQQD-IJXRJRJASA-N 399.491 0.868 0 1 GCAF C[C@H]1C[C@@H](C)C(=O)[C@H]2C[C@H]3[C@@H](O)[C@]4(C)O[C@]25C(=C1O)C(=O)O[C@]35C[C@@H]4CO 2356334843 OEVGTEZGSWWQLP-KDLFGGAGSA-N 378.421 0.876 0 1 GCAF Cn1ccnc1CNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3CCCCC3)[C@H](O)[C@H]2O1 2356760025 ATINJUCEMRXCLY-HGDKKCICSA-N 392.500 0.635 0 1 GCAF COc1cc(-c2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)c(OC)c(C)c1C 27409970 NBTNJCRARBXDRE-NUEKZKHPSA-N 392.408 0.478 0 1 GCAF CC(C)NS(=O)(=O)c1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 35826103 KVBOFSFJZOSUGM-UHFFFAOYSA-N 377.426 0.314 0 1 GCAF CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc4c(c3)CCO4)C(=O)N2[C@@H]1C(=O)O 40492252 COYRKOYHQSMYGA-BRXULGCHSA-N 391.449 0.253 0 1 GCAF Nc1nc(NCC[C@@H]2C=CCCC2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49110012 UECDEODSHCIWLV-YAQWBVNKSA-N 390.444 0.178 0 1 GCAF CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O 142731526 DDXULJFDBNIPEQ-QXKUPLGCSA-N 394.516 0.558 0 1 GCAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCN(CCO)CC4)[C@@H]3[C@@H](O)[C@]21C 504510479 HMSAIGOZLMKVAN-FMOGIZSMSA-N 378.513 0.881 0 1 GCAF biogenic COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc(S(N)(=O)=O)cc41)[C@@H](C2)C3=O 587450837 VCCKYHVTEJAKGQ-SGTLLEGYSA-N 386.385 0.938 0 1 GCAF CN1CCN(C[C@@H]2CN3CC[C@H]2C[C@H]3CNS(=O)(=O)c2ccccc2)CC1 2356307949 GDUDALXBWJLERD-OTWHNJEPSA-N 392.569 0.923 0 1 GCAF C[C@H](O)C(=O)N[C@@H]1CCN2C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]2C1 2356314277 XHLMGERLESEJAR-CJYSPXJISA-N 379.844 0.238 0 1 GCAF OC[C@@H]1O[C@H](c2c(O)cc(O)cc2C=Cc2ccc(O)cc2)[C@H](O)[C@H](O)[C@@H]1O 2356707162 ISYJYFWUXHMCFY-CJSSEVFESA-N 390.388 0.489 0 1 GCAF CCCn1c(=O)n([C@H]2CC[C@@H](CO)O2)c2nc(NC(=O)C(C)(C)C)[nH]c(=O)c21 27108998 HNSBLHZWZZPCPR-WDEREUQCSA-N 393.444 0.951 0 1 GCAF C[C@H](Nc1nc(N)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 49017634 BCZIBYCVFGZOEW-JAXZWTOBSA-N 386.412 0.193 0 1 GCAF C[C@@H]1N=C2c3ncn([C@H]4O[C@@H](CO)[C@H](O)[C@@H]4O)c3N=CN2[C@H]1c1ccccc1 49018299 JRYXPZRNIIPBTF-ISGYEKEQSA-N 383.408 0.360 0 1 GCAF O=C(O)[C@H]1CCCN1C(=O)Cc1ccc(CC(=O)N2CCC[C@@H]2C(=O)O)cc1 80766133 RFQSBZVDGWODLX-HZPDHXFCSA-N 388.420 0.923 0 1 GCAF Cn1c(=O)n(CCOC(=O)CNC(=O)c2cccs2)c(=O)c2ccccc21 96934414 CCCMKKRWOHFSOW-UHFFFAOYSA-N 387.417 0.735 0 1 GCAF CC(=O)NCCNC(=O)[C@@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 2356298634 PVVIUQWTKSXPIV-GVDBMIGSSA-N 397.483 0.303 0 1 GCAF O=C(C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCc1ccncc1 95676223 ZNNAKNJWDLOPKK-FGTMMUONSA-N 389.452 0.315 0 3 GCAF OC[C@H]1O[C@@H](n2cnc3c(NCc4cc(F)cc(F)c4)ncnc32)[C@H](O)[C@H]1O 28647918 ZURRRIFILFFVJG-ABYLEIOUSA-N 393.350 0.328 0 1 GCAF C[C@H](O)CNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 299883933 SFPOVYDBJGXTPE-LESCRADOSA-N 384.436 0.774 0 1 GCAF COc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc2cc(C)c(C(C)=O)c(O)c12 2356592517 AVYRWRRYPRHDJL-ZFKCKOODSA-N 378.377 0.883 0 1 GCAF NCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82210274 NVDQRZCEPSMWGX-OAHLLOKOSA-N 392.419 0.631 0 1 GCAF C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@]1(C)CCNC1)CC2 1772618285 ZYEIGCILXAGHKH-RNODOKPDSA-N 396.499 0.855 0 1 GCAF Cn1cc(CNC(=O)C[C@@H]2C[C@@H]3O[C@H](CNC4CCCCC4)[C@H](O)[C@@H]3O2)cn1 2356290103 JPCBXLKJJOHEHL-VBYALHQYSA-N 392.500 0.635 0 1 GCAF Cc1ccc(CN2C(=O)[C@H]3C[C@H](O)CN3C3(CN(Cc4ccccn4)C3)C2=O)o1 2356711840 BXTWAMJEMRAYGZ-FUHWJXTLSA-N 396.447 0.542 0 1 GCAF Cn1cc(CNC(=O)C[C@@H]2C[C@@H]3O[C@H](CNC4CCCC4)[C@H](O)[C@@H]3O2)cn1 2356742876 HILKNAWDSMCVDI-MQOOWTBDSA-N 378.473 0.244 0 1 GCAF CC(C)[C@H](NC(=O)[C@H](C)O)C(=O)O[C@H](C(=O)N[C@@H](C(=O)O)C(C)C)C(C)C 2356791183 ILGZHNBKJDGUCP-CRWXNKLISA-N 388.461 0.301 0 1 GCAF CN1[C@H]2CCN(CC3CC3)[C@H]2C(=O)NC[C@H]1CCC(=O)NCc1cccnc1 2356808893 ALCASKFEYQNXPX-WSTZPKSXSA-N 385.512 0.761 0 1 GCAF C[C@H](O)[C@]1(O)CC[C@@]2(O)[C@@]3(O)CC=C4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 255276012 WIOBOUWMWWLZKG-RLCURGLJSA-N 382.497 0.623 0 1 GCAF O=C(O)[C@H](O)[C@H](O)c1nc2c(Br)cnc(Br)c2[nH]1 586894033 XSODGHYEYWIVJC-NTSWFWBYSA-N 380.980 0.962 0 1 GCAF COc1ccc(S(=O)(=O)N[C@H](c2nc3c(O)nc(O)nc3[nH]2)[C@@H](C)O)cc1 586937376 SYIJCQZVHVIHNW-XCBNKYQSSA-N 395.397 0.173 0 1 GCAF Cn1cc([C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(=O)n(C)c1=O 962702489 AAWBEBFUJCOOLF-SUMWQHHRSA-N 381.354 0.993 0 1 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396.436 0.530 0 1 GCAF Nc1ncnc2c1c(Sc1cccs1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 653775384 AESHRYUAIUKRNB-UHEGPQQHSA-N 380.451 0.838 0 1 GCAF CN1CCN(C[C@H]2CN3CC[C@H]2C[C@H]3CNS(=O)(=O)c2ccccc2)CC1 2356307947 GDUDALXBWJLERD-FHWLQOOXSA-N 392.569 0.923 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)[C@@H](C)C2 2356512077 UQYNGSPDPASNLN-ZGFZVZAXSA-N 380.437 0.037 0 1 GCAF OC[C@@H]1O[C@H](c2c(O)cc(O)cc2C=Cc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O 2356707163 ISYJYFWUXHMCFY-LFAQGZIKSA-N 390.388 0.489 0 1 GCAF CC(C)[C@@H]1C(=O)C(C)(C)C(=O)N1C(=O)[C@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](C)N(C)C 2356785696 ANARGESUVAEGNN-RYPNDVFKSA-N 397.516 0.427 0 1 GCAF CC(C)NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1CCc1ccc(O)cc1 199237892 AOPNDXLFQSZIQP-GOSISDBHSA-N 397.497 0.322 0 3 GCAF COC(=O)c1cn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)nn1 28091301 XWXKPRXCAKXAEW-NSHDSACASA-N 377.332 0.654 0 1 GCAF COC(=O)c1ccc(-c2cccc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2)cc1 53314006 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COC(=O)c1ccc(-c2cccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2)cc1 169724877 KJXHYBWPKVGFJG-KLBVCGFUSA-N 390.388 0.319 0 1 GCAF CCO[C@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587529501 BAZPXBVJQFOLEQ-ZNWBIBPKSA-N 376.405 0.953 0 1 GCAF Cn1cc(Nc2ncc(Cl)c(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4OCCO)n2)cn1 1772587523 VFXRIBNDTAAKLH-YIYPIFLZSA-N 396.835 0.563 0 1 GCAF O=C(CO[C@@H]1CO[C@@H]2[C@@H](NCc3ccccn3)CO[C@@H]12)OCc1ccccn1 2356668597 VJGQLKAOHSQPJA-CUDHKJQZSA-N 385.420 0.861 0 1 GCAF CCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OCC)CC2)C1 3008233 NJSQBORPWAXBHO-AWEZNQCLSA-N 375.491 0.739 0 3 GCAF NC(=O)C1CCN(C(=O)CC[C@@H]2N=C3c4ccccc4NC(=S)N3C2=O)CC1 2965561 JXCZPPWBKXCDTI-AWEZNQCLSA-N 399.476 0.859 0 1 GCAF COCC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(Br)cc3C(=O)N2C1 8299911 WFOVOEVRLZVNLK-CABZTGNLSA-N 382.214 0.747 0 1 GCAF biogenic CCOC(=O)CC[C@H](NC(=O)c1ccc2nc(N)[nH]c(=O)c2c1)C(=O)OCC 25966717 YLCNVXMQZKAUAJ-ZDUSSCGKSA-N 390.396 0.510 0 1 GCAF 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Oc1ccc(C=Cc2cc(O)cc(O[C@@H]3O[C@H](O)[C@H](O)[C@H](O)[C@H]3O)c2)cc1 2356742888 ICKZLALRLAHODG-BRIYLRKRSA-N 376.361 0.404 0 1 GCAF CC(=O)OC[C@H]1C[C@@H](n2cc(Br)c(=O)[nH]c2=O)C[C@@H]1OC(C)=O 5857288 KABDUHSYEFCKLN-FOGDFJRCSA-N 389.202 0.745 0 1 GCAF OC[C@@H]1O[C@H](n2cnc3c(N[C@H]4CCc5cc(O)ccc54)ncnc32)[C@H](O)[C@@H]1O 36272024 VGUMDIPNXQFLGI-BRDQJBEXSA-N 399.407 0.243 0 1 GCAF COC(=O)Cn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@@H](C(C)C)N2 82224247 HAEAINKSLGHOOB-JTQLQIEISA-N 376.369 0.478 0 1 GCAF O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1 95903734 HDMJUGRTWFBQSU-KSZLIROESA-N 381.517 0.803 0 1 GCAF C[C@@H]1[C@@H](O)C[C@@]23COC(=O)C2=CC[C@H](O)[C@@H]3[C@@]1(C)CCC1=C[C@@H](O)OC1=O 523041490 GMGAHTBITASRRA-IJCVNFCSSA-N 378.421 0.826 0 1 GCAF biogenic C[C@@H](O)[C@H](N)C(=O)NC/C=C/Cn1cnc2cc(C(F)(F)F)ccc2c1=O 1857605493 ZDZCUZFTHDYFGM-IQIFGGCUSA-N 384.358 0.796 0 1 GCAF CS(=O)(=O)c1ccc(OC[C@@H]2C[C@H](NC(=O)C3CCCC3)[C@H](O)[C@H]2O)cc1 2356290611 XMHJDLKYUUSYMF-MGHWNKPDSA-N 397.493 0.886 0 1 GCAF COC[C@@H]1C(=O)[C@@]23[C@H](O)[C@H]1C[C@H](O)[C@@H]2[C@@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2 2356382146 OJCRCWSUQSESNM-OACOQPOOSA-N 396.480 0.082 0 1 GCAF CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 13490370 PPZLXFVYHZKNSI-RKVPGOIHSA-N 389.408 0.682 0 1 GCAF C[C@@H]1C(=O)N(CC(=O)O)CCCN1C(=O)C[C@H](N)Cc1cc(F)ccc1F 14958864 RAOFJCIQAMCUTL-BXUZGUMPSA-N 383.395 0.759 0 1 GCAF N=C(N)NCc1ccc(C(=O)NCCC(=O)N2CCC(CC(=O)O)CC2)cc1 26252804 RVANMLQADBFPNH-UHFFFAOYSA-N 389.456 0.503 0 1 GCAF O=C(O)C[C@@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(CCC1CCNCC1)C2 29565178 WHQCRUOBSQLFAS-INIZCTEOSA-N 389.452 0.598 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(N[C@H]4CCc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1O 49054664 XAQBEKCHNPBVBO-NXDVGTENSA-N 397.435 0.407 0 1 GCAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@]1(C)O[C@H](CO)[C@@H](O)[C@H]1O 49066453 LAUJHHDMVNOAOD-HQAMDYDRSA-N 399.451 0.655 0 1 GCAF C[C@H](CC[C@@H](C)O[C@@H]1O[C@H](C)[C@H](O)C[C@@H]1O)O[C@H]1O[C@H](C)[C@@H](O)C[C@H]1O 169355033 FPCCHTIHZRLZPV-BWOCMULYSA-N 378.462 0.290 0 1 GCAF CN(Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)S(=O)(=O)c1cccnc1 586928869 MSXDWOJFGHDRFF-UHFFFAOYSA-N 381.439 0.426 0 1 GCAF COC[C@H]1C(=O)[C@]23C[C@@H]1C[C@@H](O)[C@H]2[C@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O 653735690 URACXFCMOSKOEL-LMPLIVEMSA-N 394.464 0.902 0 1 GCAF COCCN(CCOC)C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 5679774 MQJIZJNLWUPELL-SFHVURJKSA-N 395.481 0.953 0 3 GCAF CNCC(=O)N[C@@H]1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@@H]2C1 25204455 AOLIHUXNAQHIOH-MFKMUULPSA-N 395.257 0.710 0 1 GCAF biogenic OC[C@@H]1O[C@@H](n2cnc3c(NCC4=CCc5ccccc54)ncnc32)[C@@H](O)[C@@H]1O 25996434 HPDZGAGMDATLJH-DZIWXPPMSA-N 395.419 0.489 0 1 GCAF CCCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2CO1 28222901 LTSCLHCNGCZJAK-BNOWGMLFSA-N 375.381 0.214 0 1 GCAF Cc1ccc(S(N)(=O)=O)cc1[C@]1(C)N[C@H](C(=O)O)Cc2c1nn(C)c2C 962705858 FTBJUNIBKHDVQK-YOEHRIQHSA-N 378.454 0.547 0 1 GCAF COC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1 1857585746 YMPKIQOJDRNKEG-ZFWWWQNUSA-N 391.424 0.582 0 1 GCAF COCCNC(=O)[C@H]1CCC[C@@H](NC(=O)c2cc(C)n(C)n2)CN(C)C(=O)C1 2356299011 QWSZXGKCEBLYCJ-LSDHHAIUSA-N 393.488 0.238 0 1 GCAF S=C(NCCN1CCOCC1)NC[C@@H]1C[C@H]2CCN1C[C@@H]2CN1CCCC1 2356763245 CZBUPAOLUAKMKN-QYZOEREBSA-N 395.617 0.589 0 1 GCAF COC(=O)[C@@H]1CN(C(=O)C2CCNCC2)CCN1C(=O)c1ccc(OC)cc1 4270695 CXFMVYIQADMXTE-KRWDZBQOSA-N 389.452 0.521 0 1 GCAF biogenic C[C@H](O)[C@](C)(O)C(=O)OC[C@@H]1CCN2CC[C@@H](OC(=O)c3ccccc3O)[C@@H]12 14556479 HQNBAGWQDKKAMY-XAAHCIJYSA-N 393.436 0.687 0 1 GCAF biogenic CCN(CC)c1nc(NCCO)nc2c(N(CC)CC)nc(NCCO)nc12 28710629 ZRKXKRHATBJMBZ-UHFFFAOYSA-N 392.508 0.921 0 1 GCAF O=C(C[C@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)NCc1ccc2c(c1)OCO2 95887822 YFRMSEXFMHDWES-ZXFNITATSA-N 378.425 0.319 0 1 GCAF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 586935978 LPRMJZVYKGPHOD-UHFFFAOYSA-N 392.368 0.831 0 1 GCAF COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccccc3[C@@]23C[C@@H](C(=O)OC)NC3=N1 13656312 OXOUDLVILKMMOU-ORBZYBPHSA-N 399.403 0.290 0 3 GCAF COC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C 95661047 UUDITCQIVHGHRN-OFQRWUPVSA-N 397.476 0.501 0 3 GCAF NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCC(=O)N1 26838778 LGVQPHFNYDQRNG-KKUMJFAQSA-N 378.473 0.197 0 1 GCAF CCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc21 72315790 ZQUKGJSMCUOBNN-UHFFFAOYSA-N 379.424 0.882 0 1 GCAF CC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@H](C)[C@H](CN(C)S(C)(=O)=O)O2 95661002 UOTFDYJDGWOOQR-SJCJKPOMSA-N 397.497 0.934 0 1 GCAF CC(C)NC(=O)NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 95864448 QYIDETKDHTZXMS-BHYGNILZSA-N 399.513 0.971 0 1 GCAF CCOC(=S)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1 257499260 NZQNGCULBWTLGQ-CHULVVDUSA-N 399.465 0.875 0 1 GCAF endogenous,in-man N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587220159 MWGHFJCJIYNYMX-RKDXNWHRSA-N 396.331 0.224 0 1 GCAF CC(=O)OC[C@H]1C[C@H](OC(C)=O)[C@@H](n2cc(Br)c(=O)[nH]c2=O)C1 3653544 FYHUGDOHZFPYND-USWWRNFRSA-N 389.202 0.745 0 1 GCAF COc1cccc(-c2nc(-c3cnccn3)n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)n2)c1 5849657 BVGMWMNHVBJEKV-KRXQYRFLSA-N 385.380 0.022 0 1 GCAF CC1=C([C@@H](C)CO)C[C@]2(O)[C@@]3(C)CC(=O)O[C@@]4([C@H](O)[C@@H](C)CC[C@]34O)[C@@]12O 13397412 WIFHAKQJYHVTQK-QLRLNHMQSA-N 382.453 0.025 0 1 GCAF in-man CC1=C([C@@H](C)CO)C[C@]2(O)[C@@]3(C)CC(=O)O[C@@]4([C@H](O)[C@H](C)CC[C@@]34O)[C@@]12O 13397415 WIFHAKQJYHVTQK-DNHRMQFDSA-N 382.453 0.025 0 1 GCAF in-man CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)CN1CCOCC1 95895112 YXKYOXQJAAHLST-BJLQDIEVSA-N 375.469 0.152 0 1 GCAF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 586935407 GNRQSTNFELMBSX-UHFFFAOYSA-N 386.393 0.575 0 1 GCAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3c[nH]c(=N)[nH]c-3n2)[C@@H](C)O)cc1 586938377 XCYCTYPYIGCHDO-PRHODGIISA-N 378.414 0.126 0 1 GCAF C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12 899222 HRSGCYGUWHGOPY-OYRZTDLASA-N 397.468 0.305 0 1 GCAF CCCn1c(=O)n([C@@H]2CC[C@@H](COC(C)=O)O2)c2nc(NC(C)=O)[nH]c(=O)c21 27108435 YXHMJAHIZJNKHX-RYUDHWBXSA-N 393.400 0.495 0 1 GCAF CCN1C(CN2CCOCC2)=Cc2cc(S(N)(=O)=O)sc2S1(=O)=O 40741236 KPPXBPCPUNIINJ-UHFFFAOYSA-N 393.512 0.093 0 1 GCAF O=C(O)[C@H]1CCCN1C(=O)Cc1cccc(CC(=O)N2CCC[C@@H]2C(=O)O)c1 77987644 BNYMPNNZLJOZDN-HZPDHXFCSA-N 388.420 0.923 0 1 GCAF COC(=O)Cn1c(=O)c(NC(C)=O)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82210489 NITHWSGMOLITMO-ZDUSSCGKSA-N 378.429 0.906 0 1 GCAF CC(=O)Nc1cnccc1[C@@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963207523 QYKBYHLDSZOGCL-YQQAZPJKSA-N 380.408 0.610 0 1 GCAF O=C(C=Cc1cc2occc2cc1O)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O 2356733188 DBRHSUROBPSKMR-BQUDOFGOSA-N 378.333 0.395 0 1 GCAF CO[C@@H]1C[C@H]2C(=O)N3CCN(C(=O)c4ccc(N(C)C)cc4)C[C@@H]3C(=O)N2C1 3842128 YKPXBRJQUKKJLG-IXDOHACOSA-N 386.452 0.035 0 1 GCAF biogenic C[C@@H](c1ccccc1)N1C(=O)[C@@H]2CN(C(=O)COCC(=O)O)CCN2C1=O 5415736 WCCIEHHFYFBQHQ-JSGCOSHPSA-N 375.381 0.324 0 1 GCAF biogenic CC[C@@H]1NC(=O)[C@H]2C[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)CCN2C1=O 25198034 YTYFPVKSZQUULX-FPMFFAJLSA-N 385.873 0.886 0 1 GCAF biogenic O=C(C1CN(S(=O)(=O)c2cccnc2)C1)N1CCN(c2ccncc2)CC1 84687710 DAGXTIFFZOFWSR-UHFFFAOYSA-N 387.465 0.446 0 1 GCAF Cc1c(C(=O)N2[C@H]3CC[C@H]2CN(C2CC2)C3)cnn1-c1nc(=O)c2cccn2[nH]1 1857603054 AROYKTRUJZBZNT-GJZGRUSLSA-N 393.451 0.968 0 1 GCAF C[C@]12CC[C@H](O)C[C@@H]1[C@@H](O)C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(O)C(=O)CO 2356509738 YZEJGGKLJNZFGY-JNHOYBDCSA-N 382.497 0.624 0 1 GCAF CC=C(C)C(=O)O[C@@H]1CCN2C[C@@H]3[C@@H]4CC[C@@H](O)C(=O)N4C[C@H]([C@H]3O)[C@H]2C1 2356566962 ATRRNWLGGVBVEO-QZFSLIMTSA-N 378.469 0.301 0 1 GCAF COCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc2c1=O 4019795 PTVIXQIWACYGEX-UHFFFAOYSA-N 382.376 0.687 0 1 GCAF Nc1ncnc2c1c(I)cn2[C@@H]1OC2(CC2)[C@@H](O)[C@H]1O 13674231 OXJRCOJTKWMJQO-VHSKPIJISA-N 388.165 0.401 0 1 GCAF O=C(O)CSCC(=O)N1CC[C@@H]2NC(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 25416113 LCQAQALEMVMZAC-FZMZJTMJSA-N 381.385 0.669 0 1 GCAF biogenic CC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3[C@@H](O)[C@@H](O)[C@]12C 2356610747 WWPKUIPTUTUKAJ-KKZUBQPUSA-N 380.481 0.544 0 1 GCAF O=c1[nH]cnc2c1nc(SCc1ccccc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 13454260 CNMCFXDTJZNDME-YGSHXTJESA-N 390.421 0.023 0 1 GCAF COC(=O)[C@@H]1CN(C(=O)N2CCOCC2)CCN1C(=O)c1ccc(OC)cc1 25417949 DUSXYMUTSGQCKG-INIZCTEOSA-N 391.424 0.447 0 1 GCAF biogenic CN(C)CCCNC(=O)C[C@H]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1 95676019 IHGRXRHOBYYXJU-FGTMMUONSA-N 392.500 0.107 0 1 GCAF CN1CCN(C(=O)C[C@@H]2CC[C@H]3[C@@H](COC[C@@H](O)CN3CC3CC3)O2)CC1 95884927 PGGJSCYCRKXAAF-CADBVGFASA-N 381.517 0.170 0 1 GCAF COC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OC[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 103104079 JPDQRHRHTFZMHU-MZHDYWKESA-N 398.456 0.452 0 1 GCAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](C)O)N1 587832204 ZOBODWGQPKWUOT-RZZRMAMFSA-N 378.238 0.627 0 1 GCAF O=C1N[C@H](SCCN2C(=O)c3ccccc3S2(=O)=O)N[C@@H]2SCC[C@H]12 618015601 ISOGVNSPWDSTOS-YVLXSGLVSA-N 399.519 0.647 0 1 GCAF CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@]2(O)C=C[C@](C)(O)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@H]12 2356375121 QDEBNXLKVXHODZ-BDNODLDSSA-N 382.453 0.945 0 1 GCAF CN1[C@H]2CCN(Cc3ccccn3)[C@H]2C(=O)NC[C@H]1CCC(=O)N1CCCC1 2356828609 IIQVZHOKCCKZIP-WSTZPKSXSA-N 385.512 0.857 0 1 GCAF O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1ccc(Br)s1 6093660 IGUZFFOBAZCVRK-RNSXUZJQSA-N 389.227 0.668 0 1 GCAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N)c3ccc4c(c3)CCO4)[C@H]2SC1 27327717 YWNGHNYMFUOGEL-OGHNNQOOSA-N 389.433 0.380 0 1 GCAF NCCC(=O)Nc1cccc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)c1 36381397 LVVXMPZYEWCISH-UHFFFAOYSA-N 399.480 0.515 0 1 GCAF CC(=O)NC[C@H]1CN(c2ccc(N3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1 38411689 YIKUOTDQJLSBBR-ZDUSSCGKSA-N 383.401 0.993 0 1 GCAF Cc1ccc(S(=O)(=O)N2CCC(n3cc(-c4noc(=O)[nH]4)nn3)CC2)cc1 40976594 VDBTZGSFWDVZOR-UHFFFAOYSA-N 390.425 0.956 0 1 GCAF CCCS(=O)(=O)N1CC(=O)N(Cc2cccc(OC)c2OC)C[C@H](O)C1 105847827 IHAPMUHOZMDGGC-AWEZNQCLSA-N 386.470 0.449 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587218157 FKMQWMGMEJFJNY-BDAKNGLRSA-N 396.331 0.224 0 1 GCAF Cc1c(C(=O)N2CCN3CCC[C@@]3(C)C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857590073 NCAVDHWKCPNEAY-IBGZPJMESA-N 381.440 0.827 0 1 GCAF COCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccncc1 95661356 JZDMRHRLONCJRP-HKUYNNGSSA-N 381.432 0.910 0 1 GCAF CC(C)NC(=O)NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 95798510 QYIDETKDHTZXMS-PVAVHDDUSA-N 399.513 0.971 0 1 GCAF CC(=O)N1[C@H](C(=O)NCc2ccc(F)cc2)[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]21 95880147 GUDHGSNJQJUTHK-FEHORTKBSA-N 399.422 0.814 0 1 GCAF CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CCOCC2)O1 95885552 LGGFTYBQIURINE-MLHJIOFPSA-N 398.500 0.465 0 1 GCAF O=S(=O)(NCC1(COc2cnccn2)C[C@@H](O)[C@H](O)C1)c1ccc(F)cc1 2356691430 JFYNFUAEEHOVKD-HUUCEWRRSA-N 397.428 0.475 0 1 GCAF CC(C)[C@H](NC(=O)[C@@H](OC(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(C)C)C(=O)O 2356791186 ILGZHNBKJDGUCP-XUXIUFHCSA-N 388.461 0.301 0 1 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N[C@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587222225 RYAQMMKDSHCLPR-RQJHMYQMSA-N 388.302 0.284 0 1 GCAF CC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCNCC1 1772589831 DEUJZFLNVDVURG-UHFFFAOYSA-N 396.499 0.857 0 1 GCAF O=C1[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccoc3)C2)C(=O)N1Cc1cccnc1 2356291175 MXMCXXBCXGWUJG-IAGOWNOFSA-N 382.420 0.233 0 1 GCAF O=C(O[C@@H]1[C@@H](O)[C@@H](CO)O[C@H](Oc2ccccc2CO)[C@H]1O)c1ccccc1 2356585631 WUOFKHTVWRRLNC-QTVCLEQKSA-N 390.388 0.222 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3Cc4ccccc4C3)[C@H](O)[C@H]2O1 2356710323 ZMTTVADOIJTTHN-XJEPWFOTSA-N 390.480 0.182 0 1 GCAF CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)NCc2cccs2)[C@@H]3C1=O 13147381 HPMUTBVLALCMHC-AZAGILFBSA-N 376.434 0.709 0 1 GCAF CSCC[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](O)c1cc(F)cc(F)c1 13649022 DPANHMWDBUHMLU-HERUPUMHSA-N 376.425 0.733 0 1 GCAF Cn1ncc2c(c1=O)OCCCN2C(=O)CNC[C@H]1COc2ccccc2O1 26729107 PNOHHHLWAUJKLP-ZDUSSCGKSA-N 386.408 0.325 0 1 GCAF 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CCOC(=O)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@@H]2O)cc1 257567682 VMTHKXYSTHHGCH-ZJGDRNRASA-N 383.397 0.710 0 1 GCAF endogenous,in-man OC[C@H](O)CNC[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 2356287243 FPWXBMGMPKHOIB-DFEOGRTESA-N 380.416 0.875 0 1 GCAF Cc1noc(C)c1CN[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@@H]1O 2356298874 HKWIGMSQFLRXIY-YCEFEEMOSA-N 384.440 0.845 0 1 GCAF CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC(=O)O)NC1=O 2356815567 CTCHFPZQWNZVNJ-FMKPAKJESA-N 375.425 0.218 0 1 GCAF CN1[C@H](CCC(=O)N2CCCC2)CNC(=O)[C@H]2[C@H]1CCN2C1CCOCC1 2356865067 WJHNETFBHAJTFG-ZHALLVOQSA-N 378.517 0.441 0 1 GCAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@@H](NC(=S)NC4CCCCC4)CO[C@@H]32)nn1 36367039 QLFYKBHQTHHMDU-GBJTYRQASA-N 395.485 0.569 0 1 GCAF biogenic COCC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccccc2OC)O[C@H]1CO 95675972 PZSXLCWRMIJETI-UXLLHSPISA-N 380.441 0.373 0 1 GCAF O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1cccc(F)c1 95677053 SVHHNONGWSEYCY-BBWFWOEESA-N 378.400 0.489 0 1 GCAF C[C@@]12C(=O)O[C@@]3(CC[C@H]1O)[C@@H]2CC[C@@]12C[C@@](O)(CC[C@]31C)[C@@](O)(CO)C2=O 95914249 CRUJJSCQVBIUDA-ZPXCCNANSA-N 380.437 0.067 0 1 GCAF biogenic,in-vitro CC(=O)OCC1=C2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)[C@@H](OC(C)=O)C[C@H]3O 238755735 DZOYBWIJERJQJX-ROSLGNJOSA-N 382.409 0.635 0 1 GCAF biogenic CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@H]3CC=C(C)[C@H]2C3(C)C)[C@@H](OC(C)=O)[C@H](O)[C@H]1O 2356397126 HNOAGZCLPDPBHX-JVXLWQLHSA-N 398.452 0.935 0 1 GCAF CNC(=O)[C@@]1(C)O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 12405785 YBSOJQBZMFKGQX-AHMDFLBRSA-N 398.423 0.194 0 1 GCAF CN1CCN(C(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NCc4ccccc4)CN32)CC1 22922319 DPUJRBLNXBBHSY-ZCNNSNEGSA-N 399.539 0.272 0 1 GCAF biogenic CC(=O)N[C@@H](C(=O)NCCn1cnc2c(N)ncnc21)C(C)(C)SN=O 28763215 FUIYPUFAHZLUIA-JTQLQIEISA-N 380.434 0.223 0 1 GCAF O=C(N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO)c1ccncc1 95676271 ZAWCCEHPCRSVNF-BZSNNMDCSA-N 391.468 0.653 0 1 GCAF COc1ccccc1CNC(=O)C[C@H]1C=C[C@H](NC(=O)CN(C)C)[C@@H](CO)O1 95678132 YJKUDHPPBXQQCK-SOLBZPMBSA-N 391.468 0.064 0 1 GCAF CNC[C@H]1Oc2ccc(NS(C)(=O)=O)cc2CC(=O)N([C@@H](C)CO)C[C@H]1C 95847409 XOTYHNIEAMYTDW-IIYDPXPESA-N 399.513 0.427 0 1 GCAF COC(=O)c1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1O 115073338 ZGLLAPIDFCDRSZ-UHFFFAOYSA-N 388.380 0.280 0 1 GCAF COC(=O)c1c(OC)c(C(=O)OC)c(C(=O)OC)c(C(=O)OC)c1C(=O)OC 215558027 QHCMEODBCDJZCI-UHFFFAOYSA-N 398.320 0.628 0 1 GCAF Cc1ccc(S(=O)(=O)NC[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2N2CCC(C)CC2)cc1 2356488183 BXROCECJPOFTLR-WJFTUGDTSA-N 398.525 0.494 0 1 GCAF NCC(=O)N[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 13650520 WQRWDCIVVUWKOU-SNVBAGLBSA-N 388.399 0.827 0 1 GCAF Cc1nc(NC(=O)Cc2ccccc2)sc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 72114380 UTPKXJCROVTSRO-DZQJYWQESA-N 394.449 0.148 0 1 GCAF CN(CC(=O)N1CCCCC1)C[C@H](O)Cn1c(=O)c2ccccc2n(C)c1=O 169325193 DTDBKNAJATWGBO-HNNXBMFYSA-N 388.468 0.005 0 1 GCAF COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 299844996 BITRTELPHIVTON-BAYHKCFCSA-N 386.445 0.450 0 1 GCAF C[C@]1(c2ccccc2)CC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O 473084161 FSZFOEQKVZQDPR-OAQYLSRUSA-N 393.447 0.842 0 1 GCAF O=C1NC(=O)[C@H]2[C@H]1C1(c3ccccc3)NC2(c2ccccc2)[C@@H]2C(=O)NC(=O)[C@H]21 4173757 HUIJEPIOIVWLJF-ORZPNOKPSA-N 387.395 0.172 0 1 GCAF CS(=O)(=O)N(CC(=O)O)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 28954058 YUHHWFRRCMUUPA-UHFFFAOYSA-N 382.181 0.374 0 1 GCAF CC(C)OCCCNc1cc(OCCN(C)C)nc(OCCCNC(=N)N)n1 40428974 UPVJNOPEERCGMD-UHFFFAOYSA-N 397.524 0.896 0 1 GCAF CC[C@H](C)[C@@H]1NC(=O)[C@H](N)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O 73311016 WSYGFEXDISPMTF-RANZSIQMSA-N 388.512 0.872 0 1 GCAF COC(=O)Cn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205985 GXDKUFOTJFNQNY-CHWSQXEVSA-N 399.407 0.740 0 1 GCAF CN(C)CCCNC(=O)C[C@@H]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](CO)O1 95676018 IHGRXRHOBYYXJU-KSZLIROESA-N 392.500 0.107 0 1 GCAF CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@]12C(=O)Nc1ccc(C)cc12 96908925 IHXFUZLNTISHLF-FQEVSTJZSA-N 398.371 0.805 0 1 GCAF C1CN(CC[C@]23O[C@@]4(CCN5CCNCC5)[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@H]2[C@H]3[C@H]4[C@H]62)CCN1 253651184 MKEJOUUDTKGSMG-CKKOXZPMSA-N 384.568 0.473 0 1 GCAF Cc1c(Cl)ccc2nc(C[C@@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c12 587220212 QPJGQRINXXALDP-MWLCHTKSSA-N 382.804 0.829 0 1 GCAF O=c1[nH]c(=O)n(CCCCN2CCN(c3ncccn3)CC2)c2c1CCCC2 13860437 ZMYHFZAJCCTFDP-UHFFFAOYSA-N 384.484 0.808 0 1 GCAF O=C1[C@@H]2Cc3nc[nH]c3[C@](c3cncnc3)(C(F)(F)F)N2C(=O)[C@@H]2CCCN12 963213163 GMHHABSXMWIKFA-MQIPJXDCSA-N 392.341 0.764 0 1 GCAF CNC(=O)c1n[nH]c(=NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O 1857621537 NAQXRHXESYEFJR-UHFFFAOYSA-N 389.437 0.754 0 1 GCAF CCO[C@@H]1S[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 2356737416 QTRWNIJHUWXNNR-DGADGQDISA-N 392.426 0.823 0 1 GCAF C#CCO[C@@H]1CCN2C(=O)[C@@H]3[C@H](NC(=O)c4ccc(OC)cc4)CCN3C(=O)[C@@H]12 25169027 XEEGJCQKVFZYQP-ZJPYXAASSA-N 397.431 0.027 0 1 GCAF biogenic CCCCNS(=O)(=O)c1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 36273957 GBSVVHYIGKSKJG-UHFFFAOYSA-N 391.453 0.706 0 1 GCAF O=C([C@@H]1C[C@H](N2CCN(c3nc4ccccc4[nH]3)CC2)CN1)N1CCSC1 84687265 TVLHLTARSTYOGC-YOEHRIQHSA-N 386.525 0.948 0 1 GCAF N[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(N5CCNC(=O)C5)cc34)n2)C1 205242378 ZMYRWIRGLSTTDU-ZDUSSCGKSA-N 392.467 0.884 0 1 GCAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(CO)O[C@H](CO)C2=O 587618537 UNCMNEISDMUUNL-GUXCAODWSA-N 384.340 0.929 0 1 GCAF Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@H](NCc3cccnc3)[C@H]2O)cc1 2356286834 ALUMZSNAEQXVDR-OKZBNKHCSA-N 377.466 0.586 0 1 GCAF COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=S)N(c3ccc(Cl)cc3)[C@H]12 2356835031 KNKMJCDXWJSQBE-KHMAMNHCSA-N 399.900 0.276 0 1 GCAF O=C(O)CSCC(=O)N1CC[C@H]2NC(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 25416109 LCQAQALEMVMZAC-BXUZGUMPSA-N 381.385 0.669 0 1 GCAF biogenic O=C(N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CC1 95903632 AKBNLSCHUNSEND-ARFHVFGLSA-N 378.473 0.865 0 1 GCAF C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC)[C@H]2N1C(=O)C1CC1 100142070 PWZYYMZVJGTKPX-HWAFCLSESA-N 385.464 0.918 0 1 GCAF CC1=C([C@H](C)CO)C[C@]2(O)[C@@]3(C)CC(=O)O[C@@]4([C@H](O)[C@H](C)CC[C@@]34O)[C@@]12O 257601053 WIFHAKQJYHVTQK-SQSGZDBLSA-N 382.453 0.025 0 1 GCAF endogenous,in-man OC[C@@]1(O)CO[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@@H]1O 299838600 NDPJAPVEHJGHOR-IAOVAPTHSA-N 391.815 0.705 0 1 GCAF CN1C(=O)[C@@H](NC(=O)c2nnn(Cc3ccccc3)n2)COc2ccccc21 1772602683 SDSKXUMJPYXQBG-AWEZNQCLSA-N 378.392 0.875 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3ccccc3Cl)[C@@H](O)[C@H]2O1 2356290209 LXPCFNBDTXSNCY-GJSASXELSA-N 398.887 0.868 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)[C@H](C)C2 2356512073 UQYNGSPDPASNLN-JJIVVXNOSA-N 380.437 0.037 0 1 GCAF COc1ccc(N2C[C@@H](O)c3cc(S(N)(=O)=O)sc3S2(=O)=O)cc1 2047853 ZWTSOJQGEWPWGO-LLVKDONJSA-N 390.464 0.646 0 1 GCAF CC(C)S(=O)(=O)n1c(N)nc2c1c(=O)n(CC1CC1)c(=O)n2CC1CC1 12405548 MYLOBMKMTNGKLK-UHFFFAOYSA-N 381.458 0.348 0 1 GCAF C[C@H]1O[C@H](n2cc(I)c3c(N)ncnc32)[C@H](O)[C@@H]1O 49110937 NTXUAWGNGBSCRS-QIDLLAIKSA-N 376.154 0.257 0 1 GCAF CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1 95885104 OSTXBBBXOSEBLK-TWMKSMIVSA-N 377.441 0.357 0 1 GCAF CN(C)CC(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO 95907372 RJRBPHDBUORXJM-LZLYRXPVSA-N 379.505 0.912 0 1 GCAF CN(CC(=O)N1CCCCC1)C[C@@H](O)Cn1c(=O)c2ccccc2n(C)c1=O 169325191 DTDBKNAJATWGBO-OAHLLOKOSA-N 388.468 0.005 0 1 GCAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 586947258 VHARNNQPBTXRDM-UHFFFAOYSA-N 394.478 0.904 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(F)cnc(Cl)c2[nH]1 587218092 FFGXJJHQJGPAGW-BQBZGAKWSA-N 387.755 0.575 0 1 GCAF OC[C@H]1O[C@H](Oc2ccc(C=Cc3ccc(O)cc3)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O 2356610172 VRXCSRLJRVQFIM-RMMWZPCPSA-N 390.388 0.447 0 1 GCAF OC[C@H]1O[C@@H](Oc2ccc(COCc3ccc(O)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O 85488831 URINFYYBTXOQCT-OUUBHVDSSA-N 392.404 0.288 0 1 GCAF biogenic,in-vitro Nc1nc2nc(C(=O)NCCNC(=S)Cc3ccccc3)cnc2c(=O)[nH]1 103235494 CXODYKJHHLOOEH-UHFFFAOYSA-N 383.437 0.185 0 1 GCAF COC(=O)[C@@H]1/C(=C2/C[C@@H](CI)OC2=O)O[C@@H]2CC(=O)N12 205377148 VZTMHDMZOMWRDY-UYZVBFMESA-N 393.133 0.121 0 1 GCAF COc1ccc(S(=O)(=O)N[C@H](c2nc3c(N)ncnc3[nH]2)[C@@H](C)O)cc1 586934249 DNOSGCWYGSPPPI-KCJUWKMLSA-N 378.414 0.344 0 1 GCAF Cc1ccc2c(ccc3nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c32)n1 587221944 RUBHPHAGHVGTTJ-SMDDNHRTSA-N 399.407 0.724 0 1 GCAF CN(C)C(=O)CNc1nc(-c2cccc3[nH]ncc23)nc(N2CCOCC2)n1 653737587 HCRNXJVGGUMDBV-UHFFFAOYSA-N 382.428 0.752 0 1 GCAF CN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(Cl)cc1 61949220 QTTPIJGLGLGIDK-SJBDTSRBSA-N 375.812 0.626 0 3 GCAF C[C@H](C(=O)O)[C@H]1Cc2c(cc3c(c2O)CN([C@@H](CCC(=O)O)C(=O)O)C3=O)O1 1555102 LUQQOGMISYEYQI-CQFDHEJISA-N 393.348 0.690 0 1 GCAF biogenic CN1C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 95892326 GNSBZHYLXFLADR-LNSITVRQSA-N 398.437 0.913 0 1 GCAF COc1cccc(-c2nc(-c3cnccn3)n([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)n2)c1 254127831 BVGMWMNHVBJEKV-LDDOYCOJSA-N 385.380 0.022 0 1 GCAF CN(CCc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O)C1CCCCC1 2356329894 BSLBPEWTGVVIQV-QSOKESPWSA-N 391.472 0.245 0 1 GCAF COc1cc(C=CC(=O)O[C@H]2[C@@H](O)[C@@H](OC(C)=O)[C@@H](C)O[C@H]2O)ccc1O 2356747524 BCCVUXNXLHXLEU-ASDZWLBLSA-N 382.365 0.356 0 1 GCAF O=C(O)c1cn(C2CC2)c2nc(N3C[C@H]4C[C@@H]3CS4(=O)=O)c(F)cc2c1=O 43076109 GIBXMYKSYPRTEE-NXEZZACHSA-N 393.396 0.944 0 1 GCAF CC[C@]1(O)C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 59696901 IYLGZMTXKJYONK-OZZRQTCFSA-N 395.452 0.958 0 1 GCAF CNC[C@@H]1Oc2ccc(NS(C)(=O)=O)cc2C(=O)N([C@H](C)CO)C[C@@H]1C 95849352 HMGKWXPABBQPJW-OZVIIMIRSA-N 385.486 0.498 0 1 GCAF C[C@@H]1CO[C@H]2C[C@@]34[C@@H]5C[C@@H](C(C)(C)C)[C@@]36[C@@H](OC[C@@H]6O)O[C@]4(C(=O)O5)[C@]21O 169355248 QOGPABQRGRYRDW-DZJVLQSESA-N 380.437 0.607 0 1 GCAF CC1CCC(NC[C@@H]2O[C@@H]3C[C@H](CC(=O)N4CCOCC4)O[C@@H]3[C@@H]2O)CC1 2356293367 GMWXJJGRSWZOQW-FNRFPBRMSA-N 382.501 0.689 0 1 GCAF CN1C[C@@H](NS(C)(=O)=O)CCC[C@@H](C(=O)N(C)Cc2cccnc2)CC1=O 2356351093 PWHXTOZCJNBCQV-CVEARBPZSA-N 396.513 0.606 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C(C)(C)C2 6070295 QFXWNTWJLHHEKX-UVNCQSPWSA-N 394.464 0.427 0 1 GCAF biogenic,in-vitro COc1ccc(CC(=O)N2CCN(C(C)=O)C[C@@H]2CN2CC[C@H](O)C2)cc1 26290311 KPROYTOCROSGBH-ROUUACIJSA-N 375.469 0.364 0 1 GCAF C[C@H](OC(=O)c1ccc(NC(=N)N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 27761288 AYKYHDWZQQKSPP-LRDDRELGSA-N 397.435 0.750 0 1 GCAF C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3C[C@H]4CC[C@@H]3C4)ncnc21 40423562 CYNWVQQNSGCUDM-UFSROFHWSA-N 375.429 0.428 0 1 GCAF Cc1cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c2ccnn2C)C(=O)O)c(C)c1 43121063 VMVJIFRMZYAOTM-CYBMUJFWSA-N 394.453 0.507 0 1 GCAF OC[C@@H]1O[C@H](n2cnc3c(NCc4ccc(F)cc4)ncnc32)[C@@H](O)[C@H]1O 45497510 VTIXNKKIYJGASE-MJFSBKNWSA-N 375.360 0.189 0 1 GCAF CN(C)CC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccccc2F)O[C@@H]1CO 95906995 RKEDVRHSWVNUQX-DJIMGWMZSA-N 381.448 0.418 0 1 GCAF CN(C)CC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO 95907247 MWWNFIBCXYYYCA-IKGGRYGDSA-N 397.903 0.933 0 1 GCAF Cn1nc(-c2cccnc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C 144082323 FGKGRFUSWDDSPS-UHFFFAOYSA-N 394.439 0.429 0 1 GCAF Cn1cnc(CNc2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)c1 205038303 BTIFBURGLVMGMV-QCDXTXTGSA-N 394.399 0.225 0 1 GCAF NC(=O)/C=C\C1=C(C(=O)O)N2C(=O)/C(=C/c3cccs3)[C@@H]2S(=O)(=O)C1 377811487 KPFKAVUJMJCDNV-YLNZQGMTSA-N 380.403 0.108 0 1 GCAF O=C(OC[C@H]1O[C@@H](Oc2ccccc2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 2356821764 GENDFVBPAOXEMO-OYNZLANYSA-N 376.361 0.436 0 1 GCAF COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 14696876 RRAAPFMUSSXYSV-KGLIPLIRSA-N 382.413 0.478 0 1 GCAF biogenic CCC(CC)CCNc1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 26574234 IHEQKVKBDRHZFL-VSBTWAGUSA-N 380.449 0.258 0 1 GCAF O=C([C@@H](O)CO)N1CC=C(c2c(F)cc(N3C[C@H](CO)OC3=O)cc2F)CC1 27412707 XTULQCXWAHKNLE-DOMZBBRYSA-N 398.362 0.251 0 1 GCAF CN(C)C[C@H]1CN(C(=O)Cc2nc(=O)cc(N3CCOCC3)[nH]2)c2ccccc21 68248357 SYULZYLLWJVGRP-HNNXBMFYSA-N 397.479 0.841 0 1 GCAF CC[C@@H]1O[C@H](OCCC=CC[C@@H]2C(=O)CC[C@@H]2CC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356347790 MUTMEENBPQXSKZ-IPFGCOBFSA-N 386.441 0.627 0 1 GCAF CC(C)NC(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@H](NC(=O)c3cccc(F)c3)CN12 2356822775 GFOCTAHGVITCRF-GVDBMIGSSA-N 390.459 0.802 0 1 GCAF CN1CCC(N2CCN([C@@H]3CN(Cc4ccccc4)S(=O)(=O)C3)CC2)CC1 96021056 JSCXNOJAYHYVDB-HXUWFJFHSA-N 392.569 0.912 0 3 GCAF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC(=O)C(=O)O)C(=O)O 28016762 NRDYYHPPTIOVET-KBPBESRZSA-N 378.381 0.127 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(Nc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O 49785064 SUFRPGTWZQQKIL-CGEWXTDFSA-N 377.788 0.835 0 1 GCAF COc1ccccc1CNC(=O)C[C@@H]1CC[C@@H](NC(=O)CN(C)C)[C@@H](CO)O1 95907102 RWNJDCVIKVVTPT-LZLYRXPVSA-N 393.484 0.288 0 1 GCAF OC[C@@H]1O[C@H](CNCc2ccccn2)[C@@H](N2CCN(c3ccccc3)CC2)[C@H]1O 2356587709 UWUPZQDVFGZLPC-MBDNFAEBSA-N 398.507 0.483 0 1 GCAF Cc1ncc(COP(=O)(O)O)c(CN[C@@](C)(CC(=O)O)C(=O)O)c1O 3870760 ZFKRUCNEKPIDBK-ZDUSSCGKSA-N 378.274 0.113 0 1 GCAF in-vitro NCCCNCCCNCCCNCCCCNC(=O)c1ccc(O)cc1 14443704 FNSLQOVDIZWBPS-UHFFFAOYSA-N 379.549 0.800 0 1 GCAF biogenic CC(C)(C)c1ccc2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2n1 587218875 IXQVMYBNCPHDKJ-GXSJLCMTSA-N 391.428 0.559 0 1 GCAF CCCC1(O)CN(C(=O)c2cnc(Oc3ccc4c(c3C)B(O)OC4)cn2)C1 1772589064 WVQLWUPIYYHAGK-UHFFFAOYSA-N 383.213 0.782 0 1 GCAF NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc3c2COC3=O)cc1 1857617290 SJCOPJVJWBIHQS-UHFFFAOYSA-N 391.409 0.375 0 1 GCAF CON1C(=O)[C@]2(C[C@H]3[C@H]4CO[C@H]2C[C@H]4[C@](CO)([C@@H](C)O)N3C)c2ccccc21 2356560576 VXXWDIZFWYSBQA-JLKQIICVSA-N 388.464 0.683 0 1 GCAF CC1=C[C@H]2O[C@@]3(CO[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CCC[C@@]3(C)[C@]2(C)CC1 2356801072 RHSWUVSQGOLHGB-SVCXGJEXSA-N 398.496 0.877 0 1 GCAF CO[C@@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]1C 7998270 RUSMFTAJZNEMBJ-VLXRUHNZSA-N 398.456 0.329 0 1 GCAF CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(C(N)=O)s3)c(F)c2)C(=O)O1 27409289 KIUXVJZYYKPPCR-VIFPVBQESA-N 379.373 0.904 0 1 GCAF CCN(CC)c1nc(C)c2[nH]c(SCC(=O)NCCCNC(=N)N)nc2n1 28640336 PXVSLDKXKCKKMR-UHFFFAOYSA-N 393.521 0.589 0 1 GCAF CC(C)c1c(O)n(Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2c1=O 34090828 FBQAGAJEWKTJJP-UHFFFAOYSA-N 395.419 0.924 0 1 GCAF O=C(CCN1CCCCC1)NCC[C@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1 95903737 HDMJUGRTWFBQSU-KURKYZTESA-N 381.517 0.803 0 1 GCAF COCC(=O)NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCN(C2=CC=C[CH]N2)CC1 2356531821 AVJGKLXPKGGOLG-CEXWTWQISA-N 388.536 0.240 0 1 GCAF COc1cc(O)c2c(c1)C1=C[C@@H]3O[C@](O)(C(=O)O)C[C@]3(O)C[C@]1(C)OC2=O 2356865675 VLBWUASOVMKUPK-BIMQEMHKSA-N 378.333 0.410 0 1 GCAF COC(=O)CN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 4009666 ILKZEPCDFDKVRT-IBGZPJMESA-N 398.375 0.260 0 1 GCAF N=C(N)NS(=O)(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 103286101 XGXQUKHCLZBZFG-UHFFFAOYSA-N 379.423 0.419 0 1 GCAF C[C@@H](Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 144459644 OCGZHKPNPRDDFQ-JBNUXVMWSA-N 386.412 0.193 0 1 GCAF CN1CCN(C(=O)[C@H]2CCC[C@H](NC3CCOCC3)CN(C)C(=O)C2)CC1 2356341056 FJKMLMWCJJSUDF-WMZOPIPTSA-N 380.533 0.546 0 1 GCAF COC(=O)[C@]1(O)C2=Nc3c(O)cccc3[C@]23C[C@@H]2C[C@@]4(C(C)=O)ON2[C@H]3C[C@H]41 2356866303 WOKHWNOEFGMQTE-KKJPUFJKSA-N 384.388 0.760 0 1 GCAF CS(=O)(=O)N1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@@H]2C1 4222699 MOGSOSIEXNNUKT-NSHDSACASA-N 388.243 0.487 0 1 GCAF biogenic Nc1nc(NCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 38796228 KVFIFVMFYLZJBZ-ZCTGUTNYSA-N 392.460 0.402 0 1 GCAF Nc1nc(NCC[C@H]2C=CCCC2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49110008 UECDEODSHCIWLV-CWFLGGNWSA-N 390.444 0.178 0 1 GCAF O=C(N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO)c1ccccn1 95905574 IMYXICHLXCMOQK-SOLBZPMBSA-N 391.468 0.653 0 1 GCAF CN1CCN(c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)CC1=O 205261839 WPAGZAPRFWIYJS-UHFFFAOYSA-N 392.467 0.708 0 1 GCAF CC[C@@H](C)c1cc(=O)c2c(O)cc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2o1 2356553686 BGZSARRGUKWEQW-ASJPZAPQSA-N 396.392 0.191 0 1 GCAF COc1cc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc2c1-c1ccc(O)cc1CC2 2356762471 ZSIKQGKOCFQUQO-GVVDHYSOSA-N 388.416 0.681 0 1 GCAF CC(C)[C@@H]1C(=O)C(C)(C)C(=O)N1C(=O)[C@H](C)[C@H](O)[C@H](C)NC(=O)[C@H](C)N(C)C 2356785693 ANARGESUVAEGNN-FQKPHLNHSA-N 397.516 0.427 0 1 GCAF O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@H](NC(=O)N3CCOCC3)CO[C@@H]12 2356826908 HLMNYKGUAHNUOL-FPCVCCKLSA-N 377.397 0.812 0 1 GCAF COc1cc(O)c2c(c1)C1=C[C@](O)(C[C@H](O)C(=O)O)[C@H](O)C[C@@]1(C)OC2=O 2356865044 WIZGYSRDXJJKDZ-DECQCQTCSA-N 380.349 0.045 0 1 GCAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@@H](NC(=O)Cc4cccs4)CO[C@H]32)nn1 25427806 CWHQHIXEZJFNQA-MXYBEHONSA-N 378.410 0.192 0 1 GCAF biogenic Cc1c(O)n(CCc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2c1=O 40631728 FAVGACQAPLITGC-UHFFFAOYSA-N 381.392 0.303 0 1 GCAF CCOCCC(=O)Nc1c2n(c(=O)n(CCN)c1=O)[C@H](c1ccccc1)CN2 82210249 HSDWGVCAGLQCBB-AWEZNQCLSA-N 387.440 0.349 0 1 GCAF OC[C@@H]1O[C@@H](c2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@@H]1O 85807777 ISYJYFWUXHMCFY-AWZNTLDCSA-N 390.388 0.489 0 1 GCAF in-man COC(=O)[C@H](Cc1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)C(C)(C)N 96937353 WBWPMSUWZHHWIA-ZDUSSCGKSA-N 380.397 0.475 0 1 GCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NCc3ccccc3)[C@@H](O)[C@@H]2O1 2356288394 CPKBFKVRSIREEE-AEXBHSQCSA-N 391.468 0.688 0 1 GCAF CNC(=O)[C@H](C1CCCCC1)N1CCC[C@@H]1C(=O)NCCN1CCOCC1 2356293714 JSCSJBSCJXELTF-MSOLQXFVSA-N 380.533 0.594 0 1 GCAF CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)NCCc2ccccc2)[C@@H]3C1=O 13132011 WEIBKKGWMUCHNS-VZRKHXGSSA-N 384.432 0.690 0 1 GCAF CNC(=O)COc1ccccc1OC[C@H](O)CNCCNC(=O)C(C)(C)C 27183691 FFEUFBVZIATOOH-CQSZACIVSA-N 381.473 0.303 0 1 GCAF CC(=O)Nn1c(=O)c2cc(F)c(N3CC[C@@H](N)C3)c(Cl)c2n(C2CC2)c1=O 28884703 WDBQSNSPKVQGLY-SECBINFHSA-N 395.822 0.918 0 1 GCAF CCOC(=O)CN1CCN(c2ncc(C)c(N[C@@H]3CCSC3=O)n2)CC1 82203596 IGOHPDBNARNOPS-CYBMUJFWSA-N 379.486 0.914 0 1 GCAF C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O[C@@H]1CN(C)C 95663336 MWWZDVMRDUNHCF-OGHNNQOOSA-N 399.513 0.840 0 1 GCAF CC=C(C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)[C@]3(O)[C@H](C)OC(=O)[C@H]3C)[C@H]12 2356632555 NRYICLSFNMBTFB-LZMFIQLBSA-N 395.452 0.814 0 1 GCAF CO[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1N 26185782 OCFVOHOLUYXSQZ-RYUDHWBXSA-N 387.421 0.703 0 1 GCAF CO[C@@H]1C[C@@H]2C(=O)N3CCN(C(=O)c4ccc(N(C)C)cc4)C[C@@H]3C(=O)N2C1 36364674 YKPXBRJQUKKJLG-BRWVUGGUSA-N 386.452 0.035 0 1 GCAF biogenic CN[C@@H](C)C(=O)N[C@@H]1CCCN(CC(=O)N[C@H]2CCc3ccccc3C2)C1=O 64460157 AOGUXYSOMCQNKB-JCGIZDLHSA-N 386.496 0.375 0 1 GCAF O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCCc1ccncc1 95904517 VVYNGGPXLPIKCY-IPMKNSEASA-N 396.447 0.640 0 1 GCAF CN1CCCN(c2cc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)CC1 145922129 NUXLYAVZLRYYEX-ZROIWOOFSA-N 396.455 0.626 0 1 GCAF CC(=O)c1ccc(O[C@@H]2O[C@H](COC(=O)c3ccco3)[C@@H](O)[C@H](O)[C@H]2O)cc1 299860001 GGAFGJBRCMKTKX-OGJJZOIMSA-N 392.360 0.526 0 1 GCAF C[C@H](O)CC[C@@H]1[C@H](C)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356401108 SWEFBSBXBXTOAX-VCWGJDBPSA-N 376.490 0.405 0 1 GCAF Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNC[C@@H](O)C3)n2)cn1 211013811 WHGGAJVOOZRMSO-MRXNPFEDSA-N 390.451 0.987 0 1 GCAF CO[C@H]1[CH][C@@H]2[C@@H](C[C@@H]3NCC[C@@H]4[C@H](OC)[C@@H]5OCO[C@@H]5[C@H]2[C@H]34)[C@H](O)[C@@H]1OC 255282945 YBNVSQNACNXKRY-FOAURVMPSA-N 382.477 0.212 0 1 GCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](O)[C@@H](CO)O[C@@H]2O)N1 587849145 JSRCHRSALOJIGT-YGBWTUHWSA-N 376.222 0.778 0 1 GCAF COc1ccc(CN2[C@@H]3C(=O)NC(=O)N(C)[C@@H]3N[C@@H]2n2nc(C)cc2C)cc1 618013473 ZWFMTGORDBNYRY-BQFCYCMXSA-N 384.440 0.946 0 1 GCAF COC[C@H](O)[C@H](OC)[C@H](OC)[C@@H](OC)[C@@H]1NCCc2c1c(C(C)C)nn2C 962913695 RCOIWYOUNVHOIH-QFHLCROWSA-N 385.505 0.783 0 1 GCAF CC[C@@H]1Cc2cc(O[C@H]3O[C@H](CO)[C@H](OC)[C@@H](O)[C@@H]3O)c(C)c(O)c2C(=O)O1 2356520756 YARHXHDQYZMBQS-FEWWODPBSA-N 398.408 0.025 0 1 GCAF O=S1(=O)C[C@H](N2CCSCC2)CN1Cc1cn(Cc2ccccc2)nn1 96020854 FPHTXIWPDYAYTM-QGZVFWFLSA-N 393.538 0.889 0 3 GCAF Nc1nc2c(ncn2C[C@@H](CO)C[C@@H](c2ccccc2)P(=O)(O)O)c(=O)[nH]1 1633679 LDONEGMWBLHASZ-JQWIXIFHSA-N 393.340 0.619 0 1 GCAF Nc1nc2nn(-c3cccc(C(=O)NCC4(O)CCCCC4)c3)nc2c(=O)[nH]1 13559927 SFGIDOHLHZXESF-UHFFFAOYSA-N 383.412 0.511 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)O[C@H]1[C@@H]2C[C@@H]3CO[C@@H]1[C@@H]3C2)c1ccccc1 26003063 BTBGNDKVXHABNK-VQPYYTDLSA-N 388.420 0.613 0 1 GCAF Nc1nc2nc(C(=O)NCc3cn(CCc4ccccc4)nn3)cnc2c(=O)[nH]1 84742216 HHQKPUNDXWJFRF-UHFFFAOYSA-N 391.395 0.060 0 1 GCAF C[C@]1(n2cnc3c(N)ncnc32)O[C@]2(C)CO[P@](=O)(O)O[C@]2(C)[C@@]1(C)O 95535345 HJLNFNLKJZMLQC-MQYQWHSLSA-N 385.317 0.527 0 1 GCAF CCS(=O)(=O)N[C@H]1C=C[C@H](CC(=O)NC2Cc3ccccc3C2)O[C@H]1CO 95908073 QHHHHVNBYYVCIB-SQNIBIBYSA-N 394.493 0.284 0 1 GCAF CC(C)(O[C@@H]1COC(=O)[C@@]1(C)O)[C@H](O)Cc1c(O)ccc2ccc(=O)oc12 2356402658 MVDZRRJNPJVSRY-LPMFXHHGSA-N 378.377 0.874 0 1 GCAF COC(=O)C1=C2Nc3ccccc3[C@]23[C@H](O)CN2CC[C@@H]4O[C@H](O)C[C@@]4(C1)[C@@H]23 2356553353 XGQIQGXMAMKNLB-PACMGQIYSA-N 384.432 0.723 0 1 GCAF COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCSCC2)c(OC)c1 39353820 BTLGFLJDPNLZGQ-MRXNPFEDSA-N 393.509 0.970 0 1 GCAF CCCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]21 95881778 XIODHUUFDRNNKZ-ONIAQPFYSA-N 384.436 0.852 0 1 GCAF CC(=O)O[C@H]1CC[C@H](N2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1 101545370 OJYXGJFSGZSAIZ-BETUJISGSA-N 375.429 0.518 0 1 GCAF NC(=O)CC1(NC(=O)c2cnc(N3CC(F)(F)C3)c(OCC3CC3)n2)COC1 219204723 PSJUKZIHVLIJAP-UHFFFAOYSA-N 397.382 0.095 0 1 GCAF C[C@@H]1O[C@H](OC(C)(C)[C@@H]2Cc3cc4ccc(=O)oc4cc3O2)[C@H](O)[C@@H](O)[C@H]1O 257437432 HOSJGHRJSDQCPE-AWFCHCGQSA-N 392.404 0.719 0 1 GCAF endogenous,in-man O=C([C@@H](CO)N1C(=O)CCC1=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1772574286 ZZKGUIIDTKEZLV-CQSZACIVSA-N 399.369 0.864 0 1 GCAF CN1[C@H](CCC(=O)N2CC[C@H](O)C2)CNC(=O)[C@H]2[C@H]1CCN2C1CCCCC1 2356845927 OIVQVUXHZJZMKY-AJYBTWMASA-N 392.544 0.566 0 1 GCAF NCCC[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O 13599923 OZPFXIPKGLHUDK-BBWFWOEESA-N 391.468 0.845 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(NCc4cccc(F)c4)ncnc32)[C@H](O)[C@@H]1O 49017567 IBJBZFQGRZQKKH-GDLHICMESA-N 375.360 0.189 0 1 GCAF Cn1c(Sc2ccnc(N3CCN(c4ccncc4)CC3)n2)nnc1C(N)=O 84741437 SLIBYLZSMREAOG-UHFFFAOYSA-N 397.468 0.577 0 1 GCAF CCOC(=O)[C@@H]1CNC(=O)[C@@]12N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962964004 XSEIVUNNDBITKD-HIETZZAVSA-N 388.754 0.722 0 1 GCAF CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)C[C@H]3O)c2o1 2356709178 QWGWBDLODSVMOL-XKLVTHTNSA-N 378.377 0.483 0 1 GCAF CC(=O)O[C@@H]1C2=C(C=C3C(=O)c4c(O)cccc4C(O)=C32)C(=O)[C@](C)(O)[C@H]1O 14594711 ORBJGHYACRGKCY-HOJAQTOUSA-N 384.340 0.721 0 1 GCAF biogenic CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O 28229553 OBKOPLHSRDATFO-JYJNAYRXSA-N 377.441 0.478 0 1 GCAF COC(=O)C1=C(C(=O)OC)[C@H]2Nc3ccccc3[C@]23C[C@@H](C(=O)OC)NC3=N1 66112554 DNGPMQFGLGNMBH-GEDNVKPRSA-N 385.376 0.266 0 1 GCAF C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2c(NS(C)(=O)=O)cccc2C1=O 95854043 NGOQGDZIZPAXSN-WWGRRREGSA-N 399.513 0.840 0 1 GCAF O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1)C1CC1 95904041 KCJLPEXOQNKRCT-SQNIBIBYSA-N 396.509 0.931 0 1 GCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](C)O)N1 587833885 PTGLJQVMVILWNZ-DYPLFLGXSA-N 378.238 0.627 0 1 GCAF COc1cc([C@@H](O)[P@](=O)(O)CC[C@@H](N)C(=O)O)ccc1OCC(=O)O 1772617352 LNLCIHWIBXKXQU-OTYXRUKQSA-N 377.286 0.222 0 1 GCAF COc1ccccc1CNC[C@@H]1O[C@@H]2C[C@H](CC(=O)NC(C)C)O[C@H]2[C@@H]1O 2356290153 KKZKDGZYVQRKBR-OKHRCBHESA-N 378.469 0.985 0 1 GCAF CC(C)CCc1ccc2[nH]cc(OC(=O)[C@@H]3O[C@](O)(CO)[C@@H](O)[C@H]3O)c2c1 2356325961 RWWPTAKOKCWUQF-MJQMVNBJSA-N 379.409 0.463 0 1 GCAF CCN(CC)C(=O)c1ccc2sc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nc2c1 61907746 JFZQUUNPVVQABB-DZQJYWQESA-N 396.465 0.293 0 3 GCAF CCn1c(=O)c2c(C)[nH]nc2c2cc3c(cc21)CN(S(=O)(=O)CCN)CC3 28957021 HZYVEXCCUZYBJA-UHFFFAOYSA-N 389.481 0.853 0 1 GCAF 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0.847 0 1 GCAF O=C(C[C@H](c1ccc(Cl)cc1)C1CC1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 299823923 BYDZAJFLFLXVGW-JSKKHFNMSA-N 385.844 0.140 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NCc3ccccc3)[C@H](O)[C@@H]2O1)NC1CC1 2356573054 YHJHGKCEZPNPLS-MQOOWTBDSA-N 389.452 0.440 0 1 GCAF CC(=O)N(C)C1CCC([C@H](C(=O)N(C)C)[C@H](N)C(=O)N2CC[C@H](F)C2)CC1 14963977 MJMKUVXOMGIKHO-LZYVMWMOSA-N 384.496 0.626 0 1 GCAF C[C@@H](CNC(=O)Cc1ccccc1)NC[C@H](O)COc1ccccc1C(N)=O 27181782 ZBGCGKSDSORCGM-RDJZCZTQSA-N 385.464 0.862 0 1 GCAF C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 39829005 LBSARGIQACMGDF-WBAXXEDZSA-N 383.448 0.873 0 1 GCAF CN(C)Cc1ccc(C(=O)OCCOCn2cnc3c(=O)[nH]c(N)nc32)cc1 72181109 WNZOPNWEGQVFCY-UHFFFAOYSA-N 386.412 0.595 0 1 GCAF CCN1C[C@@]2(C)[C@H](O)CC[C@]34[C@@H]5C[C@@H]6CC[C@@]5([C@H](C[C@@H]23)[C@@H]14)[C@@H](O)[C@]6(O)CO 2356493145 KEXOMXFRKYKFSR-FCFHUCOPSA-N 377.525 0.988 0 1 GCAF CCC(CC)C(=O)NC[C@@H]1O[C@H](CC(=O)NCc2cccnc2)[C@@H](O)[C@H]1O 2356561110 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CS(=O)(=O)N1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)[C@H]2C1 4235993 ZEMLBLQINDSYAF-CQSZACIVSA-N 375.406 0.985 0 1 GCAF biogenic COC(=O)[C@H]1CN(C(=O)N2CCOCC2)CCN1C(=O)c1ccc(OC)cc1 4270784 DUSXYMUTSGQCKG-MRXNPFEDSA-N 391.424 0.447 0 1 GCAF biogenic CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1 95885207 GUUCMTFKPISCEI-MXSMSXNCSA-N 391.468 0.747 0 1 GCAF CCOc1cc([C@H](O)[P@](=O)(O)CC[C@H](N)C(=O)O)cc([N+](=O)[O-])c1O 139076570 ZURCCCJDFZTXBT-ISVAXAHUSA-N 378.274 0.762 0 1 GCAF O=c1c2c(ncn2CCc2ccccc2)n(CCN2CCOCC2)c(=O)n1O 473090674 XDMUHKKYUNALHW-UHFFFAOYSA-N 385.424 0.172 0 1 GCAF Cc1cc([C@@H](O)[P@](=O)(O)CC[C@@H](N)C(=O)O)cc(C)c1OCC(=O)O 1772610882 HECCCCVGDLWFAY-ABAIWWIYSA-N 375.314 0.830 0 1 GCAF COC(=O)CNC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 4162582 OKSDTORCCDZDON-AWEZNQCLSA-N 388.376 0.453 0 3 GCAF aggregator CNc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@]2(COP(=O)(O)O)C[C@H]12 27635807 PYRJJXCDVGCPOH-SMWKGLLFSA-N 389.736 0.943 0 1 GCAF COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@@H]2[C@@H](CO)O1 95663557 IMIOHDVFACJXOK-QNDNMDDASA-N 378.425 0.744 0 1 GCAF O=C(C[C@H]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCCc1ccncc1 95907692 RUCVOXWJWAJZCT-GUDVDZBRSA-N 398.463 0.864 0 1 GCAF NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccn1)C(N)=O 96909411 RIUXOOXNMDPINR-WMZOPIPTSA-N 397.479 0.522 0 1 GCAF C[C@H]1[C@H](O)C(=O)[C@]2(C)C(CO)=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@]1(C(=O)C=O)CO1 238758039 MLIJBZORKJUODY-YUKAVGSDSA-N 380.437 0.195 0 1 GCAF NC(=O)c1cc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1O 299867067 PTKPTDXTAIIDLF-UHFFFAOYSA-N 386.412 0.016 0 1 GCAF CC(=O)c1cc2n(c1Br)[C@@H]1C[C@]3(O)[C@@H](NC(=O)N3C)[C@@H]1NC2=O 653739272 PQUPTPQVNRYPNS-RBQUTUCGSA-N 383.202 0.222 0 1 GCAF CCNC(=O)[C@@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@@H]1O 3874450 VVHDYJFDZYHAMR-XTDOFWJNSA-N 398.423 0.194 0 1 GCAF O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)N1CCN(c2ncccn2)CC1 4556096 FRVOSNZECGLZFQ-LVYXFOGZSA-N 395.463 0.713 0 1 GCAF COc1cc(O)c2c(c1)O[C@H]1[C@@H](O)Oc3cc(OC)c(OC)cc3[C@]1(O)C2=O 13403437 CJIMGNHPOXRALG-FHWLQOOXSA-N 390.344 0.960 0 1 GCAF CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@@H](C(=O)NCCC(C)C)[C@@H](O)[C@@H]1O 40939914 VWDBSJRMLYGOFR-KIGUWFBYSA-N 398.851 0.303 0 1 GCAF CCCC[C@H](CN(O)C=O)C(=O)N1COC[C@H]1C(=O)Nc1ccc(F)cn1 66080121 ZUQCANMCDYZJCI-OCCSQVGLSA-N 382.392 0.998 0 1 GCAF CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1 95887719 XTMFCURZJJHNFP-SRABZTEZSA-N 377.441 0.357 0 1 GCAF CN(C)CC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO 95907246 MWWNFIBCXYYYCA-BRWVUGGUSA-N 397.903 0.933 0 1 GCAF O=C(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1Oc1ccccc1CO)c1ccccc1 95919079 FWPNCAYVELBDRB-NUABRCLCSA-N 390.388 0.222 0 1 GCAF biogenic,in-vitro C[C@@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccccn2)C1=O 1857574283 YBOXDYNVUOQZKI-KRWDZBQOSA-N 388.405 0.379 0 1 GCAF CCC[C@@H]1O[C@H](CC(=O)O)C[C@]2(O)[C@H](CO)c3cccc(O)c3C(=O)[C@@]12O 2356341903 ZOGSLPLAVARIJR-XLVSEUFYSA-N 380.393 0.559 0 1 GCAF CC(C)[C@H]1C=C[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C=C[C@H](O)[C@@]2(C)C1 2356375250 WVAZFPRTVUSMPH-DTRVYOHYSA-N 398.496 0.204 0 1 GCAF CC1(C(=O)N2C[C@]3(CC(c4ccccc4)=NO3)C[C@H]2C(=O)NCC(N)=O)CC1 13478197 VECSNXXUTGLSNQ-YWZLYKJASA-N 384.436 0.552 0 3 GCAF COc1cc2[nH]c(=O)n(CCCC(=O)N3CCOCC3)c(=O)c2cc1OC 2461751 SZBHTOOMKUHRCS-UHFFFAOYSA-N 377.397 0.346 0 1 GCAF CC(=O)N/C=C/SC1=C(C(=O)O)N2C(=O)[C@@H]([C@@H](C)OS(=O)(=O)O)[C@@H]2C1 14766061 FQQFFZPBGYGDSX-VECYEBLVSA-N 392.411 0.062 0 1 GCAF in-vitro C=C(C)C(=O)O[C@@H]1C[C@@]23O[C@@H]2C[C@@H](CO[C@@H]3O)[C@@H]2O[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]12 16954932 IRVVOXJBCBJUTP-SBHUDMLVSA-N 378.377 0.236 0 1 GCAF biogenic CC(C)[C@H](N)C(=O)N[C@@H]1CC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O 28459945 QWLIXQAEMNLCQR-MHORFTMASA-N 386.496 0.924 0 1 GCAF CCC(CC)Nc1ncnc2c1ncn2[C@H]1O[C@@H](C(=O)N(C)C)[C@@H](O)[C@@H]1O 29409104 AZRMTKCPVIAZLZ-JRATXPSKSA-N 378.433 0.134 0 1 GCAF O=C1CCCN1CCN1CC=C(c2cnn([C@@H]3CCS(=O)(=O)C3)c2)CC1 67541410 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O=C1Nc2cc(Cl)ccc2C(=O)N2CCN(C(=O)[C@H]3CSCN3)C[C@H]12 25207356 YSYNERNKSNZDHO-CHWSQXEVSA-N 380.857 0.608 0 1 GCAF biogenic O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1OCCCN1CCN(c2ncccn2)CC1 28474105 YNKFXGPBJSWKHI-YVSFHVDLSA-N 383.452 0.727 0 1 GCAF Cc1cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c2cncnc2)C(=O)O)c(C)c1 43060967 RPCVIPLKZYASGI-CQSZACIVSA-N 392.437 0.563 0 1 GCAF COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C(=N)N)cc2)cc1OC 95566208 GAZYIRHLDBYLCW-UHFFFAOYSA-N 392.437 0.905 0 1 GCAF O=c1[nH]cnc2c1ncn2C[C@H]1COCC[C@H]1CC(F)(F)P(=O)(O)O 95575573 JNIMYYSKDBUOIP-IUCAKERBSA-N 378.272 0.933 0 1 GCAF C[C@@H](N1CCn2nncc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 169339803 SFMLXIYIPYHQDI-SJKOYZFVSA-N 375.383 0.940 0 1 GCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NCc4cnccn4)nc23)N1 205018670 CFHUUJKXRXOBTI-XGICHPGQSA-N 392.383 0.281 0 1 GCAF Oc1nc(O)c(I)c(-c2nc3c(O)nc(O)nc3[nH]2)n1 587181764 CGYSPZYRROKLBR-UHFFFAOYSA-N 388.081 0.237 0 1 GCAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](O)[C@@H](CO)O[C@H]2O)N1 587849137 JSRCHRSALOJIGT-BDJQBZAYSA-N 376.222 0.778 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCOCC3)[C@H](O)[C@@H]2O1)N1CCC(F)(F)C1 2356316389 FMZQURMPMOGGLE-GFISCPRKSA-N 390.427 0.299 0 1 GCAF OC[C@H]1O[C@H](Oc2ccc(O)cc2CCc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O 2356618841 LGJLOYKMPSDLGH-RMMWZPCPSA-N 392.404 0.062 0 1 GCAF COC(=O)C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 29400148 GZGAUPKYVDWVMJ-ZWNOBZJWSA-N 382.419 0.202 0 1 GCAF Cc1ccc(CCNc2ncnc3c2ncn3[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 49792761 WWZTVVGXJMDNAD-ZIGSKRJUSA-N 385.424 0.401 0 1 GCAF CC(C)NC(=O)NCC[C@H]1CC[C@H](NC(=O)CCN2CCCCC2)[C@H](CO)O1 95678427 JVYCUASVIANWPE-SQNIBIBYSA-N 398.548 0.985 0 1 GCAF CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@@]1(C)C[C@H](O)C4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O 103587039 PUJWFVBVNFXCHZ-BSHSSVDSSA-N 376.405 0.074 0 1 GCAF biogenic,in-vitro CCOC(=O)[C@@H]1[C@H]2C[C@]3(C[C@H]21)c1[nH]cnc1C[C@H]1C(=O)N2CCC[C@H]2C(=O)N13 963213085 GFFSNGRQZKPYDO-PDEFAWJMSA-N 384.436 0.582 0 1 GCAF CN(CO)Cc1csc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc12 1772631035 FYZFCLCVNWDVMC-UHFFFAOYSA-N 387.469 0.949 0 1 GCAF COc1ccc(CN2C(=O)[C@H]3C[C@@H](O)CN3C3(CN(CC(C)C)C3)C2=O)cc1 2356290718 AFXVKRXTXIJUMT-SJLPKXTDSA-N 387.480 0.710 0 1 GCAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)NCCN1CCOCC1 2356298686 UFIIGLJHQRTWOF-OTWHNJEPSA-N 397.633 0.835 0 1 GCAF CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC1=O 2356448437 DDXULJFDBNIPEQ-QMHWVQJVSA-N 394.516 0.558 0 1 GCAF OC[C@H]1O[C@@H](Oc2ccc(C=Cc3ccc(O)cc3)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O 2356610174 VRXCSRLJRVQFIM-UJMXGEILSA-N 390.388 0.447 0 1 GCAF CC(=O)NCCNC(=O)[C@@]1(C)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 61926615 ZEBNFYGMKAVUHF-HXUWFJFHSA-N 382.420 0.793 0 3 GCAF CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COCC2CCCCC2)[C@@H](O)[C@H]1O 71294396 QBTRCSBBDZVXOJ-LSCFUAHRSA-N 392.460 0.666 0 1 GCAF O=C(NC1CCCCC1)N[C@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO 95599878 RNIDAHWWXILMTD-YESZJQIVSA-N 381.473 0.552 0 1 GCAF Nc1n[nH]c(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)n1 1772605611 RDNDKGXDUZBRES-UHFFFAOYSA-N 381.234 0.877 0 1 GCAF O=C(Nc1ccc(Cl)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC2(CCNC2=O)CC1 1857553950 KIPCDHPKOSCDFJ-ZIAGYGMSSA-N 395.843 0.129 0 1 GCAF COCC(=O)N[C@@H]1CO[C@@H]2[C@H](OC(=O)Nc3cc(OC)cc(OC)c3)CO[C@@H]21 2356840823 MVAHBCMPEPEHTE-MUIFIZLQSA-N 396.396 0.550 0 1 GCAF NC(=O)/C=C\C(C[SH](=O)=O)=C(/Nc1c(C=O)cc2ccccn12)C(=O)O 53684059 ARSFRLAHCNFFCE-RZPMEUHXSA-N 377.378 0.155 0 1 GCAF in-vivo OC[C@@H]1O[C@H](c2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@H](O)[C@H](O)[C@@H]1O 85807768 ISYJYFWUXHMCFY-WDBJVYJMSA-N 390.388 0.489 0 1 GCAF endogenous,in-man CO[C@@H]1[C@@H]2[C@]3(O)[C@@](C)([C@]4(O)C[C@@]2(C)[C@@]2(O)CC[C@H](C)[C@@H](O)[C@]32O4)[C@@]1(O)C(C)C 255245413 NIWSYGGVEJKUFU-OLBWISTKSA-N 398.496 0.159 0 1 GCAF Nc1nc(-c2ccc(OC[C@H](O)CO)cc2)cn2c(=O)n(-c3ccccc3)nc12 1911579513 JGSJJZGTGOMAIC-OAHLLOKOSA-N 393.403 0.861 0 1 GCAF CCC(=O)[C@@]12N[C@H]3C[C@@]4(C(=O)N(OC)c5cc(OC)ccc54)[C@@H](OC[C@H]31)[C@@H]2O 2356485835 USWBRERBVGYKQZ-DWTVNJHTSA-N 388.420 0.310 0 1 GCAF CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc1 13143490 UNDMIJOXJYGGOU-DRABBMOASA-N 378.406 0.973 0 1 GCAF CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(C)=O 26647608 WJWATDVRWIHUJM-GVDBMIGSSA-N 378.535 0.903 0 1 GCAF COCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO 95677595 XHJSWNOOJCOHJI-OAGGEKHMSA-N 382.844 0.793 0 1 GCAF O=C(CN1CCOCC1)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO 95903430 DICINUGHTLCIMB-KSZLIROESA-N 397.516 0.040 0 1 GCAF CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1=O 140471280 DFIGPZLCCXTODT-UHFFFAOYSA-N 399.426 0.772 0 1 GCAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(CO)O[C@@H](CO)C2=O 587618535 UNCMNEISDMUUNL-FTRWYGJKSA-N 384.340 0.929 0 1 GCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)O)N1 587833886 PTGLJQVMVILWNZ-LJAVGWFDSA-N 378.238 0.627 0 1 GCAF CN1Cc2cc(C(=O)NCCNc3ncc[nH]3)ccc2N[C@@H](CC(=O)O)C1=O 29481253 VMCREQBBFYDYNW-AWEZNQCLSA-N 386.412 0.479 0 1 GCAF C[C@H]1CN(C(=O)c2ccn(C)n2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 96921532 DYNYBLGPTLDVGR-LBPRGKRZSA-N 388.453 0.832 0 1 GCAF CCN(C)[C@H]1CN(Cc2cn(Cc3ccc(OC)cc3)nn2)S(=O)(=O)C1 96020993 VBFJQDGJVVWGGK-INIZCTEOSA-N 379.486 0.801 0 3 GCAF CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@@H](O)[C@H]1NC(C)=O 27740538 BBDDLPOYPXNOTL-KBAYOESNSA-N 390.436 0.701 0 1 GCAF CO[P@@]1(=O)OC[C@H]2O[C@@H](n3cc(Br)c(=O)[nH]c3=O)C[C@@H]2O1 28246928 SIFAVWDRJZCICO-YUSKMRADSA-N 383.091 0.757 0 1 GCAF C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587836201 ZOBODWGQPKWUOT-DYADMRRISA-N 378.238 0.627 0 1 GCAF C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@]1(C)CCNC1)CC2 1772637157 ZYEIGCILXAGHKH-ZUOKHONESA-N 396.499 0.855 0 1 GCAF COc1c2c(cc3oc([C@@H](O)CCNC(=N)N)cc(=O)c13)O[C@@H](C(C)(C)O)C2 2356294823 ROQYMKZRAFQPBX-ZUZCIYMTSA-N 391.424 0.783 0 1 GCAF O=C(NC[C@@H]1CCCO1)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccccc1 4569023 VBFSOTVMIVMYDS-CABCVRRESA-N 395.481 0.251 0 3 GCAF OC[C@@H]1O[C@H](n2cnc3c(SCc4ccccc4)nc(F)nc32)[C@H](O)[C@H]1O 17013459 VCRUCRQMQNMLHN-VFFTVRQLSA-N 392.412 0.869 0 3 GCAF N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O 2530799 OKDNSNWJEXAMSU-SJORKVTESA-N 385.420 0.190 0 1 GCAF COc1cccc(N2C(=O)[C@H]3CN(C(=O)CCCC(=O)O)CCN3C2=O)c1 8295675 GKINZLYPCHTCHY-CQSZACIVSA-N 375.381 0.930 0 1 GCAF biogenic OC[C@H]1O[C@@H](n2cnc3c(NN4CCCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O 26579967 XHFCHAWBLYEVDE-SDBHATRESA-N 398.851 0.294 0 1 GCAF C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CC[C@H](O)[C@@H]3[C@@]1(C)CCC1=C[C@H](O)OC1=O 137887864 GMGAHTBITASRRA-MKFILLQLSA-N 378.421 0.826 0 1 GCAF biogenic O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(NC4CCNCC4)nc23)N1 205030171 QXMGXTIJONVBND-QPEQYQDCSA-N 382.428 0.648 0 1 GCAF Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(O)(CN)C3)n2)cn1 211024639 VAVQNJHKKJAMJE-UHFFFAOYSA-N 376.424 0.726 0 1 GCAF NS(=O)(=O)c1ccccc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 217041577 LMJASDFXANKVNH-INIZCTEOSA-N 389.477 0.483 0 1 GCAF CC(C)[C@H]1C=C[C@@H](CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C=C[C@H](O)[C@@]2(C)C1 238779405 WVAZFPRTVUSMPH-KOEMTLIBSA-N 398.496 0.204 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc3c(c2[nH]1)CCCC3)C(=O)O 587217339 BAEKPXFNDJWLAX-OCCSQVGLSA-N 388.424 0.746 0 1 GCAF Cc1c(Cl)ccc2nc(C[C@@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c12 587220210 QPJGQRINXXALDP-KOLCDFICSA-N 382.804 0.829 0 1 GCAF N[C@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587222224 RYAQMMKDSHCLPR-RNFRBKRXSA-N 388.302 0.284 0 1 GCAF C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587832206 ZOBODWGQPKWUOT-XXJULQFISA-N 378.238 0.627 0 1 GCAF O=C(O)Cc1c(CC(=O)O)c(O)n(-c2c[nH]cc(Br)c2=O)c1O 587940027 HGIVJQZBMOGVTI-UHFFFAOYSA-N 387.142 0.594 0 1 GCAF COC(=O)C(=O)C[C@]1(c2cnn(C)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962916240 CIWWBXURBYCFOG-SCLBCKFNSA-N 375.356 0.534 0 1 GCAF CCN(CC1CCCCC1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 1772583301 DZAYJPVGZMWXBO-NVQRDWNXSA-N 390.488 0.930 0 1 GCAF Cc1c(C(=O)N2CCC3(CCNC3=O)CC2)cnn1-c1nc(=O)c2cccn2[nH]1 1857584103 DYBMKOBRUCYWCO-UHFFFAOYSA-N 395.423 0.259 0 1 GCAF Cc1noc(C)c1NC(=O)N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@H](O)[C@@H]1O 2356305239 DGJVGNPNRZKFLO-AVRGHOLYSA-N 376.417 0.692 0 1 GCAF Cc1cc(C[C@H](C)O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c2c(=O)cc(C)oc2c1 2356391583 SXMCJMTVWGEXOY-AYGDJGOXSA-N 394.420 0.157 0 1 GCAF COc1cc(C=CC(=O)O[C@H]2C[C@H]3[C@H](O)[C@H](O)[C@@H](C2)N3C)cc(OC)c1OC 2356459543 QXVXOQRJFUTTHT-HOLCHWMESA-N 393.436 0.836 0 1 GCAF C[C@H](O)[C@]1(O)CC[C@]2(O)[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3[C@H](O)[C@@]2(O)[C@H]1C 2356575057 ZLZZQGBYLLCLRA-VIZBGUKWSA-N 382.497 0.479 0 1 GCAF COc1ccc(C[C@@H]2NC(=O)[C@H]3CN(C(=O)c4ccco4)CCN3C2=O)cc1 4260198 BJIZJENKWRFTHR-JKSUJKDBSA-N 383.404 0.682 0 1 GCAF biogenic CN[C@@H](C)C(=O)N1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@H]2C1 25207569 TYLDFVVBSAYYTR-TVQRCGJNSA-N 395.257 0.662 0 1 GCAF biogenic Cn1c(=O)c2c(nc3n2CCCN3CCNCc2ccc(F)cc2)n(C)c1=O 28872471 DTBOBWZNRBAPON-UHFFFAOYSA-N 386.431 0.573 0 1 GCAF O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCOCC2)O1)NCC1CC1 95887259 NCINSYYDRJCYKJ-LWYYNNOASA-N 396.528 0.939 0 1 GCAF CN(C)CC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 95894341 GCNNVXDGYWQKMM-NLWGTHIKSA-N 380.448 0.959 0 1 GCAF COc1ccccc1N1CCN(CCCCCn2ncc(=O)n(C)c2=O)CC1 146032143 YEJKTKYCAOZNLH-UHFFFAOYSA-N 387.484 0.943 0 1 GCAF CCOC(=O)C1[C@@H]2CC3(C[C@@H]12)c1[nH]cnc1C[C@H]1C(=O)N2CCC[C@H]2C(=O)N13 963213088 GFFSNGRQZKPYDO-ZOTMUBLFSA-N 384.436 0.582 0 1 GCAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@H](NC(=O)c4ccc(OC)cc4)CO[C@@H]32)nn1 2356868720 XEYDHSPDICDMRT-KLHDSHLOSA-N 388.380 0.211 0 1 GCAF O=C1Nc2ccccc2-n2nnnc2[C@H]1N1CCN(C(=O)c2ccco2)CC1 199242194 XRMYMBIIFBRBBK-OAHLLOKOSA-N 379.380 0.707 0 3 GCAF COc1ccc(CCNC(=O)CN2CC(=O)N3CCC[C@H]3C2=O)cc1OC 6847086 RARDPLCASIMNBG-AWEZNQCLSA-N 375.425 0.196 0 1 GCAF COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)CN(C)C)c1=O 25426175 LCYBHALAVBZOFH-KGLIPLIRSA-N 376.457 0.331 0 1 GCAF biogenic CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccc4c(c3)OCO4)[C@@H]2SC1 27408394 APIJQNGYGVYKQR-MKBNYLNASA-N 391.405 0.174 0 1 GCAF O=C(OCO[P@](=O)(O)CCN1CCCNc2c1c(=O)c2=O)c1ccccc1 40412414 LFXVAGFBHLIDHA-UHFFFAOYSA-N 394.320 0.921 0 1 GCAF Cc1cc2c(c(C)c1CCO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)[C@H](C)C2 238752345 UQYNGSPDPASNLN-ZEJMRTRHSA-N 380.437 0.037 0 1 GCAF endogenous,in-man COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](O)[C@H](O)CO)[nH]c2c1 586893398 XRGYOXJBJXFQHE-GDBMZVCRSA-N 393.421 0.759 0 1 GCAF C=CC(=O)N1CCC[C@@H](n2nc(-c3cc(C=O)n(C)n3)c3c(N)ncnc32)C1 1857544273 RWXMDUDUQFCLOW-LLVKDONJSA-N 380.412 0.971 0 1 GCAF COc1ncccc1CNC[C@@H]1O[C@@H]2C[C@H](CC(=O)NC3CC3)O[C@@H]2[C@@H]1O 2356288730 JRXQDJKLIFHKMM-XHHISWJOSA-N 377.441 0.134 0 1 GCAF CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@@H]1O 2356319566 NCUNKLXSWYADDS-ONCXSQPRSA-N 390.480 0.831 0 1 GCAF O=C(O)[C@@H]1CCCN2CC[C@H](N[C@H](CCc3ccccc3)C(=O)O)C(=O)N12 13599962 BQCCHANYSPTLJA-XHSDSOJGSA-N 375.425 0.727 0 1 GCAF OC[C@@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 36272008 ZYNGQOBUZLONDV-XGFPXAKYSA-N 399.407 0.374 0 1 GCAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N[C@@H](C(=O)NCCc2ccncc2)[C@@H]1CO 95880905 ABRYQSCSBMDOOT-YSOBQINASA-N 394.475 0.887 0 1 GCAF O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(CCc3ccc4c(c3)OCO4)c(=O)c12 137078234 XVIOCXDSONLCQP-UHFFFAOYSA-N 379.328 0.301 0 1 GCAF C1CN(CC[C@]23O[C@]4(CCN5CCNCC5)[C@@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@@H]53)CCN1 169299221 MKEJOUUDTKGSMG-MYMCPUEXSA-N 384.568 0.473 0 1 GCAF NS(=O)(=O)c1ccc(CCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 586929639 GKEISPGYQYJXFJ-UHFFFAOYSA-N 380.451 0.643 0 1 GCAF CS(=O)(=O)c1ccc(CN[C@@H]2CO[C@@H](CNC(=O)C3CCCC3)[C@@H]2O)cc1 2356309102 AAQMYXGDTZFTOP-FGTMMUONSA-N 396.509 0.614 0 1 GCAF CC1=C[C@H]2O[C@@]3(CO[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CCC[C@@]3(C)[C@@]2(C)CC1 2356801071 RHSWUVSQGOLHGB-OCBUSJJZSA-N 398.496 0.877 0 1 GCAF COCCCN1C(=O)[C@H](CC(=O)NC2CC2)CC(C(=O)N2CCOCC2)=C1C 95604648 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CCC(CC)CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 13815099 IKTDJUXXBREHIR-XNIJJKJLSA-N 381.433 0.225 0 1 GCAF O=Cc1ccc(OCC(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(Cl)CS[C@H]23)cc1 29571170 NOQKFOMWHDBZQE-IUODEOHRSA-N 396.808 0.813 0 1 GCAF NS(=O)(=O)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Cl)c1 113208709 WZVAULHJNFGOBR-UHFFFAOYSA-N 393.788 0.315 0 1 GCAF C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605858 BEKFJEHPEIOIAV-YESFKKOSSA-N 376.361 0.186 0 1 GCAF Cc1c(C(=O)N2CC[C@@H](N3CC[C@H](F)C3)C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857585000 MXQVGHMDTGXXKL-UONOGXRCSA-N 399.430 0.775 0 1 GCAF CC(=O)N1CCC(N[C@@H]2[C@H]3CO[C@@H](O3)[C@H](n3cnc4ccccc43)[C@@H]2O)CC1 2356636206 ZHRWLRNUANBIDI-WAPOTWQKSA-N 386.452 0.663 0 1 GCAF CN(CCO)C(=O)c1[nH]cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 61921619 GVBVCJCPSNDARM-UHFFFAOYSA-N 381.433 0.167 0 3 GCAF CN(CC(=O)N1CCC(CC(=O)O)CC1)C(=O)c1ccc(NC(=N)N)cc1 26255908 IFACYMDBFQCAQV-UHFFFAOYSA-N 375.429 0.777 0 1 GCAF CNc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@]2(CO)C[C@H]12 27636352 JBPZNHLPOYFQSQ-SMWKGLLFSA-N 389.736 0.943 0 1 GCAF C[C@H](NC(=O)Cc1cccnc1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21 28899640 VAYYYCIYWDRNOL-SCLBCKFNSA-N 379.420 0.792 0 1 GCAF CN(C)CC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccccc2F)O[C@@H]1CO 95906991 RKEDVRHSWVNUQX-HYVNUMGLSA-N 381.448 0.418 0 1 GCAF O=C1[C@@H]2[C@@H](C(=O)N1OC[C@H](O)CN1CCN(c3ccccc3)CC1)[C@H]1C=C[C@H]2C1 100602765 GHDNAOMLMMZWQC-LERVOYGESA-N 397.475 0.908 0 1 GCAF Nc1nc(N)c2c(-c3cc4ccccc4o3)cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 103249492 JCVRTONDDIVPDW-SCFUHWHPSA-N 397.391 0.620 0 1 GCAF CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)O)cc1 169691450 UNDMIJOXJYGGOU-YIKOMLBNSA-N 378.406 0.973 0 1 GCAF COc1cccc(-c2nc(-c3cnccn3)n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)n2)c1 254127830 BVGMWMNHVBJEKV-BASYENTBSA-N 385.380 0.022 0 1 GCAF COC1CN(c2ccc(C(=O)NC3(CC(N)=O)COC3)nc2OCC2CC2)C1 473166215 DVRPSQSROOCQMI-UHFFFAOYSA-N 390.440 0.080 0 1 GCAF CC1(C)C=Cc2c(ccc3c2NC(=O)[C@]3(O)C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)O1 2356820496 FLUQNCQLNBDSSR-RXSFTSLZSA-N 397.431 0.890 0 1 GCAF N=C(N)c1ccc(CNC(=O)C[C@@H]2OCCN(Nc3cccc(N)c3)C2=O)cc1 13526735 BCCMTJJJFNGTRV-KRWDZBQOSA-N 396.451 0.814 0 1 GCAF O=C(NCCNC[C@H](O)COc1cccc2c1OCCO2)c1ccc(O)cc1 29214921 QSXQCVIDNTUQLR-INIZCTEOSA-N 388.420 0.923 0 1 GCAF C[C@@H]1N[C@H](CNC(=O)c2cccc3c2C(=O)c2ccccc2-3)[C@@H](O)[C@H](O)[C@@H]1O 58651056 NQPIYVRYYGVNCF-KOOFZGQNSA-N 382.416 0.071 0 1 GCAF in-vitro Cc1cn([C@H]2C[C@H](NC(=O)c3c[nH]c4ccccc34)[C@@H](CO)O2)c(=O)nc1O 473136942 VLRYMVRBWXZWIG-ARFHVFGLSA-N 384.392 0.817 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc3c(c2[nH]1)CCCC3)C(=O)O 587217338 BAEKPXFNDJWLAX-JSGCOSHPSA-N 388.424 0.746 0 1 GCAF Oc1ccccc1CCN=c1nc(N2CCOCC2)[nH]c(N2CCOCC2)n1 1857603961 ZMJLPEAVMGPSHR-UHFFFAOYSA-N 386.456 0.327 0 1 GCAF CCCCN1C(=O)[C@@H]2C[C@H](O)CN2C2(CN(Cc3ccc(F)cc3)C2)C1=O 2356289960 FDCIPLHJWBPYED-IRXDYDNUSA-N 375.444 0.984 0 1 GCAF Cc1nccn1[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O 2356296970 PDPNMJALEITJQG-SFFUCWETSA-N 393.465 0.411 0 1 GCAF COC[C@@H]1C(=O)[C@@]23[C@H]4O[C@H]5O[C@@]2(O)[C@H](O)[C@@H]2C(C)(C)CC[C@H](O)[C@]52[C@H]3CC[C@H]41 2356418830 YJQFQYKJRHXIQA-LVCFRMDFSA-N 394.464 0.446 0 1 GCAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(N4CCNCC4)nc3)c2n1 95594414 RYSDMBBJASPMTK-UHFFFAOYSA-N 397.487 0.767 0 1 GCAF C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O[C@@H]1CN(C)C 95849417 MWWZDVMRDUNHCF-GDZNZVCISA-N 399.513 0.840 0 1 GCAF COC(=O)[C@@]1(CC(=O)c2ccn(C)n2)NCCc2ccc(C(=O)N(C)C)cc21 962928636 SGZFQPYIQJPRNN-FQEVSTJZSA-N 384.436 0.909 0 1 GCAF CNc1ncc2c(n1)N1CCC[C@H]1CN(c1cncc3c(=O)n(C)cnc13)C2=O 1772610455 WONFAXPVDHZEMN-NSHDSACASA-N 392.423 0.789 0 1 GCAF CCC(CC)O[C@@H]1C=C(C(=O)N[C@H](C(=O)O)C(C)C)C[C@H](N)[C@H]1NC(C)=O 1857630444 XPVQAQNKOLGKPP-VVLHAWIVSA-N 383.489 0.948 0 1 GCAF Cn1ccnc1CN[C@@H]1C[C@H](COc2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@@H]1O 2356289932 DSXOENKFJKOSNJ-DGCUDZEOSA-N 395.481 0.103 0 1 GCAF COc1cc2c(cc1OC)[C@H](CNC(=O)CNC(=O)[C@H](N)C(C)C)N(C)CC2 2356855224 RAVTVYGYRMZHSJ-HNAYVOBHSA-N 392.500 0.449 0 1 GCAF CNCc1cn(C[C@H]2C[C@H]3CCN2C[C@H]3C(=O)N2CCC(C(=O)O)CC2)nn1 2356865457 WLBZGKOGPBMAEK-DJIMGWMZSA-N 390.488 0.031 0 1 GCAF O=C(C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1)NC1CCC1 95903661 RQCGLZCALDVTRY-BHYGNILZSA-N 398.456 0.847 0 1 GCAF CC(=O)[C@@H]1C[C@H]1C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C 95912307 IBNSTGIITWSRAW-BAVSQXHGSA-N 384.469 0.533 0 1 GCAF biogenic,in-vitro NC(=O)[C@]1(N)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 101228624 ZQNAOVMGZRNBRV-WGCAESBKSA-N 385.464 0.139 0 1 GCAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 169317665 GHDNAOMLMMZWQC-DLRXZHIHSA-N 397.475 0.908 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)OCO3 587218509 HEKSLIFCJFNCAI-YUMQZZPRSA-N 378.341 0.116 0 1 GCAF CCCCc1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)NCCNC(C)=O)nn1 2356299569 DTXWRQAEWJXMGT-BPQIPLTHSA-N 376.505 0.583 0 1 GCAF CO[C@@H]1[C@H](O)C[C@]23CC(=O)N(C)[C@@]24C[C@@H](O[C@@]14OC)c1cc2c(cc13)OCO2 2356340464 PNGVVIBGSJGXTG-KYTGVIALSA-N 389.404 0.851 0 1 GCAF O=C(N[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2n1cc(-c2ccccc2)nn1)N1CCOCC1 2356809024 AMRJFARSPBWGJD-BDXSIMOUSA-N 385.424 0.694 0 1 GCAF OC[C@@H]1O[C@H](n2cnc3c(NC4Cc5ccccc5C4)ncnc32)[C@@H](O)[C@@H]1O 25992573 NKTIWTYWGRTWOE-YBKUAAOGSA-N 383.408 0.017 0 1 GCAF O=C(O)Cc1cccc2c1Cc1c-2[nH]c(=O)c2nc(CP(=O)(O)O)cn12 28760540 LVNRYPQTOSSNTA-UHFFFAOYSA-N 375.277 0.899 0 1 GCAF O=C(C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1nccs1 95676120 BGYIYMFDHNUKRK-MCIONIFRSA-N 383.470 0.923 0 1 GCAF COc1ccc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3NC(C)=O)ccc2c1 253770480 GFSIFEXCCUQDFW-ICBNADEASA-N 377.393 0.171 0 1 GCAF CCCc1c(O)ccc2c1O[C@](CO)(CN[C@@H]1CCS(=O)(=O)C1)CC2=O 587492467 PNFVKUTZQNPRFH-XIKOKIGWSA-N 383.466 0.818 0 1 GCAF C[C@@]1(CC(=O)N2CCNC(=O)C2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962729280 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PBNWDRCPPPEMNH-SJORKVTESA-N 399.538 0.093 0 1 GCAF CN(C)c1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 299828459 WAPRZXMDBFBKTQ-UHFFFAOYSA-N 386.500 0.610 0 1 GCAF Nc1ccc(Cc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cn1 587254172 IPDPXEAMGPBZMH-UHFFFAOYSA-N 380.452 0.881 0 1 GCAF CN1[C@H]2CCN(C3CCOCC3)[C@H]2C(=O)NC[C@H]1CCC(=O)N1CCCC1 2356865068 WJHNETFBHAJTFG-ZIFCJYIRSA-N 378.517 0.441 0 1 GCAF C=CCNC(=O)N[C@@H]1C[C@@H](C(=O)N[C@@H](C(=O)OC)C(C)C)N(C(=O)C2CC2)C1 25166359 RHTJXDOWDKKIRJ-QLFBSQMISA-N 394.472 0.165 0 1 GCAF biogenic CC(C)C[C@H](C)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 27213627 PUZQCAIXBLYSBU-VBQJREDUSA-N 392.500 0.434 0 1 GCAF CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49792544 FGKVHIWRQYXTOC-KKOKHZNYSA-N 397.236 0.358 0 1 GCAF O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCc1ccncc1 95676222 ZNNAKNJWDLOPKK-KSZLIROESA-N 389.452 0.315 0 1 GCAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(O)ncnc3[nH]2)[C@@H](C)O)cc1 586935137 JTGAFQWOUDOAPM-LDYMZIIASA-N 379.398 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397.435 0.927 0 1 GCAF C=CCO[C@@H]1CCN2C(=O)[C@@H]3CN(C(=O)c4ccc(OC)cc4)CCN3C(=O)[C@@H]12 25416543 SXKOUHKPTGEEKB-RCCFBDPRSA-N 399.447 0.534 0 1 GCAF biogenic N[C@@]1(C(=O)O)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 29483187 GUTDXUSSQDIAEW-STSJCENXSA-N 386.448 0.738 0 1 GCAF CCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(C)cc(OC)n1 39619412 RFHMTMUDPYWOSX-UHFFFAOYSA-N 398.401 0.214 0 1 GCAF O=c1ccn(Cc2cn(CCCCC(F)(F)P(=O)(O)O)nn2)c(=O)[nH]1 84670188 TWWIAYDDFPNIBV-UHFFFAOYSA-N 379.260 0.117 0 1 GCAF CC(C)CNC(=O)[C@H]1O[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O 96941744 XWJSXVWOPYDBCF-ZQDZILKHSA-N 397.472 0.133 0 1 GCAF CC1(C)S[C@@H]2[C@@H](NC(=O)[C@H](N)c3ccc4c(c3)CCO4)C(=O)N2[C@H]1C(=O)O 299846047 COYRKOYHQSMYGA-LMOYCYGVSA-N 391.449 0.253 0 1 GCAF CN(CC(=O)N1CCC(OCC(=O)O)CC1)C(=O)c1ccc(C(=N)N)cc1 26255229 GZCPYGMUWFKMGZ-UHFFFAOYSA-N 376.413 0.135 0 1 GCAF CC(=O)O[C@H]1CO[C@@H](Nc2ccc(C(=O)O)cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 28761462 AWKBHLIGHXPDOV-YLFCFFPRSA-N 395.364 0.948 0 1 GCAF CCCc1c(O)n(-c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2c1=O 34090815 HDJPOPKIMFNLIT-UHFFFAOYSA-N 381.392 0.694 0 1 GCAF COCC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO 95677597 XHJSWNOOJCOHJI-JYJNAYRXSA-N 382.844 0.793 0 1 GCAF CC(=O)N1[C@@H]2c3cccc(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccc(F)cc1 95881076 HRITWVXZUJWQAQ-SMMRIJLZSA-N 399.422 0.814 0 1 GCAF O=C(NC1CCCCC1)N[C@@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@H]1CO 95907804 WOVGJBDURFNDFR-ZACQAIPSSA-N 383.489 0.776 0 1 GCAF Nc1nc2[nH]c(CCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2c(=O)[nH]1 103278180 DSEZCYKANVEUMR-NSHDSACASA-N 393.400 0.371 0 1 GCAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](C)O)N1 587829012 PTGLJQVMVILWNZ-PCJHKHGQSA-N 378.238 0.627 0 1 GCAF CCN(CC)C(=O)[C@@H]1S[C@@H]2N[C@H](CSc3nc(N)n[nH]3)NC(=O)[C@H]2[C@H]1C 618014411 OKBBIUCWXFSXIJ-CDPPZIPSSA-N 399.546 0.087 0 1 GCAF Cc1csc(CNC(=O)CC[C@@H]2C(=O)N[C@H](N3CCOCC3)N[C@@H]2C)n1 618015017 MIHODIPQMRRNKL-IIYDPXPESA-N 381.502 0.188 0 1 GCAF 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COc1cc(O)c2c(c1)[C@H]1O[C@@H]([C@H](O)C=CC[C@H](C)OC2=O)[C@H](O)C[C@H]1O 2356539211 GNDKUQOAVULHDO-MKFZZHTLSA-N 380.393 0.819 0 1 GCAF COC[C@H](OC)[C@](COC)(CO[C@@H]1O[C@H](C)[C@H](OC)[C@H](OC)[C@@H]1OC)OC 2356638247 WSWUBQXBQBTOJS-HFQDVCRHSA-N 396.477 0.486 0 1 GCAF COCCNC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 95907846 LSZBVVJSMSSYDQ-DJIMGWMZSA-N 398.481 0.111 0 3 GCAF Nc1nc(N)c(-c2ccc(Br)cc2)c(CC[C@H](O)[C@@H](O)CO)n1 28648519 IUAGAKHMGONNCS-RYUDHWBXSA-N 383.246 0.717 0 1 GCAF Cc1cccc(N2C(=O)C(Cl)=C(N3CCN(CCOCCO)CC3)C2=O)c1 64474594 QWBUDBWLGQXCTR-UHFFFAOYSA-N 393.871 0.945 0 1 GCAF O=C(C[C@H]1CC[C@@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccncn1 95905412 DDMOSXHNDSWOGY-KZNAEPCWSA-N 384.436 0.821 0 1 GCAF CNC(=O)c1c(NC(=O)c2nc(OC)cnc2Nc2cncnc2)cnn1C 169701876 ZZDFLQKSOHAIMN-UHFFFAOYSA-N 383.372 0.364 0 1 GCAF CCCNC(=O)N[C@@H]1C[C@H](COc2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@@H]1O 2356319800 GRKZTAVOWNKSQB-RAEVTNRLSA-N 386.470 0.288 0 1 GCAF CNCc1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)N2CCC(C(=O)O)CC2)nn1 2356865458 WLBZGKOGPBMAEK-HYVNUMGLSA-N 390.488 0.031 0 1 GCAF Cc1c(Sc2ccccc2)n(COCCN2CCNCC2)c(=O)[nH]c1=O 22874921 RKLDKWNKGMLKOE-UHFFFAOYSA-N 376.482 0.876 0 1 GCAF CCNC(=O)[C@@H]1O[C@@H](n2cnc3c(NC(CC)CC)ncnc32)[C@@H](O)[C@@H]1O 29407440 KDKRQJIYAKIOMH-APNQJHFZSA-N 378.433 0.182 0 1 GCAF COc1cc([C@H](O)[C@H](CO)Oc2ccc(C[C@H](O)CO)cc2OC)ccc1O 39032470 PRWONPKNTLADRL-GKCIPKSASA-N 394.420 0.778 0 1 GCAF biogenic CC(C)[C@@H](N)C(=O)OCN1C(=O)CC[C@@H](N2C(=O)c3ccccc3C2=O)C1=O 40676964 CDFDXHJVZKXONN-UKRRQHHQSA-N 387.392 0.284 0 1 GCAF COC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C 70463053 UUDITCQIVHGHRN-IJEWVQPXSA-N 397.476 0.501 0 1 GCAF CCS(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](CO)O1 95678164 NFMKQITUWMOCLJ-OAGGEKHMSA-N 376.519 0.921 0 1 GCAF CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CCOCC2)O1 95885440 UCOGFCCFBHACTI-VVLHAWIVSA-N 384.473 0.027 0 1 GCAF O=C(Cn1c(=O)n(-c2ccc3c(c2)OCO3)c2ncccc21)N1CCOCC1 139092063 JGVASLJAPGCDPR-UHFFFAOYSA-N 382.376 0.775 0 1 GCAF COc1cc2c(cc1OC)[C@H]1C[C@H](N)[C@@H](N3CCCS3(=O)=O)CN1CC2 169723098 CCTPKHROVIWMRG-XHSDSOJGSA-N 381.498 0.738 0 1 GCAF CC[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCNC1 1772657243 KDWJAPQYWQLZLJ-HXUWFJFHSA-N 396.499 0.857 0 1 GCAF CC(=O)OC[C@H]1O[C@H](NS(=O)(=O)c2ccc(O)cc2)C=C[C@H]1OC(C)=O 1857560109 OQMLCDBLTFXKNA-OAGGEKHMSA-N 385.394 0.446 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3cccs3)[C@@H](O)[C@@H]2O1 2356290248 MNQGQIVEWBGAKO-YYFFNPIBSA-N 399.469 0.308 0 1 GCAF CC[C@@H]1O[C@H](OCCC=CC[C@@H]2C(=O)CC[C@@H]2CC(=O)O)[C@H](O)[C@@H](O)[C@H]1O 2356347785 MUTMEENBPQXSKZ-CVGVLIAESA-N 386.441 0.627 0 1 GCAF OC[C@@H]1O[C@H](n2cnc3c(SCc4ccccc4)nc(F)nc32)[C@@H](O)[C@H]1O 1580815 VCRUCRQMQNMLHN-SDPXSBNPSA-N 392.412 0.869 0 3 GCAF CC1(C)O[C@@H]2[C@H](CCP(=O)(O)O)O[C@@H](c3nc(C(N)=O)cs3)[C@@H]2O1 1584526 SOEARYYVKAIDJY-SGIHWFKDSA-N 378.343 0.770 0 1 GCAF CC1(C)CNC(=O)[C@@]2(CCCO2)CNC(C)(C)CNC(=O)[C@@]2(CCCO2)CN1 5741503 YCZKKAACHGXNQZ-WOJBJXKFSA-N 396.532 0.067 0 1 GCAF CC(=O)NCSC[C@H](CO)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82089311 NPUARQRDWRIGRM-LBPRGKRZSA-N 393.421 0.988 0 1 GCAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CN(S(C)(=O)=O)C1 95796190 BCRKTINDIWABMN-HNNXBMFYSA-N 379.482 0.679 0 1 GCAF CC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)C3=C[C@H]4C=NN[C@@H]4N=C3)CC1)C2 261186365 XPBFKHLWNBYPAN-GUYCJALGSA-N 395.467 0.653 0 1 GCAF COc1ccc(Cn2cc(C(=O)NCCNC(=N)N)nn2)cc1Br 653780352 FQBABSCDOXCMLX-UHFFFAOYSA-N 396.249 0.310 0 1 GCAF CCCCN1C(=O)[C@H]2C[C@H](O)CN2C2(CN(Cc3cccc(F)c3)C2)C1=O 2356605677 NUUOLKSFVCHVHL-DLBZAZTESA-N 375.444 0.984 0 1 GCAF Nc1nc(N2CCN(Cc3csnn3)CC2)nc2nc(-c3ccco3)nn12 13581775 RJORFDZLKBGWOF-UHFFFAOYSA-N 384.429 0.535 0 1 GCAF C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H]1O 36272781 HMZVDTCSZNNZJH-HCDGYZIZSA-N 399.407 0.573 0 1 GCAF CN(C)CC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccccc2F)O[C@H]1CO 95907047 JPCYXULXKAYANI-OIISXLGYSA-N 379.432 0.194 0 1 GCAF O=C(NC1=NC=N[C@H]2C1=C1CCCN1[C@]2(O)N1CCOCC1)c1ccccc1 103170073 AJZNZZOIWBXPSF-FXAWDEMLSA-N 381.436 0.567 0 1 GCAF CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NCCc2ccccc2)[C@@H]3C1=O 13132013 WEIBKKGWMUCHNS-QTQZEZTPSA-N 384.432 0.690 0 3 GCAF NCCCC[C@H](NC(=O)CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)C(=O)O 45386236 GQBUUYSHDHXERG-JTQLQIEISA-N 395.851 0.674 0 1 GCAF CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccncc2)O1 95887333 JDHZCDHPHAWVKT-VVLHAWIVSA-N 377.441 0.309 0 1 GCAF O=C(C[C@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)NCc1ccc2c(c1)OCO2 95887819 YFRMSEXFMHDWES-JTOWHCCKSA-N 378.425 0.319 0 1 GCAF CCS(=O)(=O)N[C@@H]1C=C[C@H](CC(=O)NC2Cc3ccccc3C2)O[C@H]1CO 95908070 QHHHHVNBYYVCIB-KURKYZTESA-N 394.493 0.284 0 1 GCAF C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc21 261088250 CYNWVQQNSGCUDM-NFTIPNEESA-N 375.429 0.428 0 1 GCAF CC(C)(C)CC(=O)NC[C@@H]1OC[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@@H]1O 2356353434 NZTCSRMJFQIAMY-BQFCYCMXSA-N 398.525 0.860 0 1 GCAF CC(=O)OC[C@](O)(OC(C)=O)[C@@H]1CC[C@]2(C)[C@H](O)CC[C@](C)(O)[C@]2(C)[C@@H]1O 2356353555 QIGUPGWBVOCQPH-BGCLXERISA-N 388.457 0.490 0 1 GCAF O=C(N[C@@H]1CO[C@H]2[C@@H](n3cc(-c4ccccc4)nn3)CO[C@@H]21)N1CCOCC1 2356809026 AMRJFARSPBWGJD-XDNAFOTISA-N 385.424 0.694 0 1 GCAF COC(=O)CCC(=O)N[C@@H]1c2cccc3cccc(c23)Cn2c(=O)n(C)c(=O)n21 1652849 KSQBEQYLWTZYAJ-SFHVURJKSA-N 396.403 0.480 0 1 GCAF COC(=O)[C@@H]1Cc2ncn(C)c2CN1S(=O)(=O)c1ccc(NC(C)=O)cc1 15676542 BHQGARLXKOFROD-HNNXBMFYSA-N 392.437 0.667 0 1 GCAF biogenic O=c1[nH]c(=O)n([C@@H]2[C@@H](F)[C@H](CO)[C@@H]2CO)cc1/C=C/I 28228860 DYXMGIDYALLYFN-NAAIYZQTSA-N 396.156 0.052 0 1 GCAF Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccccc3)O2)c(=O)[nH]c1=O 28864437 QQEMCRHFEXEXKS-MJBXVCDLSA-N 376.438 0.480 0 1 GCAF COC(=O)CN1CCCO[P@@]1(=O)COCCn1cnc2c(N)ncnc21 45316589 AYNMEKMGHLJWLV-SANMLTNESA-N 384.333 0.471 0 1 GCAF OC[C@H]1O[C@H](n2cnc3c(N[C@@H]4CCc5cc(O)ccc54)ncnc32)[C@H](O)[C@@H]1O 48998465 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GCAF CC(=O)CC(=O)NCCNC(=O)c1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 587649786 BOEIYSPWAGQGOO-UHFFFAOYSA-N 379.438 0.705 0 1 GCAF CC=C(C)C(=O)O[C@@H]1C[C@@H]2[C@H]3C[C@@H](CN2C(=O)[C@@H]1O)[C@H]1C[C@H](OC)CCN1C3 2356544013 YVQJCCQBPAKQKB-WPBMYMEWSA-N 392.496 0.955 0 1 GCAF NC(=O)C1CCN(C(=O)CC[C@H]2N=C3c4ccccc4NC(=S)N3C2=O)CC1 2965563 JXCZPPWBKXCDTI-CQSZACIVSA-N 399.476 0.859 0 1 GCAF NC(=O)/C=C/C1=C(C(=O)O)N2C(=O)/C(=C/c3cccs3)[C@H]2S(=O)(=O)C1 27995747 KPFKAVUJMJCDNV-TURWKLCDSA-N 380.403 0.108 0 1 GCAF CCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O 82235518 XVSPDPSMVKQJLV-QGZVFWFLSA-N 388.468 0.698 0 1 GCAF NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(O)(c3ccccn3)CC2)cc1 169322916 WMVKPFDBODOLKS-UHFFFAOYSA-N 397.478 0.401 0 1 GCAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)N1 587829014 PTGLJQVMVILWNZ-XWHKZRHZSA-N 378.238 0.627 0 1 GCAF CC(C)[C@@H](N)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]2OC[C@@H](c3ccccc3)O[C@H]12 653693463 VGUWBHGUCAMMKR-IVEHAJSJSA-N 381.425 0.116 0 1 GCAF C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@]13CNC[C@H]1C3)CC2 1772620477 NNZOLRRAFSANRY-KBARZSOFSA-N 394.483 0.465 0 1 GCAF Cn1cc(CNC(=O)C[C@@H]2C[C@@H]3O[C@H](CNC4CCCCC4)[C@@H](O)[C@H]3O2)cn1 2356290102 JPCBXLKJJOHEHL-OIGVQNGMSA-N 392.500 0.635 0 1 GCAF COc1cc(C=CC(=O)O[C@@H]2[C@H](C)O[C@H](O)[C@@H](O)[C@@H]2OC(C)=O)ccc1O 2356565242 SQIGDVPANOZNPA-GHNKSPDDSA-N 382.365 0.356 0 1 GCAF CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1 29053871 GODOPFWVPRSNPU-FJJYHAOUSA-N 378.447 0.102 0 1 GCAF CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)NCCC 95880004 PKLZZUQICAYBSH-IRWJRLHMSA-N 376.457 0.458 0 1 GCAF O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1)N1CCN(c2ncccn2)CC1 101183673 FRVOSNZECGLZFQ-LAQRGFTBSA-N 395.463 0.713 0 1 GCAF CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)NCCc2ccccc2)[C@@H]3C1=O 169303500 WEIBKKGWMUCHNS-NWUWZPLHSA-N 384.432 0.690 0 1 GCAF C[C@@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2nccs2)C1=O 1857562711 GTEVOBBNXYPRET-HNNXBMFYSA-N 394.434 0.440 0 1 GCAF CC(=O)c1c(C)cc2cccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2c1O 1857624287 FZUPKYUANHOYBD-AQYDBVOLSA-N 378.377 0.235 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3ccc(F)cc3)[C@@H](O)[C@@H]2O1)NC1CC1 2356289574 XIRGVVKUYVRVHV-KCEFYPGHSA-N 393.415 0.902 0 1 GCAF CC(C)C(=O)O[C@@H]1[C@@H](O)O[C@H](CO)[C@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C 2356506682 NVEWKQZGZJWFKH-MTVAPTMQSA-N 390.429 0.399 0 1 GCAF COc1cc(C=CC(=O)O[C@@H]2[C@H](O)O[C@H](C)[C@H](O)[C@H]2OC(C)=O)ccc1O 2356560073 NIFRPWXJGCHSOO-OIKDDEPBSA-N 382.365 0.356 0 1 GCAF O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc21)N1CCCC1 5058866 NXKZRECMJHXDRI-UHFFFAOYSA-N 393.465 0.819 0 3 GCAF COc1ccc(C[C@H]2NC(=O)[C@@H]3CN(C(=O)C4CCCC4)CCN3C2=O)cc1 25221281 UFWYSSWOWIDQHR-MSOLQXFVSA-N 385.464 0.966 0 1 GCAF biogenic CC(=O)NC[C@H]1CN(c2ccc(O[C@H]3CCN(C(=O)CO)C3)c(F)c2)C(=O)O1 29544273 UYGQOVCQQUAMCT-KBPBESRZSA-N 395.387 0.259 0 1 GCAF CCc1nc(C(=O)N(C)CC(=O)OCCOCCN2CCNCC2)cs1 82073933 FCVJWSWNOSYQSN-UHFFFAOYSA-N 384.502 0.243 0 1 GCAF 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CN1C=N[C@@H]2[C@H]1C(=O)N(CCCCc1ccc3c(O)nc(O)nc3n1)C(=O)N2C 587558955 VNLIZAMUDCNJCA-JSGCOSHPSA-N 399.411 0.321 0 1 GCAF CCN(CC)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)NCCN1CCOCC1 2356298684 UFIIGLJHQRTWOF-FHWLQOOXSA-N 397.633 0.835 0 1 GCAF O=C(NC[C@@H]1OC[C@H](N(Cc2cnc[nH]2)Cc2cnc[nH]2)[C@@H]1O)c1ccccc1 2356340292 LNAADUNQEUGZDT-FHWLQOOXSA-N 396.451 0.693 0 1 GCAF OC[C@H]1O[C@H](Oc2ccc(CCc3cccc(O)c3)cc2)[C@@H](O)[C@H](O)[C@H]1O 2356452219 JHFXNBPGAUTJBY-RMMWZPCPSA-N 376.405 0.356 0 1 GCAF COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](O)[C@H](N)CCCCN 13451217 CGMUBURMPMVFHE-PVAVHDDUSA-N 376.457 0.185 0 1 GCAF C[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)C[C@]2(CO2)C(=O)[C@H](C)[C@H](O)[C@@H]1C 34235925 PFDLUBNRHMFBGI-FFZKXKSRSA-N 386.485 0.923 0 1 GCAF biogenic COc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H]2O)cc1 48998625 OCCHDTZLVAQBNC-RSUWNVLCSA-N 387.352 0.282 0 1 GCAF O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](CO)O1)c1cnccn1 95903352 GFEYRJOTZRKGCS-ZMSDIMECSA-N 376.457 0.811 0 1 GCAF COC(=O)C1=CO[C@H](O)[C@@H]2C(CO)=C[C@@H](OC(=O)C=Cc3ccc(O)cc3)[C@@H]12 2356328965 NGBISIYSMBMXDF-UIXUWTQFSA-N 388.372 0.887 0 1 GCAF CN1CCC(N2CCN([C@H]3CN(Cc4ccccc4)S(=O)(=O)C3)CC2)CC1 96021057 JSCXNOJAYHYVDB-FQEVSTJZSA-N 392.569 0.912 0 3 GCAF N=C(N)c1ccc(C(=O)NCCC(=O)N2CCC(OCC(=O)O)CC2)cc1 26255011 GRLLIGPPGPFJLT-UHFFFAOYSA-N 376.413 0.183 0 1 GCAF CC(C)C[C@H](NC(=O)c1cc(=O)[nH]c(O)n1)C(=O)N[C@H](CC(C)C)C(=O)O 28011815 XMOWUVZINCCFOM-CMPLNLGQSA-N 382.417 0.236 0 1 GCAF O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@H](CO)O2)cc1-c1sccc1Br 40498182 WTPCEGWZXOSLSS-KXUCPTDWSA-N 389.227 0.668 0 1 GCAF COCCNC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 95907844 LSZBVVJSMSSYDQ-BHYGNILZSA-N 398.481 0.111 0 1 GCAF N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cc3ccccc3)CS[C@H]12)C1CC1 169344257 ZOMUXEMDIZGEAH-HBUWYVDXSA-N 387.461 0.705 0 1 GCAF NC(=O)/C=C\C(C[S@]([O])=O)=C(/Nc1c(C=O)cc2ccccn12)C(=O)O 410428669 ZEZKZXSNVZLMTH-RZPMEUHXSA-N 376.370 0.638 0 1 GCAF in-vivo N[C@@H](N=O)c1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2c1 587224322 YVUYLZCMMUXBNS-PWZJLYFZSA-N 392.372 0.111 0 1 GCAF Cc1cc(O)cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1Cc1ccc(O)cc1 2356396313 HGAMPZKZWSNZHB-UJMXGEILSA-N 392.404 0.176 0 1 GCAF O=C(NCCO)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 4547803 PLUKWJWFFOMKBE-NVXWUHKLSA-N 376.457 0.765 0 1 GCAF CC(C)NC(=O)NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 95798490 QYIDETKDHTZXMS-OIISXLGYSA-N 399.513 0.971 0 1 GCAF CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CCOCC2)O1 95885438 UCOGFCCFBHACTI-VQHPVUNQSA-N 384.473 0.027 0 1 GCAF COc1ccc(Cc2nc3cncnc3[nH]2)cc1S(=O)(=O)N1CCOCC1 586957327 YPSBPJLRKSMBBU-UHFFFAOYSA-N 389.437 0.973 0 1 GCAF CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H]3CC=C(C)[C@H]2C3(C)C)[C@@H](OC(C)=O)[C@H](O)[C@H]1O 2356397125 HNOAGZCLPDPBHX-GANAWGCLSA-N 398.452 0.935 0 1 GCAF CC1(C)O[C@@H]2O[C@@H](COc3nc(N)nc4[nH]cnc34)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 13475168 JYCGZVPVCFOJMF-RFJHXUTISA-N 393.400 0.710 0 1 GCAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@@H](NC(=O)c4ccc(OC)cc4)CO[C@H]32)nn1 25413613 XEYDHSPDICDMRT-JJXSEGSLSA-N 388.380 0.211 0 1 GCAF biogenic CC(=O)N[C@@H]1[C@H](O[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)[C@H](O)[C@H]2CO[C@@H]1O2 64513055 DYUGRDJIBYOMFE-CQOYYJRQSA-N 392.408 0.222 0 1 GCAF Cn1c(=O)c2c(ccn2CC(=O)Nc2ccc(N3CCOCC3)cc2)n(C)c1=O 82155800 WOLZAQMWHLQQJB-UHFFFAOYSA-N 397.435 0.514 0 1 GCAF O=C(N[C@@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1cccc(F)c1 95675536 BVKYPNZNGBYIEE-ZACQAIPSSA-N 380.416 0.713 0 1 GCAF CCOC(=O)C[C@H](NC(=O)[C@@H](N)C(C)C)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC 98084065 VZWUEEMBFVEBOP-AHDJHLLFSA-N 388.461 0.299 0 1 GCAF O=c1[nH]cnc2c1c(-c1cc3ccccc3o1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 103249471 PBBMHZDLZGJACE-NVQRDWNXSA-N 383.360 0.749 0 1 GCAF CCCC[C@H]1[C@@H]2C[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@](C)([C@H]1O)C2(C)C 2356360657 KZVURNVUGCMDSM-PMPONKHRSA-N 388.501 0.405 0 1 GCAF COC(=O)[C@@H]1C[C@@]2(O)[C@H](O)[C@H](O)[C@H](O)C[C@H]2N1Cc1ccc(C(C)(C)C)cc1 13660946 GDSSZEZXASQCJN-VCIRBXAFSA-N 393.480 0.318 0 3 GCAF O=C(O)CN1CCN2CCCCCCCCN(CC1)CCN(CC(=O)O)CC2 22039990 GWOCADJLDQSWMA-UHFFFAOYSA-N 398.548 0.731 0 1 GCAF CCNC(=O)[C@@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@@H](O)[C@H]1O 36272795 KKOVVDNJUPCRKX-KYZVSKTDSA-N 390.444 0.326 0 1 GCAF COc1cc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)cc(OC)c1 102972923 OTVHUVBFCLOWCA-KPJFGDCZSA-N 396.447 0.759 0 1 GCAF O=C(O)[C@H]1C(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)[C@@H]1C(=O)O 587971248 XHJDCJIHSACEPH-STQMWFEESA-N 395.393 0.083 0 1 GCAF Cc1c(NC(=O)COC(=O)c2ccc[nH]c2=O)c(=O)n(-c2ccccc2)n1C 8801801 YPVVQFFKBWEEJH-UHFFFAOYSA-N 382.376 0.968 0 3 GCAF CCCCCCc1nc(N)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1 13759778 HXBNUMFVVMKQDN-MOROJQBDSA-N 392.460 0.287 0 1 GCAF Nc1nc(Sc2ccccc2)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 29401434 ICYRARAHDADHPZ-XDYICZGBSA-N 375.410 0.171 0 1 GCAF C[C@H]1O[C@@H](n2cnc3c(N)nc(O[C@@H]4CC(F)(F)C4(F)F)nc32)[C@H](O)[C@@H]1O 73223055 BRGKIZPCCMIWNW-QWEIRQIHSA-N 393.297 0.469 0 1 GCAF COC(=O)C(=O)C[C@@]1(c2cnn(C)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962916241 CIWWBXURBYCFOG-UGSOOPFHSA-N 375.356 0.534 0 1 GCAF Cc1c(C(=O)N2C[C@H]3CC(C(N)=O)C[C@@H]3C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857577583 QCARHZSFXNCYDX-CHWSQXEVSA-N 395.423 0.100 0 1 GCAF COc1ccc(CN2C(=O)[C@@H]3C[C@H](O)CN3C3(CN(CC(C)C)C3)C2=O)cc1 2356290719 AFXVKRXTXIJUMT-WMZOPIPTSA-N 387.480 0.710 0 1 GCAF CN(CCc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)C1CCCCC1 2356329893 BSLBPEWTGVVIQV-NOCIGQNYSA-N 391.472 0.245 0 1 GCAF O=C(c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)N1CCCC1 4004277 JAYYVWSLVCCJHX-UHFFFAOYSA-N 391.449 0.785 0 3 GCAF C[C@H]1CNc2c(NCc3ccoc3)c(=O)n(CCN3CCOCC3)c(=O)n21 82210949 QDJANMGOIGERQB-ZDUSSCGKSA-N 375.429 0.534 0 1 GCAF O=C([C@@H]1CCC2(CCN(c3ncnc4[nH]cnc34)CC2)NC1)N1CCOCC1 96911008 JXAQJMJGGVSLQP-CQSZACIVSA-N 385.472 0.550 0 1 GCAF O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1-c1cscc1Br 169715086 BKJOSZFLRXVYPW-MXWKQRLJSA-N 389.227 0.668 0 1 GCAF CC(C)[C@@]1(O)CC(=O)[C@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@]13C)[C@@H](O)[C@H](C)CC[C@@]42O 257445106 IJPNDQQOKFKBRG-FDNJPAJESA-N 382.453 0.311 0 1 GCAF endogenous,in-man CN(c1ncnc2[nH]ccc12)[C@H]1CC[C@H](CS(=O)(=O)N2CC(O)C2)CC1 261079706 BNNLGUBCCBEOHK-JOCQHMNTSA-N 379.486 0.959 0 1 GCAF N#CN1CC[C@@H](N2CCN(c3ccc(N4CCOCC4)cc3)S2(=O)=O)C1 1857558615 OVAPHICAPMKEGP-QGZVFWFLSA-N 377.470 0.445 0 1 GCAF Nc1ncnc2c1c(-c1cc3ccccc3cn1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1857579093 OIIZUVIBUVVTOY-WVSUBDOOSA-N 393.403 0.840 0 1 GCAF CN(C)CCN(C)[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H]1O 2356868233 WZQZUNJKBDVYDM-UUAJXVIYSA-N 382.436 0.294 0 1 GCAF Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC[C@H](O)CO)c2c1=O 115622464 NUVHJVIVLZTGDF-LBPRGKRZSA-N 385.424 0.383 0 1 GCAF NS(=O)(=O)c1cc(Cl)c(S(=O)(=O)N2CCOCC2)c(Cl)c1 169315744 YOSNRJUUOIUXLF-UHFFFAOYSA-N 375.255 0.662 0 1 GCAF O=C(OC[C@H]1O[C@H](Oc2ccccc2CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 2356662808 HHSKNLJWHGXWPK-GJNTUIEKSA-N 390.388 0.222 0 1 GCAF COC(=O)[C@]1(C)N[C@H](CN(C)C(=O)C2CCCCC2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 61947238 AGYRHKOOXTVGTP-ZYKCCNLVSA-N 379.457 0.160 0 3 GCAF COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2nc(C)n3ccccc23)n1 103185163 VDKVBTHCJSNUED-UHFFFAOYSA-N 392.397 0.960 0 1 GCAF CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1c1ccccc1)C(=O)NCCCCN=C(N)N 218442861 QPTUHOWJFHOYCQ-YESZJQIVSA-N 389.500 0.827 0 1 GCAF COc1cc2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2cc1C 587222844 UQTFBOPCQICRPF-VHSXEESVSA-N 378.385 0.184 0 1 GCAF Cc1c(C(=O)N2CCN(C(=O)C3CC3)CC2)cnn1-c1nc(=O)c2cccn2[nH]1 1857591219 DTTPUXHNKYFONW-UHFFFAOYSA-N 395.423 0.211 0 1 GCAF CC(=O)OC[C@](O)(OC(C)=O)[C@@H]1CC[C@]2(C)[C@H](O)CC[C@](C)(O)[C@@]2(C)[C@H]1O 2356353557 QIGUPGWBVOCQPH-IZGRHMBUSA-N 388.457 0.490 0 1 GCAF O=C(Cn1nccn1)Nc1cc(C(=O)c2cn(CCO)c3ccncc23)ccn1 1772657209 DRIKDXORYBTXKN-UHFFFAOYSA-N 391.391 0.885 0 1 GCAF Cc1[nH]c(=O)c(C(C)C)nc1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)O 2356422735 UWRBCOGQVDTYGV-NEPJUHHUSA-N 380.445 0.936 0 1 GCAF O=C(OCc1ccccc1)c1ccccc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356466466 HHCASPHQHZVTKM-GJNTUIEKSA-N 390.388 0.222 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3CCC(F)(F)CC3)[C@@H](O)[C@H]2O1 2356503891 XPOHKXZUDWVIEA-CTTHAOKLSA-N 392.443 0.592 0 1 GCAF COCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCCC[C@H]3C)ccc2c1=O 4791889 IMJBPVZXDLXQOY-CQSZACIVSA-N 388.468 0.940 0 1 GCAF C[C@@H]1O[C@H](n2cc(I)c3c(N)ncnc32)[C@@H](O)[C@@H]1O 14824311 NTXUAWGNGBSCRS-AJRXIIKVSA-N 376.154 0.257 0 1 GCAF biogenic COc1ccc(CC(=O)N2CCN(C(C)=O)C[C@H]2CN2CC[C@H](O)C2)cc1 26282779 KPROYTOCROSGBH-MSOLQXFVSA-N 375.469 0.364 0 1 GCAF CC(C)[C@]1(O)CC(=O)[C@@]2(C)C[C@@]3(O)O[C@]4(C(=O)[C@]31C)[C@@H](O)[C@@H](C)CC[C@@]24O 100781278 IJPNDQQOKFKBRG-AOOYXSRFSA-N 382.453 0.311 0 1 GCAF endogenous,in-man CN(C)c1nc2ccc(NC(=O)c3c(C(=O)N4CCOCC4)cnn3C)cn2n1 205056375 CCXAPPLKFINYBE-UHFFFAOYSA-N 398.427 0.254 0 1 GCAF CC(C)(CC(=O)Nc1c[nH]cc(C(=O)O)c1=N)NC(=O)[C@H]1CC[C@H](N)CC1 1911572444 MIYVVXQUKPKZDN-XYPYZODXSA-N 377.445 0.933 0 1 GCAF CC(=O)NC=CSC1=C(C(=O)O)N2C(=O)[C@H]([C@H](C)OS(=O)(=O)O)[C@H]2C1 2356458087 FQQFFZPBGYGDSX-SKWCMTHISA-N 392.411 0.062 0 1 GCAF O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1)c1cnccn1 95903346 GFEYRJOTZRKGCS-UXLLHSPISA-N 376.457 0.811 0 1 GCAF COc1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C 115072527 IEPXQEPPVSTUGZ-UHFFFAOYSA-N 384.436 0.757 0 1 GCAF CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](CCN2CO)Oc2ccc(cc2)CCNC1=O 2356832559 IBMWDFIGAOQAHY-MGHWNKPDSA-N 375.469 0.661 0 1 GCAF COc1cc(OC)c(/C=c2\[nH]c(=O)/c(=C/c3cccs3)[nH]c2=O)c(OC)c1 28006323 FWAYZEDLDYCVMK-TYPNBTCFSA-N 386.429 0.808 0 1 GCAF Cc1nsc(N2CCN(C(=O)[C@H]3C[C@@H](C(=O)N4CCCC4)N[C@H]3C)CC2)n1 29130371 GWZAVMKCMKDTFT-QEJZJMRPSA-N 392.529 0.484 0 1 GCAF O=C(O)COCCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O 169710971 DAZRRTICFLNNPU-UHFFFAOYSA-N 397.387 0.981 0 1 GCAF 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CCOc1cc2c(c(OCC)c1OCC)C(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](O)C[C@H]21 1857605885 OPDPPBBQKFXLGP-GXZBSRFJSA-N 381.425 0.565 0 1 GCAF CC(=O)N1CCN(C(=O)Nc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1=O 2356872595 ZAGVBDWPBMIXTR-JKSUJKDBSA-N 387.440 0.146 0 1 GCAF O=C(Cn1cnc2c(OCc3ccccc3)ncnc21)NCCN1CCOCC1 61947326 SWQSWTKSGXHIFO-UHFFFAOYSA-N 396.451 0.854 0 3 GCAF CC1(C)O[C@H]2[C@@H](CCP(=O)(O)O)O[C@@H](c3nc(C(N)=O)cs3)[C@@H]2O1 17140368 SOEARYYVKAIDJY-UTINFBMNSA-N 378.343 0.770 0 1 GCAF CC(=O)NC[C@@H]1OC(=O)N2c3ccc(S(=O)(=O)N4CCOCC4)cc3C[C@@H]12 28237567 OLQWCJYVQQZVFF-HOTGVXAUSA-N 395.437 0.094 0 1 GCAF O=C(C[C@H]1CC[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCCc1ccncc1 95907689 RUCVOXWJWAJZCT-QRVBRYPASA-N 398.463 0.864 0 1 GCAF CC(C)O[P@]1(=O)OC[C@H]2O[C@@H](c3cnn4c(N)ncnc34)[C@](C)(N)[C@@H]2O1 148856804 BYHZAPYNRPVYGX-MCZONDNESA-N 384.333 0.812 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cnc3ccccc3c2[nH]1)C(=O)O 587220137 MUPOOFVYTYQRHE-JQWIXIFHSA-N 385.380 0.415 0 1 GCAF 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CN[C@@H](C)C(=O)N[C@H]1CCCN(CC(=O)N[C@@H]2CCc3ccccc3C2)C1=O 64460156 AOGUXYSOMCQNKB-QGTPRVQTSA-N 386.496 0.375 0 1 GCAF COc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)n2C)ccc1F 95580040 BOTZGFPBBZKZFQ-UHFFFAOYSA-N 376.388 0.946 0 1 GCAF CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2cccnc2)O1 95885101 OSTXBBBXOSEBLK-VVLHAWIVSA-N 377.441 0.357 0 1 GCAF CN(C)CC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccccc2F)O[C@@H]1CO 95906997 RKEDVRHSWVNUQX-USXIJHARSA-N 381.448 0.418 0 1 GCAF CN(C)CC(=O)N[C@H]1C=C[C@H](CC(=O)NCc2ccccc2F)O[C@@H]1CO 95907046 JPCYXULXKAYANI-HYVNUMGLSA-N 379.432 0.194 0 1 GCAF CN1C(=O)c2cc(C(N)=O)nc3c(N)c(I)c(N)c1c23 238783022 QAIRQWRWVVVNRS-UHFFFAOYSA-N 383.149 0.693 0 1 GCAF O=C(OCc1ccccc1)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238786276 HHCASPHQHZVTKM-BFMVXSJESA-N 390.388 0.222 0 1 GCAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C[C@@H](O)[C@H](O)[C@H](O)CO 587612488 WDEUNJMCHZYPCV-ZCDXYUPRSA-N 376.361 0.188 0 1 GCAF N[C@@H](CN1C=C[C@@]2(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)C(=O)C1)C(=O)O 962762524 JKBCKWQIYXEJRM-AHIWAGSCSA-N 397.353 0.338 0 1 GCAF O=C(C[C@H]1CC[C@H](NCCO)CC1)N[C@H]1Cc2cccc(C(=O)O)c2OB1O 1857541599 RAXYJZPKNUPIED-NOLJZWGESA-N 390.245 0.355 0 1 GCAF Cn1c(=O)c2c(nc3n2CCN(CCc2cccc(F)c2F)C3)n(C)c1=O 1857556337 HTJKDXYAUTYQGL-UHFFFAOYSA-N 375.379 0.770 0 1 GCAF CCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NCc3ccccc3)[C@H](O)[C@H]2O1 2356288396 CPKBFKVRSIREEE-KWWJQKEASA-N 391.468 0.688 0 1 GCAF CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)C1(NC(=O)OCc2ccccc2)CCCC1 13490366 FUOXCWBCJJDEKN-ZBFHGGJFSA-N 389.408 0.729 0 1 GCAF CC(=O)NCSC[C@@H](CO)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82089309 NPUARQRDWRIGRM-GFCCVEGCSA-N 393.421 0.988 0 1 GCAF O=C(CN1CCOCC1)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO 95903433 DICINUGHTLCIMB-FGTMMUONSA-N 397.516 0.040 0 1 GCAF CCOC(=O)C[C@H](N[C@H](C(=O)O)C(C)C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC 103292321 IPJMZQULLZKRKG-AAYIQWAFSA-N 389.445 0.898 0 1 GCAF 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0.723 0 1 GCAF CCCCCCSc1nc(N)c2nnn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 66104768 NYFORUBUBBNVQJ-IDTAVKCVSA-N 384.462 0.087 0 1 GCAF OC[C@H]1O[C@H](Oc2ccc(-c3ccc4ncncc4c3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 84672240 GTJKYOTVBQGSRY-SLHNCBLASA-N 384.388 0.476 0 1 GCAF Cc1nc(S(=O)(=O)N[C@H]2CCN(Cc3cccc(OCCO)c3)C2)cn1C 95784158 XTCAOUKUKJVBCT-INIZCTEOSA-N 394.497 0.652 0 1 GCAF CC(C)C[C@H]1C(=O)N=C(N)N1c1nc(N=C(N)N)nc(Nc2ccccc2)n1 147627657 NGAIXAHLIFBQTF-NSHDSACASA-N 382.432 0.596 0 1 GCAF O=c1nc(NC2CCC2)[nH]c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1cscn1 205766956 BFNCRAABDZRVML-NKBRHBOISA-N 393.469 0.372 0 1 GCAF CCOC(=O)[C@H]1CC(=O)[C@@H](C(=O)OCC)c2cc3c(O)nc(O)nc3nc21 587559491 JGOAQXXCIDMPKS-KWQFWETISA-N 375.337 0.702 0 1 GCAF Cc1cc2ncc([C@@H]3c4[nH]cnc4C[C@H]4C(=O)N5CCC[C@H]5C(=O)N43)cn2n1 963223421 QGQLLAIQCQGXCV-GRDNDAEWSA-N 377.408 0.608 0 1 GCAF CC1=C(c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)CN2CCC[C@H]2C1 2356563128 QUYDWYUNUYQKBM-LWYOMJABSA-N 391.464 0.507 0 1 GCAF Cc1ccc(S(=O)(=O)NC[C@H](CN2CCOCC2)OP(=O)(O)O)cc1 89456195 GFMBLHQCFVJLBD-CYBMUJFWSA-N 394.386 0.083 0 1 GCAF CC(C)N(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1S(C)(=O)=O)C(=O)CN(C)C 95895832 KFSCSKZDNNPRDI-ZIFCJYIRSA-N 397.541 0.574 0 1 GCAF O=c1[nH]c(CSc2nc3cc(C(F)(F)F)nn3c(=O)[nH]2)c(Cl)c(=O)[nH]1 103288893 MIVMXBVINNBIQU-UHFFFAOYSA-N 394.722 0.759 0 1 GCAF COCCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 107070327 LSEAYYUWBUMKEG-UHFFFAOYSA-N 377.426 0.234 0 1 GCAF CC(=O)Nc1nc(OCc2ccccc2)c2ncn([C@@H]3C[C@@H](O)[C@H](O)O3)c2n1 40690200 ATSMAVMOYAZTSF-IIYDPXPESA-N 385.380 0.962 0 1 GCAF Nc1nc(N)c2nc(CNCCc3ccc(S(=O)(=O)O)cc3)cnc2n1 64415764 GNFPWULEJCVJOZ-UHFFFAOYSA-N 375.414 0.163 0 1 GCAF N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O 141035638 WNOZOUHFGZKGNT-ANYOLZDRSA-N 376.192 0.982 0 1 GCAF O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1-c1ccc(Br)s1 169560008 IGUZFFOBAZCVRK-XLDPMVHQSA-N 389.227 0.668 0 1 GCAF Nc1ccc(S(=O)(=O)N2N=Cc3cc(Br)ccc3B2O)cc1 195064630 VIDMJCLZSOTTOP-UHFFFAOYSA-N 380.032 0.757 0 1 GCAF CC1(CNc2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)COC1 205044433 MDRQQEXIVHHEJB-WCIBSUBMSA-N 384.400 0.327 0 1 GCAF CN[C@@H](C)C(=O)N[C@H](C(=O)N1c2ccccc2C[C@H]1C(N)=O)c1ccccc1 1772640275 KKAYVCMQRFGAAY-KKXDTOCCSA-N 380.448 0.895 0 1 GCAF CC(=O)N/C=C/SC1=C(C(=O)O)N2C(=O)[C@@H]([C@@H](C)OS(=O)(=O)O)[C@H]2C1 26663742 FQQFFZPBGYGDSX-GOWMMUNJSA-N 392.411 0.062 0 1 GCAF in-vitro OC[C@@H]1O[C@@H](n2cnc3c(NCC4=CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 36271956 HPDZGAGMDATLJH-CNVJLJKISA-N 395.419 0.489 0 1 GCAF CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CCOCC2)O1 95885555 LGGFTYBQIURINE-FJIDUMEYSA-N 398.500 0.465 0 1 GCAF O=C(C[C@@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)NCc1ccc2c(c1)OCO2 95887821 YFRMSEXFMHDWES-LDDOYCOJSA-N 378.425 0.319 0 1 GCAF COc1ccc(C=CC(=O)O[C@@H]2[C@H](C)O[C@H](O)[C@H](OC(C)=O)[C@@H]2O)cc1OC 2356746327 ONEXBDOPCBANRU-CRVZJDHPSA-N 396.392 0.659 0 1 GCAF COCC(=O)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2Nc1nccc(-c2cccs2)n1 2356846750 OQHZUZPYEITGAL-AVRGHOLYSA-N 376.438 0.914 0 1 GCAF C[C@H](NC(=O)c1nc[nH]c1C(=O)NC1CCNCC1)C(=O)OCc1ccccc1 61959240 SXZZACMVVHHRAY-ZDUSSCGKSA-N 399.451 0.753 0 3 GCAF CC1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)c3cccc(F)c3)[C@@H](O)[C@H]2O)CC1 12603618 VNSXWICWBGIRRT-OGWHTMIXSA-N 394.443 0.693 0 1 GCAF biogenic OC[C@@H]1O[C@@H](Oc2ccc(/C=C\c3cc(O)cc(O)c3)cc2)[C@@H](O)[C@H](O)[C@@H]1O 13340989 RUOKEYJFAJITAG-UZLNXDTKSA-N 390.388 0.447 0 1 GCAF in-man Nc1nc2nn(-c3cccc(C(=O)NC[C@H]4CCCC[C@H]4O)c3)nc2c(=O)[nH]1 13559928 ASSNHAZYCRRPHO-DGCLKSJQSA-N 383.412 0.367 0 1 GCAF O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCOCC2)O1)NCC1CC1 95887261 NCINSYYDRJCYKJ-YSTOQKLRSA-N 396.528 0.939 0 1 GCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(N4CCCOCC4)nc23)N1 205025474 BPTJNXXFFXLTRP-WQLSENKSSA-N 384.400 0.106 0 1 GCAF COC[C@H](OC)[C@](COC)(CO[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC)OC 238751780 WSWUBQXBQBTOJS-XTBALEFGSA-N 396.477 0.486 0 1 GCAF COCCNC(=O)CN(C)C[C@@H]1NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C[C@H]2N1 618013255 MAGZHARTOWSRNF-LPWJVIDDSA-N 380.411 0.074 0 1 GCAF CN(C)CC(=O)N1CCC[C@H](n2nc(-c3cnn(C)c3)c3c(N)ncnc32)C1 1857650767 WFKRUDCOPDSTRY-ZDUSSCGKSA-N 383.460 0.534 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNCc3cnccc3Cl)[C@@H](O)[C@@H]2O1)NC1CC1 2356289226 RPOUUDRMATWMJF-KATVLWTNSA-N 381.860 0.779 0 1 GCAF COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@](O)(CO)[C@]2(O)CO)ccc1O 2356722410 GRSNTPZMTOYPRG-AABGKKOBSA-N 392.404 0.250 0 1 GCAF CC(C)C[C@H](NC(=O)[C@H](O)[C@@H]1C=CC(=O)O1)[C@H]1Cc2cccc(O)c2C(=O)O1 13366972 MXZNZZJLGOWQFM-CTNYNGJSSA-N 389.404 0.847 0 1 GCAF biogenic Cc1cc2c(c(C)c1CCO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)C(C)(C)C2 14683015 QFXWNTWJLHHEKX-QHXZYPQMSA-N 394.464 0.427 0 1 GCAF endogenous,in-man CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N)c3ccc4c(c3)OCO4)[C@@H]2SC1 27408404 APIJQNGYGVYKQR-OZVIIMIRSA-N 391.405 0.174 0 1 GCAF CN(CCO[P@](=O)(O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)c1ccccc1 28876170 JUPDHMBMYTZJKF-LBPRGKRZSA-N 388.313 0.783 0 1 GCAF CC(=O)Nc1ncccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 218920920 WNCDPWCCQCZNHO-GOSISDBHSA-N 398.463 0.954 0 1 GCAF COc1ccc(S(=O)(=O)N[C@H](c2nc3c(N)ccnc3[nH]2)[C@@H](C)O)cc1 586934305 FOQMMCMUTOSRCQ-RNCFNFMXSA-N 377.426 0.949 0 1 GCAF CN=c1nc2c(c[nH]1)c(-c1ccc(N3CCNCC3)nc1)nn2CC1OCCO1 1857759728 GFFVAKKFWQHFLB-UHFFFAOYSA-N 396.455 0.134 0 1 GCAF O=C1CC[C@@H](CCCCCCCCO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1 2356480600 JIHQLTXNRUMMRM-UXCAXZQLSA-N 376.446 0.239 0 1 GCAF CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@H](NCc3ccc(CO)o3)CN12 2356864242 VSSSTOKAHGDMJM-HDMKZQKVSA-N 392.500 0.451 0 1 GCAF OC[C@@H]1O[C@H](n2cnc3c(NC4CC4)nc(Nc4ccccc4)nc32)[C@@H](O)[C@@H]1O 29408589 ZLCOZSQRGIVSFD-OGIUKLMXSA-N 398.423 0.756 0 1 GCAF CN1CCCN(c2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)CC1 205018606 DRBPUALSCDYXOJ-LCYFTJDESA-N 397.443 0.021 0 1 GCAF O=C1[C@@H]2C[C@H](O)CN2C2(CN(Cc3ccoc3)C2)C(=O)N1Cc1cccnc1 2356291176 MXMCXXBCXGWUJG-IRXDYDNUSA-N 382.420 0.233 0 1 GCAF O=C(NC[C@H]1CCCO1)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccccc1 16689770 VBFSOTVMIVMYDS-HUUCEWRRSA-N 395.481 0.251 0 3 GCAF O=C(C[C@@H]1CC[C@@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCc1ccncn1 95907404 MFWHVJQQCSLWHQ-GVDBMIGSSA-N 385.424 0.216 0 3 GCAF O=c1nc(Nc2ccccc2)[nH]c2c1ncn2CCCCN(CCO)CCO 13644877 QDYUJYCBYZEGGD-UHFFFAOYSA-N 386.456 0.930 0 1 GCAF N=C(N)c1ccc(C[C@H](N)C(=O)Nc2cccc(C(=O)NCCC(=O)O)c2)cc1 13730658 BBTXJCGFPCHCFR-INIZCTEOSA-N 397.435 0.684 0 1 GCAF CC(=O)NC[C@@H]1OC(=O)N2c3ccc(S(=O)(=O)N(C)CCCO)cc3C[C@@H]12 28237372 WTQDPPKHWCMXEM-HOTGVXAUSA-N 397.453 0.076 0 1 GCAF OC[C@@H]1O[C@H](n2cnc3c(NC4Cc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1O 36271821 NKTIWTYWGRTWOE-PSLQGDIJSA-N 383.408 0.017 0 1 GCAF CCCS(=O)(=O)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)NC3CCCCC3)CO[C@@H]21 36356740 VMASFSZICBLZND-LXTVHRRPSA-N 376.475 0.910 0 1 GCAF biogenic CCNC(=O)N[C@@H]1CO[C@H]2[C@@H](n3nnnc3-c3ccc4c(c3)OCO4)CO[C@@H]21 36364546 XZEFVTFVSKJFHT-BVIHXZOGSA-N 388.384 0.095 0 1 GCAF biogenic CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H]3C1=O 101411700 TXCXCZBYPFXTDE-OYRIPWCXSA-N 388.395 0.787 0 1 GCAF CCOC(=O)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O 238741844 HZTLWLBHUPNTLF-DZKIICNBSA-N 376.358 0.298 0 1 GCAF COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc(F)cc3)S[C@H]12 2356851266 QFRFHFKHWLEKFN-CAEXGNQWSA-N 383.445 0.582 0 1 GCAF O=C(NC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)C12CC3[C@@H](CCC[C@H]3C1)C2 40540502 AOMBHLFCWIMSPC-GCHJBUFUSA-N 389.452 0.518 0 1 GCAF CCc1nc(C(=O)N2CCC[C@H](C(=O)OCCN(CCN)CCO)C2)cs1 82069374 ZPBBKWCTIIUDNL-AWEZNQCLSA-N 398.529 0.354 0 1 GCAF COCCOc1ccccc1NC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1 115072637 GYIFSRRSTJBSLA-UHFFFAOYSA-N 388.424 0.813 0 1 GCAF CN1[C@H]2C[C@H](OC(=O)c3cccn3C)C[C@@H]1[C@@H](O)[C@H]2OC(=O)c1cccn1C 138665343 WIKSORYWEPWYTL-CUWKQTPXSA-N 387.436 0.952 0 1 GCAF CNS(=O)(=O)c1cc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)n(C)c1 586946933 FWVKQRFDTCSCRD-UHFFFAOYSA-N 397.482 0.727 0 1 GCAF COc1cc(O)c2c(=O)oc3c(c2c1)[C@](C)(O)C[C@H](OC)[C@@]31C[C@H](O)C(=O)O1 2356389694 DXDVGVFRBGQXNB-OSNZZGBFSA-N 392.360 0.637 0 1 GCAF COCc1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)N2CCC(C(=O)O)CC2)nn1 2356575421 MIFINJGIWPQIJY-HYVNUMGLSA-N 391.472 0.458 0 1 GCAF COC(=O)[C@H](C)NC(=O)[C@@H]1CN(C(C)=O)CCN1C(=O)NC1CCCCC1 25429110 QMYIIXVNIUNWEP-WFASDCNBSA-N 382.461 0.239 0 1 GCAF biogenic CNC(=O)COc1ccccc1OC[C@H](O)CNC(C)(C)CNC(=O)C(C)C 27108450 XQINZQDVTCSBKX-OAHLLOKOSA-N 395.500 0.692 0 1 GCAF CC1(C)S[C@H]2[C@H](NC(=O)[C@@H](N)c3ccc4c(c3)OCO4)C(=O)N2[C@@H]1C(=O)O 27331642 OJRFCVKRBOKGRG-YFCNSXCBSA-N 393.421 0.047 0 1 GCAF CC(=S)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccc2c(C)cc(=O)oc2c1 33493246 ZDAVWYMHGAWTAW-QSGXVVIFSA-N 395.433 0.225 0 1 GCAF CN(CCc1ccccc1)c1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 48998725 SCXRBDDXAKSTKT-ZIGSKRJUSA-N 385.424 0.117 0 1 GCAF CO[C@@H](C(=O)NC1Cc2ccccc2C1)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C 66166121 XTHOIFAGDPGJPZ-PQQJDVFMSA-N 377.481 0.970 0 1 GCAF in-vitro N[C@@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587220500 NEVKGIKRVZCESW-NKWVEPMBSA-N 387.755 0.054 0 1 GCAF O=S(=O)(c1ccc2c(c1)OCO2)N1CCN(CCCN2CCOCC2)CC1 1857764475 HQURRGKURWQUQE-UHFFFAOYSA-N 397.497 0.444 0 1 GCAF CC(=O)[C@@H]1CC[C@@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3[C@@H](O)[C@@H](O)[C@]12C 2356610748 WWPKUIPTUTUKAJ-WCDLCACESA-N 380.481 0.544 0 1 GCAF N[C@H](Cc1cc(I)ccc1CCP(=O)(O)O)C(=O)O 13901608 HAIQOZCTXWTJMQ-SNVBAGLBSA-N 399.121 0.966 0 1 GCAF COC(=O)CCC(=O)N1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@H]2C1 25209994 FPTFXRBGUMJAQO-CYBMUJFWSA-N 379.800 0.898 0 1 GCAF biogenic O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1nccs1 95869352 HOXLGSRZSGMPPI-MJBXVCDLSA-N 381.454 0.699 0 1 GCAF CCCCc1nc(N)c2ncn([C@@H]3O[C@@H]4CO[P@@](=O)(O)O[C@H]4[C@H]3O)c2n1 169332768 UXIJUINYJHYNLH-FRJWGUMJSA-N 385.317 0.525 0 1 GCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(N4CCC(F)CC4)nc23)N1 205037413 ZRHLRYFJCSXGDG-GHXNOFRVSA-N 386.391 0.817 0 1 GCAF CC(=O)c1ccc2nc(C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2c1 587217605 BSZACWBKCXUTRU-JQWIXIFHSA-N 376.369 0.070 0 1 GCAF CC=C(C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)[C@]3(O)[C@H](C)OC(=O)[C@H]3C)[C@@H]12 2356632556 NRYICLSFNMBTFB-XGUKFYEUSA-N 395.452 0.814 0 1 GCAF CC=C(C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@]3(O)[C@H](C)OC(=O)[C@@H]3C)[C@@H]12 2356643252 LZKFLVDOCDILCY-TYUCIJGHSA-N 393.436 0.734 0 1 GCAF CC1(CCC(=O)N[C@H](Cn2cncn2)CP(=O)(O)O)SCCS1 26176679 ODXSTNIZJNXYRL-SNVBAGLBSA-N 380.432 0.917 0 1 GCAF COCc1cn(CC[C@@H]2CC[C@H](NC(=O)Cc3cccnc3)[C@H](CO)O2)nn1 95907040 CPRKXMBGMLHECS-BZSNNMDCSA-N 389.456 0.477 0 1 GCAF CCCN(CCC)CC/N=c1/c(N2CCN(C(=O)OCC)CC2)c(O)c1=O 101508610 SPCDKGVSJOMXSZ-HKWRFOASSA-N 380.489 0.929 0 1 GCAF Cc1nc[nH]c1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O 28563503 KPFHQXFYEYOLGF-UHFFFAOYSA-N 381.440 0.949 0 1 GCAF CNC[C@H]1Oc2ccc(NS(C)(=O)=O)cc2C(=O)N([C@H](C)CO)C[C@H]1C 95850582 HMGKWXPABBQPJW-XHBSWPGZSA-N 385.486 0.498 0 1 GCAF COC(=O)N[C@@H](CCc1c(C)nc2n(C)c3nc[nH]c3c(=O)n12)C(=O)OC 196786795 ILBRXFOKTSWVQE-VIFPVBQESA-N 376.373 0.048 0 1 GCAF C=CC(=O)N1CC[C@@H](n2nc(-c3cc(C(C)(C)O)n(C)n3)c3c(N)ncnc32)C1 1857599329 BZAVHUAPRBYWRZ-LLVKDONJSA-N 396.455 0.996 0 1 GCAF CCN1C[C@@H]2[C@@H]3C[C@H]4[C@@H]1[C@]3([C@@H](OC)C[C@H]2O)[C@H]1C[C@@H]2[C@@H](OC)C[C@]4(O)[C@@H]1[C@@H]2O 2356730327 YEOLFWLRGOEFNZ-IHBXAXJWSA-N 393.524 0.485 0 1 GCAF CS(=O)(=O)N(C(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCCCC1 3177161 YMICPFGCUUFKJP-SNVBAGLBSA-N 381.476 0.187 0 3 GCAF CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NCc2ccc(F)cc2)[C@H]3C1=O 248320968 TXCXCZBYPFXTDE-DFYYWFRZSA-N 388.395 0.787 0 3 GCAF NCCC[C@H](NC(=O)C[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 40556783 BTWVATXXSOELOF-ULQDDVLXSA-N 390.484 0.246 0 1 GCAF O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccn1 45375337 FHGPIBDBYLIJQI-BRWVUGGUSA-N 389.477 0.887 0 1 GCAF CN(C)CC(=O)N[C@@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO 95907368 RJRBPHDBUORXJM-JFIYKMOQSA-N 379.505 0.912 0 1 GCAF OC[C@@H]1O[C@H](c2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O 257448547 ISYJYFWUXHMCFY-PYRUDKGESA-N 390.388 0.489 0 1 GCAF endogenous,in-man C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586940252 YCKIKGOFXOAHOE-VIFPVBQESA-N 383.455 0.739 0 1 GCAF COc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc2cc(C)c(C(C)=O)c(O)c12 2356592515 AVYRWRRYPRHDJL-SKSLQVBQSA-N 378.377 0.883 0 1 GCAF Cc1cc(C)n(CCCNC(=O)Cn2nnnc2CN2C[C@H](C)O[C@H](C)C2)n1 20600369 VTRPJWFEOOSVTR-IYBDPMFKSA-N 390.492 0.302 0 3 GCAF COc1cccc(N2C(=O)[C@H]3CN(C(=O)CSCC(=O)O)CCN3C2=O)c1 8295676 PAQRAJOWXZDCCC-CYBMUJFWSA-N 393.421 0.492 0 1 GCAF biogenic CCCNC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O 13776785 IDCVVSOKHMEOPN-SCFUHWHPSA-N 376.461 0.800 0 1 GCAF O=C(/C=C/c1cc2occc2cc1O)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O 200069942 DBRHSUROBPSKMR-GNUUQPSOSA-N 378.333 0.395 0 1 GCAF C[C@@H]1O[C@@]2(O)[C@@H](CO)N(C)C(=O)[C@@]23C(=O)[C@H]2[C@@H](C=C[C@@H]4C[C@H](C)CC[C@H]42)[C@H]13 2356479554 UZVYFDUZOXCUAP-CJPFGLFPSA-N 375.465 0.967 0 1 GCAF COC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C 95662978 UUDITCQIVHGHRN-FMKPAKJESA-N 397.476 0.501 0 3 GCAF CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N2CCOCC2)cc1 5850043 PYWDMFLNLIHFEM-UHFFFAOYSA-N 394.439 0.693 0 1 GCAF COc1cc(O)c2c(c1)O[C@@H]1[C@@H](O)Oc3cc(OC)c(OC)cc3[C@]1(O)C2=O 13403431 CJIMGNHPOXRALG-QYZOEREBSA-N 390.344 0.960 0 1 GCAF biogenic CNC(=O)COc1ccc(OCCNC[C@H](O)COc2ccc(O)cc2)cc1 29474202 AQMMWUNRLRNYTH-INIZCTEOSA-N 390.436 0.925 0 1 GCAF CCCc1c(O)n(-c2ccc(F)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2c1=O 34090822 HVXFZKHHZRYKNC-UHFFFAOYSA-N 399.382 0.833 0 1 GCAF O=C(Cc1ccccc1)N[C@@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO 95675640 CLBFLRMDTNZFIM-KSZLIROESA-N 376.453 0.503 0 1 GCAF COCC(=O)NC[C@@H]1OC[C@@H](N(Cc2ccncc2)Cc2ccncc2)[C@H]1O 2356287014 BOQLJRBZUMPWED-WSTZPKSXSA-N 386.452 0.370 0 1 GCAF Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)c1c(F)c(F)c(F)c(F)c1F 14948376 XEEATOCFEUTHHG-MFOYZWKCSA-N 388.299 0.566 0 1 GCAF CCCCCCNS(=O)(=O)c1ccc2[nH]/c(=N/C(=O)NCCO)[nH]c2c1 95596382 NXKPLRKMFPAZPM-UHFFFAOYSA-N 383.474 0.957 0 1 GCAF COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N(C)C)O[C@H](CO)[C@@H]1O2 95900676 YUNRHRZDARIPJN-UETVFIHBSA-N 378.425 0.744 0 1 GCAF COc1cc2nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2cc1F 587223030 VDHGEQKLODWYBS-RKDXNWHRSA-N 382.348 0.015 0 1 GCAF Nc1ccnc2c1c(I)cn2[C@@H]1O[C@H](CO)C[C@H]1O 1857539091 DCXMGJRPMWDTBN-PNLAZUSQSA-N 375.166 0.864 0 1 GCAF COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@H]1C[C@](NC(N)=O)(OC)C(=O)C3 2356331026 UKKSYNIHERWZRQ-RTFQWSFESA-N 389.452 0.889 0 1 GCAF CC(=O)OCC1=C2C(=C[C@@]3(C)CC[C@@](O)(O3)[C@@](C)(OC(C)=O)C[C@H]2O)OC1=O 2356513148 UJOLIVKCUHQIRS-CODKJTEISA-N 396.392 0.631 0 1 GCAF COC(=O)[C@]1(C)N[C@H](CN(C)C(C)=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 61947231 JYLSGQMEINLSOT-UIVXKWKOSA-N 387.436 0.170 0 3 GCAF COc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 28022184 RDBVQLRPLJFYBG-LJGDNWOOSA-N 387.396 0.059 0 1 GCAF biogenic CC(=O)N1CCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccco3)n2)CC1 82141982 NNCFURSQVSKOOZ-UHFFFAOYSA-N 385.424 0.878 0 1 GCAF O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCc1ccncc1 95676226 ZNNAKNJWDLOPKK-BZSNNMDCSA-N 389.452 0.315 0 1 GCAF O=C(CN1CCC[C@H]1C(=O)N1CC[C@@H](F)C1)N1CCN(c2ncccn2)CC1 169697081 ICDKPISETHQQSE-CVEARBPZSA-N 390.463 0.160 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCOCC3)[C@@H](O)[C@@H]2O1)N1CCC(F)(F)C1 2356316387 FMZQURMPMOGGLE-AZGDMVHKSA-N 390.427 0.299 0 1 GCAF NC(=O)c1ccccc1C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)O)cc2C1=O 13816002 VVVILRIXAJWCIR-CQSZACIVSA-N 382.328 0.776 0 1 GCAF CC(C)NC(=O)N[C@@H]1C[C@H](C(=O)N(C)CC(N)=O)N(C(=O)CC(C)(C)C)C1 25170470 OZECPTYZANTUFS-CHWSQXEVSA-N 383.493 0.043 0 1 GCAF biogenic CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(N4CCOCC4)C3)nc21 29329531 WXIWAUKBCBQCLF-UHFFFAOYSA-N 376.388 0.775 0 1 GCAF CC(C)NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)CCN2CCCCC2)[C@@H](CO)O1 95678429 JVYCUASVIANWPE-RCCFBDPRSA-N 398.548 0.985 0 1 GCAF C[C@H](Nc1cc(C(N)=O)nc(N2CCN(c3ccc(F)cc3)CC2)n1)C(N)=O 142341322 KNTIQIUIPYALBI-NSHDSACASA-N 387.419 0.327 0 1 GCAF C[C@@H]1C[C@H](O)[C@@H](O)[C@@]2(C)[C@@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@@]31[C@@H]24 255220820 JDJXPFSXCMQREH-VFGCPAQNSA-N 382.453 0.038 0 1 GCAF COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 299844998 BITRTELPHIVTON-KDBYPZKRSA-N 386.445 0.450 0 1 GCAF Cc1c(C(=O)N2CCN([C@@H]3C[C@H]3F)CC2)cnn1-c1nc(=O)c2cccn2[nH]1 1857597667 WHJIDGMNRGFEOW-UKRRQHHQSA-N 385.403 0.385 0 1 GCAF COCC(=O)NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCN(c2ncccn2)CC1 2356286139 UQYGRQNVOUCIOR-KZNAEPCWSA-N 388.516 0.072 0 1 GCAF CCCC[C@@H]1[C@@H]2C[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@](C)([C@@H]1O)C2(C)C 2356360655 KZVURNVUGCMDSM-FWYHVERNSA-N 388.501 0.405 0 1 GCAF CC(C)(O[C@@H]1COC(=O)[C@@]1(C)O)[C@@H](O)Cc1c(O)ccc2ccc(=O)oc12 2356402657 MVDZRRJNPJVSRY-KSMMKXTCSA-N 378.377 0.874 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3ccccc3OC)[C@@H](O)[C@H]2O1 2356610683 UQOXTQIWESHOLS-BEUFEYIVSA-N 394.468 0.223 0 1 GCAF CCOC(=S)NCc1ccc(O[C@H]2O[C@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1 14444136 NZQNGCULBWTLGQ-GFVQHMJJSA-N 399.465 0.875 0 1 GCAF endogenous,in-man CN1CC[C@@H](O)C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C 14979232 MMVXNRVXLLITBD-KGLIPLIRSA-N 390.415 0.683 0 1 GCAF CN(CC(=O)OCCN(CCN)CCO)C(=O)c1coc(-c2cccs2)n1 82085655 PBJFWMUJZVZJPY-UHFFFAOYSA-N 396.469 0.271 0 1 GCAF O=C(O)/C=C(\C(=O)O)[C@H]1[C@@H]2NC(=O)C[C@H]3OCC[C@H]4CCN5CC[C@@H]1[C@@H]5[C@@H]4[C@@H]23 253724040 ZPUCRSNLEAWVOV-KHGCQZOSSA-N 390.436 0.332 0 1 GCAF COC(=O)c1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2c1 587217082 ACGKNUCOMCXBSG-GXSJLCMTSA-N 392.368 0.174 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cccc(C(=O)O)c2[nH]1 587218579 HGPAWZHHHBDHGL-SCZZXKLOSA-N 378.341 0.085 0 1 GCAF O=C(N1CCOCC1)N1CC2(CN(Cc3ccccc3)C[C@H]3COCCN32)C1 2356300829 STAZLLUQZFWTJR-IBGZPJMESA-N 386.496 0.710 0 1 GCAF COc1ccc(Cn2cc(CN3C[C@@H](N4CC=CC4)CS3(=O)=O)nn2)cc1 169304085 URIIUTPUVUVKNB-QGZVFWFLSA-N 389.481 0.721 0 3 GCAF COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(C)=O)C2=O)CC1 36248198 UOTUILWLEHXIMY-INIZCTEOSA-N 388.468 0.471 0 1 GCAF CC(=O)OCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1OC(C)=O 43015389 DTWNTXZKKRQNAQ-YNEHKIRRSA-N 395.441 0.924 0 1 GCAF CCOc1ccc(S(=O)(=O)NCCN)cc1-c1nnc2c(n1)c(C)nn2C 169340984 JJYNPGHQGVEEBW-UHFFFAOYSA-N 391.457 0.369 0 1 GCAF COc1cc2c(cc1OC)[C@@H](CNC(=O)CNC(=O)[C@H](N)C(C)C)N(C)CC2 2356855223 RAVTVYGYRMZHSJ-DNVCBOLYSA-N 392.500 0.449 0 1 GCAF CC(C)NC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(F)c3)CN21 15707388 GFOCTAHGVITCRF-BBWFWOEESA-N 390.459 0.802 0 1 GCAF biogenic CCN1CCC[C@H]1CNC(=O)c1cc(N(C)S(N)(=O)=O)c(C)cc1OC 40466153 CEFBFXCEPYASMH-ZDUSSCGKSA-N 384.502 0.857 0 1 GCAF Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3cccc(Cl)c3)O2)c(=O)[nH]c1=O 95571830 FHDHQCICISNLFS-BFHYXJOUSA-N 394.815 0.969 0 1 GCAF COCC(=O)NC[C@@]1(COc2ccc(C(F)(F)F)cn2)C[C@H](O)[C@H](O)C1 2356300961 YGDFAYZZLJLKKP-JYAVWHMHSA-N 378.347 0.744 0 1 GCAF CC(C)(O[C@@H]1COC(=O)[C@]1(C)O)[C@@H](O)Cc1c(O)ccc2ccc(=O)oc12 2356402656 MVDZRRJNPJVSRY-IQUTYRLHSA-N 378.377 0.874 0 1 GCAF Cc1cc(=O)n2nc(N3CCC(C(=O)N4CCN(C)CC4)CC3)sc2n1 20416581 YJPUGOCGTQNIKP-UHFFFAOYSA-N 376.486 0.450 0 3 GCAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(CN4CCN(C)CC4)cc3)C[C@H]12 22442278 KRDYTCRNPDVGBP-FSPWUOQZSA-N 385.464 0.841 0 1 GCAF CC1=C(C(=O)NCCOCCOCCN)[C@@H](c2cccc(O)c2)NC(=S)N1 28827190 IPQUUOBGQFXZQP-MRXNPFEDSA-N 394.497 0.293 0 1 GCAF CC1(C)S[C@@H]2[C@@H](NC(=O)Cc3ccccc3)C(=O)N2[C@@H]1C(=O)OCCO 29473716 YDNBZHBVMKLIKT-SQWLQELKSA-N 378.450 0.312 0 1 GCAF COc1cccc(NC(=O)NC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)c1 95579843 YAOKZMJVVGYFMH-RRFJBIMHSA-N 390.396 0.324 0 1 GCAF C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCNC1)CC2 1772626387 ZYEIGCILXAGHKH-XCLFUZPHSA-N 396.499 0.855 0 1 GCAF 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394.399 0.225 0 1 GCAF NC(=O)c1cccc(OCC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 220102878 JJNCEALJQMPQON-GOSISDBHSA-N 383.448 0.700 0 1 GCAF COc1ccc(S(=O)(=O)N[C@H](c2nc3c(N)ncnc3[nH]2)[C@H](C)O)cc1 586934250 DNOSGCWYGSPPPI-KWQFWETISA-N 378.414 0.344 0 1 GCAF O=C(O)CCC(=O)NCc1ccc(COC(=O)N[C@@H]2CCC(=O)NC2=O)cc1 1857544254 IYOYSSFBNZPDGU-CYBMUJFWSA-N 391.380 0.199 0 1 GCAF CN1CC2=CCO[C@@H]3CC(=O)N4c5c(O)cccc5[C@@]5(C[C@@H]1O)C(=O)C[C@H]2[C@H]3[C@@H]45 2356560749 DJXMJEPDTHPSQF-SJDUUWCDSA-N 396.443 0.933 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC3Cc4ccccc4C3)[C@@H](O)[C@H]2O1 2356710322 ZMTTVADOIJTTHN-NRVIEEGESA-N 390.480 0.182 0 1 GCAF CC1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)c3cccc(F)c3)[C@H](O)[C@H]2O)CC1 2356866508 VNSXWICWBGIRRT-NBMJBFSESA-N 394.443 0.693 0 1 GCAF COC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C 61946314 BOUWOFDIRQBKSW-DZKIICNBSA-N 397.476 0.501 0 3 GCAF CCOC(=O)CN1CCN(C[C@@H]2CN(c3ccc(C(=N)N)cc3)C(=O)O2)CC1 26489896 XTKVYYWBWYUPBB-MRXNPFEDSA-N 389.456 0.477 0 1 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O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1 14855592 ZNWJKOJJZQDPSW-FSNPWBFUSA-N 376.361 0.436 0 1 GCAF Cc1ccc(-c2cn([C@@H]3C[C@@H](O)[C@@H](COP(=O)(O)O)O3)c(=O)[nH]c2=O)cc1 169713193 VXEMJHOYOBDZHI-MCIONIFRSA-N 398.308 0.270 0 1 GCAF CCOC(=S)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]2O)cc1 257499262 NZQNGCULBWTLGQ-RGVDIWCNSA-N 399.465 0.875 0 1 GCAF endogenous,in-man C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](O)[C@@H](CO)O[C@H]2O)N1 587849140 JSRCHRSALOJIGT-CUTMOEPISA-N 376.222 0.778 0 1 GCAF COc1ccc(OC)c(N2C[C@H](C)CN3[C@@H]4C(=O)NC(=O)N(C)[C@H]4N[C@@H]23)c1 618016475 AMCMOSWMANEAGV-WTIJQPERSA-N 375.429 0.225 0 1 GCAF N[C@H](CC[P@](=O)(O)[C@H](O)c1cc(F)c(OCC(=O)O)c(F)c1)C(=O)O 1772592935 ILIGGRZKVRBOPK-RNCFNFMXSA-N 383.240 0.492 0 1 GCAF Cc1c(C(=O)N2C[C@@H]3CC(C(N)=O)C[C@H]3C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857577585 QCARHZSFXNCYDX-STQMWFEESA-N 395.423 0.100 0 1 GCAF C[C@]12CC[C@H](O)C[C@@H]1[C@@H](O)C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 2356509737 YZEJGGKLJNZFGY-GNVVMQKISA-N 382.497 0.624 0 1 GCAF CCOC(=O)C(C)=CCC[C@@H](C)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356752447 QMKDCNIWPRUZMS-OWGXSOMWSA-N 376.446 0.119 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(NCc4cc(F)cc(F)c4)ncnc32)[C@@H](O)[C@H]1O 28647915 ZURRRIFILFFVJG-LRCAOYNASA-N 393.350 0.328 0 1 GCAF CS[C@]1(COC(C)=O)C(=O)N2[C@H]3C(=CC=C[C@@H]3O)C[C@@]2(SC)C(=O)N1C 49068523 MVUSSVFUFDATGD-WRFANHODSA-N 398.506 0.598 0 1 GCAF CC(=O)N1[C@@H]2Cn3c(cccc3=O)[C@H]1[C@@H](C(=O)NCc1ccc(F)cc1)[C@@H]2CO 95881077 HRITWVXZUJWQAQ-BEKAIBRUSA-N 399.422 0.814 0 1 GCAF O=C(NCC1CC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1cncnc1 95881588 RTAKVDRHOCSOCY-FEHORTKBSA-N 395.463 0.328 0 1 GCAF CC(C)(C)c1nc2c(N[C@H]3C[C@H](O)[C@H](COS(N)(=O)=O)C3)ncnc2[nH]1 114583329 AEJDFDWAZUHNDH-AEJSXWLSSA-N 384.462 0.422 0 1 GCAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCN(CCO)CC4)[C@@H]3[C@H](O)[C@]21C 504510480 HMSAIGOZLMKVAN-GWRIXIQFSA-N 378.513 0.881 0 1 GCAF biogenic C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)Nc1ccc2c(c1)=NC(=O)N=2 618014624 AIMLWMQBUZVORH-BFCNOCSMSA-N 378.392 0.206 0 1 GCAF CC1=C([C@H](C)CO)C[C@]2(O)[C@@]3(C)CC(=O)O[C@H]4[C@H](C)CC[C@@]3(O)[C@@]4(O)[C@@]12O 2356660941 WEMMFYQBUDJVPE-FRYZXIMJSA-N 382.453 0.025 0 1 GCAF CN1Cc2cc(C(=O)NCc3cccc(N)n3)ccc2N[C@@H](CC(=O)O)C1=O 3827634 JNKHWOLOCTZQRZ-HNNXBMFYSA-N 383.408 0.821 0 1 GCAF C[C@@]12C[C@H](C(=CC(=O)O)CO)OC(=O)[C@]1(O)C[C@H]1OC(=O)C3=CC=C[C@H]2[C@]31C 13484258 BHPYMXFPBKYXKF-KPYLCJNJSA-N 390.388 0.490 0 1 GCAF biogenic N=C(N)Nc1ccc([C@H]2C[C@@H](O)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)c2ccccc12 28571795 BWIIUOWSZLQPQH-SLBVQIDZSA-N 397.487 0.087 0 1 GCAF CN1c2ccccc2N2C(=O)CN(CCN3CCOCC3)C(=O)[C@H]2c2cccn21 32017144 FSNMYDNCHIJAGN-HXUWFJFHSA-N 395.463 0.950 0 1 GCAF Cn1cc(C(N)=O)c(=O)c2cc(N)c(N3CCN(c4ccccn4)CC3)cc21 40430584 JAYBAYXKJLARHI-UHFFFAOYSA-N 378.436 0.941 0 1 GCAF CN(C)CC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO 95907498 VCIKDIOFMNBODN-ULQDDVLXSA-N 395.887 0.709 0 1 GCAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)O[C@H]([C@@H](O)CO)C2=O 587843874 UVCUWHNIPOJVCP-CGWWPJQUSA-N 388.189 0.165 0 1 GCAF COC(=O)[C@H]1[C@@H]2[C@H](CC[C@H]1O)C(=O)N1CCc3c([nH]c4ccccc34)C(=O)[C@]21O 2356328798 IIBGFVKPIHLAEW-AZSAKSIPSA-N 398.415 0.614 0 1 GCAF CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)NO)CC3)c(F)c2)C(=O)O1 29129357 MFRUPLCRNRHFTN-ZDUSSCGKSA-N 395.391 0.508 0 1 GCAF O=C(Cc1nc(N2CCO[C@@H](CO)C2)cc(=O)[nH]1)N1CCc2c(F)cccc21 147082047 CPAKOWWGPKUEFW-GFCCVEGCSA-N 388.399 0.238 0 1 GCAF CC(=O)OC[C@@H]1C[C@H](n2cc(Br)c(=O)[nH]c2=O)C[C@@H]1OC(C)=O 29343874 KABDUHSYEFCKLN-NHCYSSNCSA-N 389.202 0.745 0 1 GCAF OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@H]1O 238785744 HSTZMXCBWJGKHG-CVGCIHHWSA-N 390.388 0.447 0 1 GCAF COc1ccc(-c2nc(-c3cnccn3)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1 299814166 MAXJUEAKWIHQBA-ATNYBXOESA-N 385.380 0.022 0 1 GCAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](O)[C@H](O)CO)[nH]c3c2)cc1 586888631 IZQCJSJDDPKHQZ-CVEARBPZSA-N 393.421 0.759 0 1 GCAF CC(=O)c1c(C)cc2cccc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2c1O 1857624288 FZUPKYUANHOYBD-RIEHRDFOSA-N 378.377 0.235 0 1 GCAF CN(CCc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)C1CCCCC1 2356329895 BSLBPEWTGVVIQV-VYCZESIESA-N 391.472 0.245 0 1 GCAF CC(C)(C)CC(=O)NC[C@@H]1OC[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O 2356353437 NZTCSRMJFQIAMY-XYJFISCASA-N 398.525 0.860 0 1 GCAF CCCc1c(Cl)c(OC)cc(O)c1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356527809 NZOUJQOVHXKKCG-QPVMMRRFSA-N 378.805 0.185 0 1 GCAF COc1cc(O)c2c(c1)[C@H](O)[C@H](C[C@H](O)[C@@H](O)C(=O)CCC[C@H](C)O)OC2=O 2356676426 SQYAYCYQGHSUJQ-ILBLCXPESA-N 398.408 0.205 0 1 GCAF CCCn1c(=O)n([C@@H]2CC[C@@H](CO)O2)c2nc(NC(=O)C(C)(C)C)[nH]c(=O)c21 27108996 HNSBLHZWZZPCPR-QWRGUYRKSA-N 393.444 0.951 0 1 GCAF COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncc3ccccn23)n1 103185160 VLLOASPRLHKVKR-UHFFFAOYSA-N 378.370 0.652 0 1 GCAF Cc1ccc(-c2cn([C@@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3)c(=O)[nH]c2=O)cc1 169713195 VXEMJHOYOBDZHI-MJBXVCDLSA-N 398.308 0.270 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)nc(Cl)nc32)[C@H](O)[C@@H]1O 253670889 AEOCPQUDPJKEQV-RSUHUFPZSA-N 395.847 0.692 0 1 GCAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@@H](O)[C@H](O)[C@H](O)CO)N1 587835399 VYHYWVKGPJTVOV-LZTYPIBESA-N 378.238 0.629 0 1 GCAF CCN1C[C@@H]2[C@@H]3C[C@H]4[C@@H]1[C@]3([C@@H](OC)C[C@H]2O)[C@H]1C[C@@H]2[C@@H](OC)C[C@]4(O)[C@@H]1[C@H]2O 2356730326 YEOLFWLRGOEFNZ-FMJKQJEXSA-N 393.524 0.485 0 1 GCAF CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(CO)o3)CN21 22922342 VSSSTOKAHGDMJM-DAYGRLMNSA-N 392.500 0.451 0 1 GCAF biogenic COCC(=O)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)Nc3cc(OC)cc(OC)c3)CO[C@H]21 25208894 MVAHBCMPEPEHTE-YQFWSFKMSA-N 396.396 0.550 0 1 GCAF biogenic O=C(Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1)N1c2ccccc2C[C@H]1CO 147071903 KZVPDRCRRZBZLJ-ZDUSSCGKSA-N 388.399 0.238 0 1 GCAF OC[C@@H]1O[C@H](c2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 257448548 ISYJYFWUXHMCFY-QWDLQGPXSA-N 390.388 0.489 0 1 GCAF endogenous,in-man Nc1ncc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(O)n1 587253338 IEPOSBNQXJYPIA-UHFFFAOYSA-N 376.398 0.329 0 1 GCAF N[C@H](CCC1=CN2[C@H](C(=O)O)CCC[C@@H]2[C@H]2CC[C@@H](C(=O)O)N=C12)C(=O)O 2356635008 SHGUDPYPHXWETM-RGDJUOJXSA-N 379.413 0.688 0 1 GCAF CN1[C@H]2CCN(C3CCCCC3)[C@@H]2C(=O)NC[C@H]1CCC(=O)N1CC[C@H](O)C1 2356845929 OIVQVUXHZJZMKY-LXZJYRNTSA-N 392.544 0.566 0 1 GCAF CN1CCCC12CN(c1nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n1)C2 221175354 VSILMVUVNGBLCP-GJZGRUSLSA-N 394.483 0.778 0 1 GCAF CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587529493 BAZPXBVJQFOLEQ-MMTROXRISA-N 376.405 0.953 0 1 GCAF CN1[C@H]2CCN(CC(C)(C)C)[C@@H]2C(=O)NC[C@H]1CCC(=O)N1CC[C@H](O)C1 2356817515 DLZCXTNDNGQLJU-CVYDXHPNSA-N 380.533 0.279 0 1 GCAF COC(=O)[C@@H]1CCCN(C(=O)[C@H](Cc2ccc3c(c2)OCO3)NC(C)=O)C1 201438504 ZVFFBUDNLXZZSU-CABCVRRESA-N 376.409 0.874 0 3 GCAF Cc1ncc(COP(=O)(O)O)c(CN[C@@H](CCCCN)C(=O)O)c1O 13527831 GQMAOPRRHWJXFB-LBPRGKRZSA-N 377.334 0.377 0 1 GCAF in-vitro COc1ccc(Nc2ncnc3c2ncn3[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H]2O)cc1 36272630 OCCHDTZLVAQBNC-VLXAULBPSA-N 387.352 0.282 0 1 GCAF COc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H]2O)cc1 36272631 OCCHDTZLVAQBNC-VPWBDBDCSA-N 387.352 0.282 0 1 GCAF CCN[C@H]1C[C@H](CCO[N+](=O)[O-])S(=O)(=O)c2sc(S(N)(=O)=O)cc21 43201660 UGBCNBXMWQAAOR-CBAPKCEASA-N 399.472 0.191 0 1 GCAF NCCNc1ccc(CC(=O)N[C@H]2Cc3cccc(C(=O)O)c3OB2O)cc1 223014136 MJFSJNCHOWALMT-INIZCTEOSA-N 383.213 0.438 0 1 GCAF O=C(O)c1cn(C2CC2)c2nc(N3C[C@H]4C[C@H]3CS4(=O)=O)c(F)cc2c1=O 253650613 GIBXMYKSYPRTEE-VHSXEESVSA-N 393.396 0.944 0 1 GCAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2[C@@H](F)[C@H](O)[C@H](O)[C@H](C)O 963187594 IPJMHWCKKKXEMG-DCHYSXGDSA-N 399.459 0.837 0 1 GCAF C[C@@H](O)CNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 4548118 SFPOVYDBJGXTPE-HFTRVMKXSA-N 384.436 0.774 0 1 GCAF CN(C)CCCNC(=O)C[C@@H]1CC[C@H](NC(=O)c2ccccc2F)[C@@H](CO)O1 95676015 RNBICINZPSPKFD-JCGIZDLHSA-N 395.475 0.922 0 1 GCAF Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)NN1CCc2c(O)ncnc2C1 1857648454 XOQGZWJGPAEGOW-UHFFFAOYSA-N 377.382 0.177 0 1 GCAF CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N(C)C)O[C@@H](CO)[C@@H]1O2 95900377 QAHMIWPLJULOCY-NUADTHGBSA-N 391.468 0.659 0 1 GCAF N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)O[C@@H]1[C@@H]2C[C@@H]3CO[C@@H]1[C@@H]3C2)c1ccccc1 100755906 BTBGNDKVXHABNK-NFSMSPSDSA-N 388.420 0.613 0 1 GCAF Cc1cc(CNc2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)no1 205047003 JABYGUKWMVUZCX-XGICHPGQSA-N 395.383 0.787 0 1 GCAF C[C@@H](NS(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)C(=O)O 587562498 CKLIUKAEMKKAFH-MRVPVSSYSA-N 390.377 0.854 0 1 GCAF COc1ccc2c(c1)[C@@](O)(CCn1c(=O)c3ccccc3n(C)c1=O)C(=O)N2 2356407739 JECCGQNYJCCQDX-FQEVSTJZSA-N 381.388 0.939 0 1 GCAF CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](C[C@H](O)[C@@H]3[C@]23CO[C@H](O)[C@H]13)[C@@](C)(O)[C@@H]4O 2356621147 QMCAKDVKAVSTQB-DJIXUZHFSA-N 382.453 0.182 0 1 GCAF COc1cccc(CC(=O)N2CCN(C(C)=O)C[C@H]2CN2CC[C@H](O)C2)c1 26285591 HVIIWHNRMPBXJH-MSOLQXFVSA-N 375.469 0.364 0 1 GCAF Oc1ccc(CCc2ccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc2O)c(O)c1 45498644 DHNFDTBTJFVKKB-HCXYKTFWSA-N 378.377 0.406 0 1 GCAF CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nccs1 653808446 UDQQQBAXCWRZGU-STQMWFEESA-N 396.517 0.625 0 1 GCAF CC(C)CCc1ccc2[nH]cc(OC(=O)[C@@H]3O[C@](O)(CO)[C@H](O)[C@@H]3O)c2c1 2356325963 RWWPTAKOKCWUQF-YWTNHNAXSA-N 379.409 0.463 0 1 GCAF C[C@H](O)[C@]1(O)CC[C@]2(O)[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3[C@H](O)[C@@]2(O)[C@@H]1C 2356575055 ZLZZQGBYLLCLRA-FYSIDTPVSA-N 382.497 0.479 0 1 GCAF CNc1nc(Cl)nc2c1ncn2C[C@H](COC(C)=O)COP(=O)(O)O 13864022 GRNDXUPUOYPZJB-MRVPVSSYSA-N 393.724 0.810 0 1 GCAF CCOC(=S)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]2O)cc1 257499261 NZQNGCULBWTLGQ-LTDQNJCQSA-N 399.465 0.875 0 1 GCAF endogenous,in-man CC(C)(C)c1ccc2nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2n1 587218877 IXQVMYBNCPHDKJ-MWLCHTKSSA-N 391.428 0.559 0 1 GCAF C[C@H](O)[C@H](O)[C@@H](O)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349797 FXXVUEZALYZDCP-KVHYSLOPSA-N 392.379 0.724 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNCc3cnccc3Cl)[C@H](O)[C@@H]2O1)NC1CC1 2356289227 RPOUUDRMATWMJF-KOVXWOGCSA-N 381.860 0.779 0 1 GCAF O=C(NC[C@@H]1O[C@@H](Cc2cc(CN3CCNCC3)on2)CC[C@@H]1O)C1CCC1 2356326592 YQAOTYAEMWSIDF-NEWSRXKRSA-N 392.500 0.447 0 1 GCAF CC(=O)OC[C@](O)(OC(C)=O)[C@@H]1CC[C@]2(C)[C@H](O)CC[C@](C)(O)[C@]2(C)[C@H]1O 2356353556 QIGUPGWBVOCQPH-FUIGDMOMSA-N 388.457 0.490 0 1 GCAF Cc1cn([C@H]2C[C@H](O)[C@@H](CCC(=O)NCc3cccs3)O2)c(=O)[nH]c1=O 199374774 XXAVUKSXCCCRBT-GZBFAFLISA-N 379.438 0.652 0 3 GCAF CN(CCc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)Cc1ccccc1 29127136 DUFZYNDFRDPEDV-DLVXIWMQSA-N 399.451 0.112 0 1 GCAF CC(=O)Nc1nc(OCc2ccccc2)c2ncn([C@@H]3C[C@H](O)[C@H](O)O3)c2n1 40690196 ATSMAVMOYAZTSF-GDZNZVCISA-N 385.380 0.962 0 1 GCAF CN(C)CC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccccc2F)O[C@@H]1CO 95907048 JPCYXULXKAYANI-BHYGNILZSA-N 379.432 0.194 0 1 GCAF CCCCC(=O)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H]2[C@@H]1Oc1nc(=N)ccn12 169335625 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N[C@@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587220611 NYRMJJNQMRKGFJ-DTWKUNHWSA-N 386.767 0.659 0 1 GCAF O=C1[C@@H]2Cc3nc[nH]c3[C@@H](Cn3c(=O)oc4ccccc43)N2C(=O)[C@@H]2CCCN12 963221899 OURBFRCUKFUWFY-SOUVJXGZSA-N 393.403 0.817 0 1 GCAF COc1cc(O)c2c(c1CC=C(C)CO[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)COC2=O 2356512750 CNPFAHSTHWYNNB-WITVHBPWSA-N 396.392 0.016 0 1 GCAF CN1[C@H](CCC(=O)N2CCC(O)CC2)CNC(=O)[C@@H]2[C@H]1CCN2CC(C)(C)C 2356866468 VNIALWDHFSGBMY-SUMDDJOVSA-N 394.560 0.669 0 1 GCAF CC(=O)N1CCN(C(=O)Cc2cc(F)cc(F)c2)[C@H](CN2CC[C@@H](O)C2)C1 26290764 WLZKXQIQNDDGFA-QZTJIDSGSA-N 381.423 0.633 0 1 GCAF CC(C)[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)O 39812277 RGMLUHANLDVMPB-ZACQAIPSSA-N 392.500 0.396 0 1 GCAF biogenic O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1-c1sccc1Br 90697854 WTPCEGWZXOSLSS-OPRDCNLKSA-N 389.227 0.668 0 1 GCAF Cc1ccc(CN2C(=O)[C@H]3C[C@H](O)CN3C3(CN(C4CCOCC4)C3)C2=O)o1 2356343031 KOTCHSCFXFNFHP-DOTOQJQBSA-N 389.452 0.125 0 1 GCAF CC(=O)c1c(C)cc2cccc(O)c2c1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356579518 DNABNTQMDXKPON-GEFMQMDVSA-N 378.377 0.235 0 1 GCAF C[C@H](O)[C@@H]1CC[C@@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3[C@@H](O)[C@@H](O)[C@]12C 2356613115 AHIGXABPPZEAPK-RFGAZQDMSA-N 382.497 0.336 0 1 GCAF CN(C)C(=O)CC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)CF 28568310 HMXBVASPAGOLIL-AWEZNQCLSA-N 381.404 0.805 0 1 GCAF CCNC(=S)NCCCNCCCCNCCCNC(=S)NCC 49035476 SEKDYRZVEKGKNH-UHFFFAOYSA-N 376.640 0.694 0 1 GCAF CC(C)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O 82235439 YPWCQVUPJZKIRM-SFHVURJKSA-N 388.468 0.554 0 1 GCAF O=C(C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1nccs1 95676119 BGYIYMFDHNUKRK-HZSPNIEDSA-N 383.470 0.923 0 1 GCAF O=C(N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO)c1ccccn1 95905572 IMYXICHLXCMOQK-BQFCYCMXSA-N 391.468 0.653 0 1 GCAF CC(C)(CO)[C@@H](O)C(=O)NCC(=O)NCc1ccc(OC(F)(F)F)cc1 96916979 ADQBKGXLDAYPIC-ZDUSSCGKSA-N 378.347 0.697 0 1 GCAF Nc1nccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc12 587186464 XISXEMAKLOTUMD-UHFFFAOYSA-N 384.137 1.093 0 1 GCAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587203506 KFDPCROJZHEKKH-AWEZNQCLSA-N 395.485 0.892 0 1 GCAF COc1cc([C@H](O)[P@](=O)(O)CC[C@@H](N)C(=O)O)cc(F)c1OCC(=O)O 1772623873 CBQXGRKXMPLXLY-YMTOWFKASA-N 395.276 0.361 0 1 GCAF CN(C)c1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](OCC(N)=O)CO[C@@H]43)n2)cc1 2356305066 PMMGOWGYBXVXIP-PSBWJHGTSA-N 399.451 0.658 0 1 GCAF O=c1cc(-c2ccccc2)oc2cc(O)cc(O[C@@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)c12 15058232 MMVMGMHYSQJGLO-XVVDYKMHSA-N 386.356 0.983 0 1 GCAF biogenic CCC(=O)OC[C@H]1O[C@@H](n2cnc3c(OC)ncnc32)[C@@H](O)[C@@H]1OC(=O)CC 27709724 FFEHJCCITXHECU-UBRYMTFOSA-N 394.384 0.368 0 1 GCAF N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12 95535417 KFXAUSVLTDTQPC-FIXISWKDSA-N 381.841 0.491 0 1 GCAF Cc1nc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(OCCO)cc3)C2)cn1C 95785264 CNTMYBRCNZSDRN-MRXNPFEDSA-N 394.497 0.652 0 1 GCAF N#CCC(=O)N1CCC[C@@H](n2c(=O)[nH]c3cnc(Nc4ccc[nH]c4=O)nc32)C1 150150830 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CC(=O)NCCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 82141426 CSEHSCGIARBHDQ-UHFFFAOYSA-N 387.415 0.985 0 1 GCAF COc1cc(C[C@]2(O)COC(=O)[C@]2(O)Cc2ccc(O)c(OC)c2)ccc1O 14766717 RKDJNIXOFXZWST-VQTJNVASSA-N 390.388 0.919 0 1 GCAF biogenic CS(=O)(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F 42920319 GOWADPNMGMEPQF-NEPJUHHUSA-N 393.431 0.904 0 1 GCAF CN1CCOC[C@@H]1c1nc(C(=O)NCc2ccccc2F)c(O)c(=O)n1C 89774376 WPNNXSNEMNITNL-CYBMUJFWSA-N 376.388 0.558 0 1 GCAF CN(C)CCCNC(=O)C[C@H]1CC[C@H](NC(=O)Cc2cccnc2)[C@H](CO)O1 95676024 IHGRXRHOBYYXJU-SQNIBIBYSA-N 392.500 0.107 0 1 GCAF C[C@@H](O)[C@@H]1CC[C@@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3[C@@H](O)[C@@H](O)[C@]12C 2356613114 AHIGXABPPZEAPK-QVGTVHENSA-N 382.497 0.336 0 1 GCAF CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C1CC1)N1C(=O)CN(Cc3ccccc3)C(=O)[C@@]21C 15941184 SZHHBHMETZCEHH-BZLDKRAPSA-N 381.432 0.639 0 3 GCAF COc1ccc(C2(C(=O)O)CCCCC2)cc1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 26981975 JAEZFGMEYUZIIP-PNKHAZJDSA-N 396.436 0.497 0 1 GCAF OC[C@@H]1O[C@@H](n2cnc3c(NC[C@@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 36271844 DUNKXLVWSLBCNL-IOQYBFDPSA-N 397.435 0.580 0 1 GCAF CN(C)CCCNC(=O)C[C@@H]1C=C[C@H](NC(=O)c2ccccc2F)[C@@H](CO)O1 95675581 XEUNAZXFOLKMJY-JCGIZDLHSA-N 393.459 0.698 0 1 GCAF CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1 95887724 XTMFCURZJJHNFP-TXCZRRACSA-N 377.441 0.357 0 1 GCAF CN(C)CC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO 95907501 VCIKDIOFMNBODN-GVDBMIGSSA-N 395.887 0.709 0 1 GCAF CO[C@@H]1[C@H]2[C@H](O)[C@@H]3O[C@@]45C(=C(O)[C@@H](C)C[C@](C)(O)C(=O)[C@H]14)C(=O)O[C@@]25C[C@H]3C 100306686 MHJGAFOCZUZLAB-XZEODEHHSA-N 394.420 0.253 0 1 GCAF in-vitro CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)C 149773302 SETIKPULJNQONO-ZDUSSCGKSA-N 384.525 0.154 0 1 GCAF CC(=O)Nc1ccc2ccccc2c1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 238733043 BMLOPEZLCMJHTJ-RUKPJNHUSA-N 377.349 0.069 0 1 GCAF CN1CCN(c2nc(CS(=O)(=O)c3ccccc3Cl)nc(=N)[nH]2)CC1 1857543413 WWPMYLXEYGNGDR-UHFFFAOYSA-N 382.877 0.663 0 1 GCAF NC(=O)C1CCN([C@@H]2[C@H]3OC[C@@H](O3)[C@@H](N(CC3CC3)CC3CC3)[C@H]2O)CC1 2356809194 AOGFKFRDRKJPDC-NUABRCLCSA-N 379.501 0.159 0 1 GCAF CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1O[P@@H](=O)O 40892403 GDVACXBGWDLQCI-HYFYGGESSA-N 376.298 0.012 0 1 GCAF CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1ccccn1 95880523 ODYKKOORKAWFSO-FEHORTKBSA-N 382.464 0.933 0 1 GCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NCc4cccnc4)nc23)N1 205041767 HJRIHHKAYNYRCZ-MLPAPPSSSA-N 391.395 0.886 0 1 GCAF COc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1OC 587217872 CXNQEYSQWCVHGS-RKDXNWHRSA-N 394.384 0.404 0 1 GCAF Cc1ccc(CN2C(=O)[C@@H]3C[C@H](O)CN3C3(CN(CCC(C)C)C3)C2=O)o1 2356319155 HMXBYJVMHCNLRP-RDJZCZTQSA-N 375.469 0.993 0 1 GCAF C[C@H](NC(=O)Cc1cccnc1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21 28899635 VAYYYCIYWDRNOL-UGSOOPFHSA-N 379.420 0.792 0 1 GCAF COCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1cccnc1)C2 95662268 CBATXIMUUSJAFM-HKUYNNGSSA-N 381.432 0.910 0 1 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COC(=O)c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)s1 84672222 HJTQIGOCUQOYNG-VUGYMSSZSA-N 396.417 0.380 0 1 GCAF O=C(N[C@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1cccc(F)c1 95675537 BVKYPNZNGBYIEE-ULQDDVLXSA-N 380.416 0.713 0 1 GCAF O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCc1ccncc1 95796997 GKLMDXAFJCNXRK-KSZLIROESA-N 391.468 0.539 0 1 GCAF COc1ccccc1-n1cc(S(=O)(=O)N[C@@H]2CCCN(CCO)C2=O)cn1 97097533 YFSWUZATUHQGTR-CQSZACIVSA-N 394.453 0.143 0 1 GCAF Oc1nc(N2CCOCC2)nc(N[C@@H]2CCCNC2)c1-c1ncc(F)cn1 1772644560 KTFALLFVEUIBQT-GFCCVEGCSA-N 375.408 0.779 0 1 GCAF O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(F)cc3F)c1=O)COC2 1857585487 DWOPGWHMZNCHQB-UHFFFAOYSA-N 380.303 0.725 0 1 GCAF O=C(O)C[C@@H](NC(=O)C(F)(F)F)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 1642794 XCSNMNASSJFQBX-NXEZZACHSA-N 392.286 0.026 0 1 GCAF COc1ccc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3NC(C)=O)ccc2c1 26993060 GFSIFEXCCUQDFW-QXCZDIPSSA-N 377.393 0.171 0 1 GCAF O=C(Nc1ccc(F)cc1)N[C@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO 95675120 TXBZUYXXZRGZTP-ULQDDVLXSA-N 393.415 0.881 0 1 GCAF O=S(=O)(N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@H](O)[C@@H]1O)c1ccccc1 2356689605 PXLVDTOTRGXSDX-QIJZBDPFSA-N 378.454 0.244 0 1 GCAF Cn1cc(CNC(=O)C[C@@H]2C[C@@H]3O[C@H](CNC4CCCC4)[C@@H](O)[C@H]3O2)cn1 2356742874 HILKNAWDSMCVDI-APWQULEDSA-N 378.473 0.244 0 1 GCAF O=C(C=Cc1cc(O)c2ccoc2c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O 2356768086 JXPVQQNXOSCHEE-VYOUMLOHSA-N 378.333 0.395 0 1 GCAF C[C@H](C(=O)O)[C@@H]1Cc2c(cc3c(c2O)CN([C@@H](CCC(=O)O)C(=O)O)C3=O)O1 3804758 LUQQOGMISYEYQI-QILRFPOHSA-N 393.348 0.690 0 1 GCAF biogenic CC(C)NC(=O)N[C@H]1CCN(C(=O)CC(C)(C)C)[C@@H]1C(=O)N(C)CC(N)=O 3839104 CNJNALGFQLMBOC-WFASDCNBSA-N 383.493 0.043 0 1 GCAF biogenic CCOC(=O)[P@@](=O)(OC)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O 29488660 BPJUTMQOQJASTN-GXBZLWKFSA-N 392.301 0.506 0 1 GCAF C=CCO[C@@H]1C[C@@H]2C(=O)N3CCN(C(=O)NC4CCCCC4)C[C@@H]3C(=O)N2C1 36364665 DODDEGJVXKGJJK-BRWVUGGUSA-N 390.484 0.727 0 1 GCAF biogenic CC1=C(C[C@@H]2OC(=O)C3=CCC[C@@H](O)[C@@]32C)C(=O)O[C@H](C2=C[C@H](O)OC2=O)C1 95912516 DPEXRXRUZPXTSX-KPARLWCHSA-N 390.388 0.823 0 1 GCAF biogenic,in-vitro CO[C@@H]1[C@H]2[C@H](O)[C@@H]3O[C@@]45C(=C(O)[C@@H](C)C[C@](C)(O)C(=O)[C@H]14)C(=O)O[C@]25C[C@H]3C 100306679 MHJGAFOCZUZLAB-OBKREACGSA-N 394.420 0.253 0 1 GCAF in-vitro CS(=O)(=O)N[C@@H]1CCCN(c2nc(C(N)=O)c(Nc3ccccn3)s2)C1 209429982 YGFCENSHEQSPLT-SNVBAGLBSA-N 396.498 0.899 0 1 GCAF Cc1cc2nc(C[C@@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]c2cc1Cl 587221191 VOFYXSOHUVVAFU-NXEZZACHSA-N 382.804 0.829 0 1 GCAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCOCC3)[C@@H](O)[C@H]2O1)NCc1cccnc1 2356759529 WNZSVROEIFFBLT-OIGVQNGMSA-N 391.468 0.142 0 1 GCAF O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NCCn1cccn1 13595850 HUUISRXIKLLRFA-INIZCTEOSA-N 377.395 0.668 0 3 GCAF N[C@@H](Cc1cc(I)ccc1CCP(=O)(O)O)C(=O)O 1535753 HAIQOZCTXWTJMQ-JTQLQIEISA-N 399.121 0.966 0 1 GCAF NS(=O)(=O)c1cc2c(s1)S(=O)(=O)N(Cc1cccs1)C[C@@H]2O 3870875 HHPUQNGRNUOYCD-VIFPVBQESA-N 380.494 0.695 0 1 GCAF in-vivo O=C1Nc2cc(Cl)ccc2C(=O)N2CCN(C(=O)[C@@H]3CSCN3)C[C@@H]12 25207361 YSYNERNKSNZDHO-STQMWFEESA-N 380.857 0.608 0 1 GCAF biogenic CC[C@H](C)[C@H](NC(=O)[C@H](N)CCSC)C(=O)N[C@@H](CCCCN)C(=O)O 39823264 RRIHXWPHQSXHAQ-CRWXNKLISA-N 390.550 0.296 0 1 GCAF biogenic OC[C@H]1O[C@H](n2cnc3c(NCC4=CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 48999269 HPDZGAGMDATLJH-OYRIPWCXSA-N 395.419 0.489 0 1 GCAF O=C(C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1nccs1 95869211 HOXLGSRZSGMPPI-RDBSUJKOSA-N 381.454 0.699 0 1 GCAF COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc2cc(C)c(C(C)=O)c(O)c12 2356592516 AVYRWRRYPRHDJL-VLDUQVBPSA-N 378.377 0.883 0 1 GCAF CCCCN1C(=O)[C@H]2C[C@@H](O)CN2C2(CN(Cc3cccc(F)c3)C2)C1=O 2356605678 NUUOLKSFVCHVHL-IAGOWNOFSA-N 375.444 0.984 0 1 GCAF COCCN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)Nc1c(C)cccc1C 199237280 QRSASRZPIHOCFV-SFHVURJKSA-N 397.497 0.751 0 3 GCAF O=C1CCCN1CCCN1C(=O)CN(C(=O)c2cc3ccccc3[nH]2)CC1=O 98081958 QCWSXSKVXUUECD-UHFFFAOYSA-N 382.420 0.991 0 1 GCAF COC(=O)c1ccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2c1 586935028 DHFBERYXYQGBAK-UHFFFAOYSA-N 388.405 0.780 0 1 GCAF N[C@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587218833 IPSAIUIPDFSBJA-BDAKNGLRSA-N 386.767 0.659 0 1 GCAF C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605859 BEKFJEHPEIOIAV-ZCLYJCEVSA-N 376.361 0.186 0 1 GCAF C[C@@H]1[C@H](C(N)=O)S[C@@H]2N[C@H](Cc3nccn3Cc3ccccc3)NC(=O)[C@H]21 618014742 IJZHCRZBPGTYBJ-SIGKZPCZSA-N 385.493 0.699 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3cnccc3Cl)[C@H](O)[C@@H]2O1 2356435638 IOXZUPWKIJMWNW-KOVXWOGCSA-N 399.875 0.263 0 1 GCAF CN1CCOC[C@H]1c1nc(C(=O)NCc2ccccc2F)c(O)c(=O)n1C 89774375 WPNNXSNEMNITNL-ZDUSSCGKSA-N 376.388 0.558 0 1 GCAF CC(=O)OC[C@H]1O[C@@H](n2cc(C(F)F)c(=O)[nH]c2=O)[C@@H](F)[C@@H]1OC(C)=O 96902571 GHZJWBBKWPQBMD-BSTOTGJRSA-N 380.275 0.205 0 1 GCAF CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12 196536431 XQRINBJLKOBTMI-XEQBAVFLSA-N 397.468 0.305 0 1 GCAF CN(C(=O)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 198017305 GTEDDTCTGWKBMH-VBROQKIQSA-N 381.410 0.370 0 1 GCAF CCCc1c(O)ccc2c1O[C@](CO)(CN[C@H]1CCS(=O)(=O)C1)CC2=O 587492465 PNFVKUTZQNPRFH-SGTLLEGYSA-N 383.466 0.818 0 1 GCAF NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 22919323 BGBFZLZJWJZOCZ-UHFFFAOYSA-N 380.452 0.888 0 3 GCAF Cc1cn([C@H]2C[C@H](O)[C@@H](CNCc3cccn3-c3ccncc3)O2)c(=O)[nH]c1=O 61922281 IQFRADAPNFUOEV-RCCFBDPRSA-N 397.435 0.469 0 3 GCAF O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1-c1cscc1Br 3600178 BKJOSZFLRXVYPW-VWYCJHECSA-N 389.227 0.668 0 1 GCAF C[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O 11592492 BYDOLASLMYPAEM-QMMMGPOBSA-N 382.384 0.399 0 1 GCAF CCOC(=O)CN1CCN(c2ncc(C)c(N[C@H]3CCSC3=O)n2)CC1 82203597 IGOHPDBNARNOPS-ZDUSSCGKSA-N 379.486 0.914 0 1 GCAF C[C@H](NC(=O)c1ccc(NC(=O)Nc2c(O)nc(=N)[nH]c2N)cc1)C(=O)O 473123638 MELNORPOUJDYNG-LURJTMIESA-N 375.345 0.024 0 1 GCAF OC[C@H]1O[C@@H](n2cnc3c(OCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 653714979 MYMLOPCDMIAXMB-NVQRDWNXSA-N 386.408 0.449 0 1 GCAF CS(=O)(=O)c1ccc(O[C@@H]2COCCN(C(=O)c3cnccn3)C2)cc1 2356726140 GBNIQAYDVVUHLQ-AWEZNQCLSA-N 377.422 0.800 0 1 GCAF CO[C@@H]1C[C@@H]2C(=O)N3CC[C@H](NC(=O)c4cccc(F)c4)C[C@H]3C(=O)N2C1 2356866369 WFDDMRAVKMHSDQ-XUWVNRHRSA-N 375.400 0.545 0 1 GCAF Cn1nnnc1SCCNC(=O)[C@H]1CCC(=O)N(CCc2ccccc2)C1 14954354 WHZFMMMYLCZJCR-HNNXBMFYSA-N 388.497 0.900 0 3 GCAF Cc1cc(O)c(CO)c2c1C(=O)Oc1c(CO)c(O)c3c(c1O2)[C@H](O)OC3=O 13407232 VHKZGPSNCSPDGX-GOSISDBHSA-N 390.300 0.877 0 1 GCAF biogenic CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)CO[C@@H]12 25223703 VMIJHGBLKHRDRI-DGAVXFQQSA-N 390.845 0.899 0 1 GCAF biogenic Nc1ccc([C@@H](N)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(C(F)(F)F)CC[C@H]23)cc1 28256994 ZWJMLGRHHOCVNZ-UTUOFQBUSA-N 398.341 0.659 0 1 GCAF C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(NCc4cccs4)ncnc32)[C@@H]1O 40412122 XGBLLYJYONQDCZ-PDUOOLKUSA-N 377.426 0.502 0 1 GCAF 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O=C(O)c1cccc(-c2ccccc2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1 40498369 SCIBHVOFQINYLN-WAXPSYRMSA-N 376.361 0.231 0 1 GCAF COc1ccccc1S(=O)(=O)N[C@H](CNC(=O)c1ccccc1)C(=O)O 43069103 JIQSSKVJUDNCCU-CYBMUJFWSA-N 378.406 0.857 0 1 GCAF CCOCCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)[C@@H]1CCCC[C@H]1N2 82205979 YLEZDSKMMOSCAH-VXGBXAGGSA-N 394.428 0.457 0 1 GCAF COC(=O)Cn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@H](C)N2 82207054 OKFRVFBGQHIVDR-JTQLQIEISA-N 388.380 0.307 0 1 GCAF COCC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccccc2OC)O[C@H]1CO 95675977 PZSXLCWRMIJETI-ZOBUZTSGSA-N 380.441 0.373 0 1 GCAF Cc1ccccc1S(=O)(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 95886570 FYAAWLKBSBUMEX-XUWVNRHRSA-N 399.465 0.768 0 1 GCAF O=C1[C@@H]2[C@@H](C(=O)N1OCCCN1CCN(c3ncccn3)CC1)[C@H]1C=C[C@H]2C1 101027271 YNKFXGPBJSWKHI-QAETUUGQSA-N 383.452 0.727 0 1 GCAF CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H]([C@@H](O)[C@@H]32)[C@@H]14 145483588 KENJGROHBQKVPH-ODZPGRJLSA-N 377.481 0.531 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NC3CCCCC3)[C@H](O)[C@H]2O1 2356316757 NHHSPTZBHNNUHT-HITLURFISA-N 399.488 0.057 0 1 GCAF O=C(O)CCCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)cc1 26576339 DRAXWKVPJQYXOJ-SXQSXHJWSA-N 392.411 0.964 0 1 GCAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCN(c2ccccn2)CC1 195373857 BEUKPIYAUUAVPL-RGCFKVTRSA-N 380.448 0.927 0 1 GCAF C/C=C(/C)C(=O)O[C@@H]1C[C@@H]2[C@H]3C[C@@H](CN2C(=O)[C@H]1O)[C@@H]1C[C@H](OC)CCN1C3 197343253 YVQJCCQBPAKQKB-HHBUVEIYSA-N 392.496 0.955 0 1 GCAF COc1cc([C@@H]2OC[C@](O)(C[C@@H]3CC[C@H](O)[C@H](OC)C3)[C@@]2(O)CO)ccc1O 2356354625 NUMDNVCHZUJORS-YUZQNOJXSA-N 398.452 0.493 0 1 GCAF C[C@H](O)[C@@H]1CC[C@@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)[C@@H](O)[C@]12C 2356505288 ZKHPKHVTGSOEKJ-AXVGQAAZSA-N 382.497 0.479 0 1 GCAF NCC(=O)N[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 13650521 WQRWDCIVVUWKOU-JTQLQIEISA-N 388.399 0.827 0 1 GCAF CCOC(=O)[P@@](=O)(OC)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O 29546297 ARFOILFYFMIVQZ-BNKWTPEISA-N 378.274 0.198 0 1 GCAF CN(c1ccc(C(=O)NCCO)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 149049305 LLMKWUGEQJAPRT-CQSZACIVSA-N 381.440 0.790 0 1 GCAF CN(C)c1nc2ccc(NC(=O)c3c(C(=O)N4CC(F)C4)cnn3C)cn2n1 205064222 KULIXKMTCPNPQL-UHFFFAOYSA-N 386.391 0.575 0 1 GCAF C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3C[C@H]4CC[C@H]3C4)ncnc21 261088251 CYNWVQQNSGCUDM-OTWQCWKKSA-N 375.429 0.428 0 1 GCAF COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 299845392 DUTLCPVDWZIPRE-CFYZNUAKSA-N 384.429 0.204 0 1 GCAF CCOC(=O)[C@@H]1CNC(=O)[C@]12N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962964006 XSEIVUNNDBITKD-KQKMSYGOSA-N 388.754 0.722 0 1 GCAF O=C1[C@@H]2Cc3nc[nH]c3[C@H](Cn3c(=O)oc4ccccc43)N2C(=O)[C@@H]2CCCN12 963221888 OURBFRCUKFUWFY-KKUMJFAQSA-N 393.403 0.817 0 1 GCAF Cc1cc(-c2ccc(=O)n(C)c2)ccc1S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 1857767307 AOOLIPCSERVJJG-RBPQIDMKSA-N 393.461 0.253 0 1 GCAF Oc1ccc(C=Cc2cc(O)cc(O)c2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1 2356401097 SSPZYLNFWHZLPD-BMFAXAFESA-N 376.361 0.792 0 1 GCAF COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNCc3ccccc3OC)[C@H](O)[C@@H]2O1 2356610684 UQOXTQIWESHOLS-LFWUDYNKSA-N 394.468 0.223 0 1 GCAF CC(=O)c1ccc(NC(=O)N2CCN[C@@H](C(=O)N[C@@H]3CCCNC3=O)C2)cc1 25431318 GEJHUNGEZMCRPA-HZPDHXFCSA-N 387.440 0.090 0 1 GCAF biogenic CC(C)(CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 36272832 XZOAORCZMOWSAB-GKDNMFGBSA-N 399.451 0.828 0 1 GCAF Nc1nc(SCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 45255286 MLHGXCLLTNBCPQ-XNIJJKJLSA-N 395.485 0.692 0 1 GCAF CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1 95886642 WAPGLMAYCIMBJK-ZJPYXAASSA-N 391.468 0.747 0 1 GCAF CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@H](O)[C@@H]1O 2356319564 NCUNKLXSWYADDS-CUDHKJQZSA-N 390.480 0.831 0 1 GCAF COc1cc(C=CC(=O)O[C@H]2[C@@H](OC(C)=O)[C@H](O)[C@@H](C)O[C@H]2O)ccc1O 2356560071 NIFRPWXJGCHSOO-GUYPMHAYSA-N 382.365 0.356 0 1 GCAF COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3ccc(Cl)cc3)[C@H]21 2356835032 KNKMJCDXWJSQBE-QTVXIADOSA-N 399.900 0.276 0 1 GCAF O=C(O)CN/N=c1\n(Cc2ccc(F)cc2)c2ccccc2n1C(=O)C(=O)O 13470520 WOGMMKWBJXZIJP-DYTRJAOYSA-N 386.339 0.845 0 1 GCAF O=c1cc(-c2ccccc2)oc2cc(O)cc(O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)c12 15058233 MMVMGMHYSQJGLO-LGWHJFRWSA-N 386.356 0.983 0 1 GCAF C[C@@H]1COc2c(N3CCO[C@@H](CN)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23 28766772 XFECWQXKZQMXOX-ZJUUUORDSA-N 377.372 0.956 0 1 GCAF CC(=O)NC[C@H]1CN(c2ccc(OC3CCN(C(=O)CO)CC3)cc2)C(=O)O1 29483644 MLGJAMSKBJWLTE-KRWDZBQOSA-N 391.424 0.510 0 1 GCAF CSCC(=O)N[C@@H]1CCN2C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H]2C1 36361082 SMRDDDIGEHSBLB-BPLDGKMQSA-N 377.466 0.272 0 1 GCAF biogenic CN(C)CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CC2)O1 95884773 NCGZYYROGFAGMS-ZSYWTGECSA-N 383.533 0.464 0 1 GCAF N[C@@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)C(=O)N[C@H](CCC(=O)O)C(=O)O 587220192 NBNSORSLMBSLEQ-GXTWGEPZSA-N 388.424 0.746 0 1 GCAF CCOC(=O)[C@]1(c2ccc[nH]2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963220227 MQQKXJFWIHZVPN-JMERFSKESA-N 383.408 0.302 0 1 GCAF COc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC(C)C)cc1 199236654 XZUYGXIPNVILKU-GOSISDBHSA-N 397.497 0.582 0 3 GCAF CN1CCN(C)[C@H](c2nc(O)c(O)c(C(=O)NCc3ccc(F)cc3)n2)C1 40587747 RLYGGHSVIQHIRZ-ZDUSSCGKSA-N 375.404 0.875 0 1 GCAF Cc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)nn1 49053193 SHVDBYHHUFTISK-SFFUCWETSA-N 380.828 0.544 0 1 GCAF COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 95795053 ZAUUIHFOYHZVES-WAOWUJCRSA-N 381.432 0.893 0 1 GCAF O=C(NC1CCCCC1)N[C@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@H]1CO 95907809 WOVGJBDURFNDFR-IKGGRYGDSA-N 383.489 0.776 0 1 GCAF CC(=O)O[C@H]1C[C@@](C)(OC(C)=O)C(=O)CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@H](CO)[C@@H]12 525915099 RBVQQTSGUPXDEI-ZWDBTMAISA-N 398.408 0.301 0 1 GCAF biogenic COCCNC(=O)C[C@@H]1C[C@@H]2O[C@H](CNC(=O)NC3CCCCC3)[C@@H](O)[C@H]2O1 2356316756 NHHSPTZBHNNUHT-DTJSUFBGSA-N 399.488 0.057 0 1 GCAF CC(=O)N1CCC(N[C@@H]2[C@H]3CO[C@@H](O3)[C@H](n3cnc4ccccc43)[C@H]2O)CC1 2356636205 ZHRWLRNUANBIDI-UEDWAMCQSA-N 386.452 0.663 0 1 GCAF O=C1CN(c2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)CCN1 149906600 XASHEGYJSJZJEK-UHFFFAOYSA-N 380.412 0.188 0 1 GCAF Cc1cc(C(=O)N[C@@H]2[C@H](c3ccc(N4CCOCC4)nc3)C[C@H](O)[C@H]2O)no1 2356306227 HTTGAAHTHMGBRN-OXXUSNJHSA-N 388.424 0.222 0 1 GCAF CC=CC=C[C@@H]1Cc2cc(O[C@H]3O[C@H](CO)[C@H](OC)[C@@H](O)[C@@H]3O)cc(O)c2O1 2356819608 FDEFVNRVFBOZML-RVRBBMDYSA-N 394.420 0.661 0 1 GCAF COc1cccc(NC(=O)NC[C@@H]2O[C@H](CC(=O)N3CCCC3)[C@H](O)[C@H]2O)c1 2356853832 RJOBNYLWCKRHCW-FZCLSBEQSA-N 393.440 0.318 0 1 GCAF CSCC(=O)N[C@@H]1CCN2C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]2C1 25214732 SMRDDDIGEHSBLB-VHDGCEQUSA-N 377.466 0.272 0 1 GCAF biogenic CCN[C@H]1CN(CCCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 27188510 HGBPNIMTCLLANK-NSHDSACASA-N 397.544 0.477 0 1 GCAF NC(=O)c1nc(-c2n[nH]nc2-c2ccccc2C(F)(F)F)n(COCCO)n1 66252390 AKTRJPFAXXRJKC-UHFFFAOYSA-N 397.317 0.814 0 1 GCAF CC(C)[C@@]12O[C@H]1[C@@H]1O[C@]13[C@@]1(C)C[C@H](O)C4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O 103587045 PUJWFVBVNFXCHZ-VZIJBHMJSA-N 376.405 0.074 0 1 GCAF biogenic,in-vitro COC(=O)[C@H](Cc1nc(Br)[nH]c1Br)NC(=O)CCN 299836417 ZZMMRRQFMIHOBV-LURJTMIESA-N 398.055 0.484 0 1 GCAF COc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1OC 587217871 CXNQEYSQWCVHGS-IUCAKERBSA-N 394.384 0.404 0 1 GCAF Cc1cc(C[C@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c2c(=O)cc(C)oc2c1 2356391584 SXMCJMTVWGEXOY-INYYMLEOSA-N 394.420 0.157 0 1 GCAF COc1ccc(C[C@@H]2NC(=O)[C@@H]3CN(C(=O)C4CCCC4)CCN3C2=O)cc1 4260082 UFWYSSWOWIDQHR-ROUUACIJSA-N 385.464 0.966 0 1 GCAF biogenic OC[C@@H]1O[C@H](c2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 15260917 ISYJYFWUXHMCFY-UJZFTFALSA-N 390.388 0.489 0 1 GCAF endogenous,in-man C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1OC[C@](O)(CO)[C@H]1O 27104811 WYLHTAQUJZGYPC-JJYIYXIDSA-N 385.424 0.483 0 1 GCAF O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@H](CO)O2)cc1-c1ccc(Br)s1 36093412 IGUZFFOBAZCVRK-VHSKPIJISA-N 389.227 0.668 0 1 GCAF CCC(CC)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C(=O)NC(C)C)[C@@H](O)[C@H]1O 36272813 WPNYHTHRKZZXST-HNSFDTNUSA-N 392.460 0.571 0 1 GCAF COc1ccc(CNC(=O)C[C@@H]2C=C[C@@H](NC(=O)CN(C)C)[C@@H](CO)O2)cc1 95907060 VWYZNXAXUASMBN-RCCFBDPRSA-N 391.468 0.064 0 1 GCAF Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC[C@@H](O)CO)c2c1=O 115622462 NUVHJVIVLZTGDF-GFCCVEGCSA-N 385.424 0.383 0 1 GCAF Cc1cc(C(=O)Nc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)n(C)n1 221923700 IIHCDUKMUSFZOR-OLZOCXBDSA-N 397.439 0.991 0 1 GCAF COc1ccccc1CNC(=O)[C@@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 2356537716 CUSXVLGJEXPUGN-KFKAGJAMSA-N 399.495 0.848 0 1 GCAF CC=C(C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@]3(O)[C@H](C)OC(=O)[C@@H]3C)[C@H]12 2356643250 LZKFLVDOCDILCY-LIGLKRNYSA-N 393.436 0.734 0 1 GCAF CCOC(=O)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O 13435539 HZTLWLBHUPNTLF-LZWOXQAQSA-N 376.358 0.298 0 1 GCAF biogenic C[C@H](CNC(=O)Cc1ccccc1)NC[C@@H](O)COc1ccccc1C(N)=O 27181776 ZBGCGKSDSORCGM-NVXWUHKLSA-N 385.464 0.862 0 1 GCAF COCc1cn(CC[C@H]2CC[C@H](NC(=O)c3ccncc3)[C@H](CO)O2)nn1 95675476 FBXATGIHHFZDOF-IKGGRYGDSA-N 375.429 0.548 0 1 GCAF Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H]3[C@H](CN3Cc3nccs3)O2)c1 95797567 RVVXYRZYXKJQCF-AGIUHOORSA-N 383.499 0.587 0 1 GCAF CNC[C@@H]1Oc2c(NS(C)(=O)=O)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95845743 LGRRTQSZVWVNJQ-HUBLWGQQSA-N 385.486 0.498 0 1 GCAF CS[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 196563212 XWFUCHLBRWBKGN-UXXRCYHCSA-N 378.399 0.433 0 1 GCAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NC4(CO)CCCC4)nc23)N1 205017730 GSBSLIBTUIYMHV-GHXNOFRVSA-N 398.427 0.596 0 1 GCAF C/C=C1/C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@@H]23 238769380 DZYSFHOSCAULAC-XRKWPLKMSA-N 395.452 0.814 0 1 GCAF COc1cc(C[C@@]2(C(=O)O)N[C@@H](C(=O)O)Cc3c2nn(C)c3C)ccc1O 962710050 KUTOPJGSMCRVGC-KZULUSFZSA-N 375.381 0.564 0 1 GCAF COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@H]2N=C(C(C)=O)[C@H]3[C@@H](O)[C@H]1OC[C@H]32 2356498530 XTCNHYCPNSGXRX-KHKKVNARSA-N 386.404 0.649 0 1 GCAF CN(C)c1ccc(N2C(=S)N[C@@H]3[C@H](O)[C@H](O)C[C@@H](C(=O)NC4CC4)[C@H]32)cc1 2356854613 RQRLAWVQTCHXEK-NQNKBUKLSA-N 390.509 0.205 0 1 GCAF O=C(NCc1cccnc1)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3ccccc3)[C@@H]21 2356874572 YXAKAONDCTYOPY-ICUGJSFKSA-N 398.488 0.571 0 1 GCAF O=C(N[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2n1cc(-c2ccccc2)nn1)N1CCOCC1 25424528 AMRJFARSPBWGJD-OWSLCNJRSA-N 385.424 0.694 0 1 GCAF biogenic CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COCc2ccccc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c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 586958207 GOIKITUVGJBDIA-HNNXBMFYSA-N 396.450 0.679 0 1 GCAF C[C@@H](N=c1[nH]c(-c2cccc(C(F)(F)F)n2)nc(=NCC(N)=O)[nH]1)C1CC1 1857774741 YDQAYHKPLFMZEJ-MRVPVSSYSA-N 381.362 0.904 0 1 GCAF COCc1cn(C[C@@H]2C[C@H](NCc3cccc4c3OCO4)[C@H](O)[C@@H]2O)nn1 2356294544 PVWLPWQJQFGQHE-SDNTUTLCSA-N 376.413 0.053 0 1 GCAF CC1=C([C@H](C)CO)C[C@@]2(O)[C@]1(O)[C@@]1(O)[C@H]3OC(=O)C[C@@]2(C)[C@@]1(O)CC[C@@H]3C 2356660942 WEMMFYQBUDJVPE-HEOSFJQRSA-N 382.453 0.025 0 1 GCAF CC(C)CN1C(=S)N(Cc2cccs2)[C@@H]2[C@H](O)[C@H](O)C[C@H](C(N)=O)[C@@H]21 2356846359 ONDRBOAYISTOOQ-AIEDFZFUSA-N 383.539 0.771 0 1 GCAF CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O 39830774 KXTAGESXNQEZKB-DZKIICNBSA-N 393.440 0.131 0 1 GCAF in-vitro O=C(O[C@@H]1CO[C@@H]2[C@@H](OC(=O)N3CCOCC3)CO[C@H]12)c1ccccc1O 45318682 ARRUAHVIUMGOSR-QKPAOTATSA-N 379.365 0.553 0 1 GCAF Cn1ncc(NC(=O)c2nc(Br)cnc2N)c1N1CCC[C@H](N)C1 145020174 OEJMEIAMVNPZBT-QMMMGPOBSA-N 395.265 0.735 0 1 GCAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C[C@@H](O)[C@H](O)[C@H](O)CO 587612486 WDEUNJMCHZYPCV-MFPRKEPKSA-N 376.361 0.188 0 1 GCAF C[C@@H]1C(=O)O[C@H]2C3=C(O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CCC[C@@]3(C)CC[C@H]12 2356600999 GOVDYISAWRKFQB-LATDJMKYSA-N 398.452 0.219 0 1 GCAF O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)ccc12 2356840605 MSQFDKZOYDQJAV-BTHPGYMESA-N 386.356 0.983 0 1 GCAF CCOC(=O)[C@@]1(c2ccc[nH]2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963220233 MQQKXJFWIHZVPN-WTOJCKNJSA-N 383.408 0.302 0 1 GCAF CC(=O)NC=CSC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)OS(=O)(=O)O)[C@@H]2C1 2356458084 FQQFFZPBGYGDSX-KDILMLJESA-N 392.411 0.062 0 1 GCAF COC(=O)c1cc(S(=O)(=O)NC2=NC[C@@H](C)NN2)c(S)cc1Cl 6488552 NBHVMNLGAWTPCQ-ZCFIWIBFSA-N 378.863 0.546 0 1 GCAF O=C(O)/C=C/C1=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)[C@@H]2S(=O)(=O)C1 27997305 WUOLCIXFXFHVHG-QJSFUUOESA-N 376.346 0.041 0 1 GCAF OC[C@@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 36272863 QNQVVNSRYWTXJV-CNVJLJKISA-N 399.451 0.873 0 1 GCAF CN1CCN(C(=O)[C@H]2CCC[C@@H](NCc3cccnc3)CN(C)C(=O)C2)CC1 2356332416 DAKZMEFSXPOYNX-RBUKOAKNSA-N 387.528 0.962 0 1 GCAF CC(C)(C)C(=O)NC[C@@H]1O[C@H](Cc2cc(CN3CCNCC3)on2)CC[C@H]1O 2356382958 UEHWZGSILXZRNA-JQHSSLGASA-N 394.516 0.693 0 1 GCAF COc1ccc(CNC(=O)C[C@@H]2C[C@@H]3O[C@H](CNC(C)C)[C@@H](O)[C@@H]3O2)cc1 2356750954 DGBKRLBTMMSWFL-OCBLOMHFSA-N 378.469 0.985 0 1 GCAF COC(=O)[C@H](C)NC(=O)[C@H]1CN(C(C)=O)CCN1C(=O)NC1CCCCC1 25429111 QMYIIXVNIUNWEP-SWLSCSKDSA-N 382.461 0.239 0 1 GCAF biogenic C[C@@]12C(=O)N(CCN3CCOCC3)CC(=O)N1CCc1c2[nH]c2ccccc12 26731306 OFKLLQNANHTPDU-OAQYLSRUSA-N 382.464 0.942 0 1 GCAF biogenic CC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H](C)NS3(=O)=O)c(F)c2)C(=O)O1 40956327 HHUSBQSCNUFUCB-SKDRFNHKSA-N 386.405 0.330 0 1 GCAF CCc1nc(C(=O)N[C@@H](C)C(=O)OCCOCCN2CCNCC2)cs1 82070704 IPOUMNLAHIVDIP-ZDUSSCGKSA-N 384.502 0.289 0 1 GCAF Cn1nc(-c2ccccc2)cc1C(=O)N[C@H](CC(=O)N1CCOCC1)C(=O)O 473149635 JPMCYXYCSMHFPC-OAHLLOKOSA-N 386.408 0.519 0 1 GCAF COC(=O)Cc1ccc(N2CC[C@@H]3[C@@H]2[C@H]2C(=O)C[C@H]3[C@]3(O)CC(=O)O[C@H]23)cc1 2356409428 IYURTELCXHYLTK-GZWWGJMXSA-N 385.416 0.862 0 1 GCAF CN(Cc1ccccc1)Cc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 29056780 PTTZAWXQBYNYMK-KLICCBINSA-N 385.424 0.070 0 1 GCAF CCC(CC)Nc1ncnc2c1ncn2[C@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O 48999991 CLBHMSACXZWALZ-AHXJXLJNSA-N 390.444 0.325 0 1 GCAF CCC(CC)CCOc1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 49015456 IKTDJUXXBREHIR-VSBTWAGUSA-N 381.433 0.225 0 1 GCAF CC1=C([C@@H](C)CO)C[C@]2(O)[C@]1(O)[C@]13OC(=O)C[C@@]2(C)[C@]1(O)CC[C@H](C)[C@@H]3O 100778662 WIFHAKQJYHVTQK-MWIAYCAESA-N 382.453 0.025 0 1 GCAF endogenous,in-man CC(C)CC(=O)N1CCN(C(=O)COC[C@@H]2NC(=O)[C@H]3CCCC[C@H]3N2)CC1 618013461 RPGXRNRMNBXHPT-BBWFWOEESA-N 394.516 0.324 0 1 GCAF COc1ccc2c(c1)N(OC)C(=O)[C@]21C[C@H]2N=C(C(C)=O)[C@H]3[C@H](O)[C@H]1OC[C@H]32 2356498534 XTCNHYCPNSGXRX-PJMYNPDMSA-N 386.404 0.649 0 1 GCAF C[C@H](O)[C@]1(O)CC[C@]2(O)[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3[C@H](O)[C@]2(O)[C@H]1C 2356575056 ZLZZQGBYLLCLRA-TUJHRHRZSA-N 382.497 0.479 0 1 GCAF COc1ccc(N2C(=S)N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(=O)NC4CC4)[C@@H]32)cc1 2356600135 BCYCWYAWWOUUDH-XFIYOXNOSA-N 377.466 0.147 0 1 GCAF CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](CC)(C1=O)N2C(=O)c1ccc(F)cc1 61949131 TVFWRJSUZNMZFM-IGMJJTELSA-N 387.411 0.892 0 3 GCAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(Br)c3=O)[C@H]2N1C(C)=O 206065403 MAEHVGAKQWAVEY-MNUQUWEESA-N 385.214 0.294 0 3 GCAF NCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 8298786 CYHAGKWATHPICO-OIISXLGYSA-N 398.467 0.492 0 1 GCAF biogenic COc1cc2c(cc1OC)[C@]1(O)C(=O)c3c(O)cc(O)cc3O[C@@H]1[C@H](O)O2 14928798 PYIMOMJIHXEJKY-KURKYZTESA-N 376.317 0.657 0 1 GCAF biogenic Nc1nc(NC2CCCCCC2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49089935 PHPUFEIJXRCBLX-VSBTWAGUSA-N 378.433 0.155 0 1 GCAF CCNC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCOCC1 95797029 CQVFIOCASYVALI-IAAVTCLWSA-N 375.469 0.375 0 1 GCAF CC(C)C[C@@H](NC(=O)[C@@H](O)[C@@H]1C=CC(=O)O1)[C@@H]1Cc2cccc(O)c2C(=O)O1 169303238 MXZNZZJLGOWQFM-FHIHXZLISA-N 389.404 0.847 0 1 GCAF CC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c(=S)[nH]cnc21 169335613 LRGHXUSGPMIFQL-WOUKDFQISA-N 388.298 0.834 0 1 GCAF CN(C(=O)CNC(=O)c1cccc2c1OCCO2)C1CCS(=O)(=O)CC1 205236595 SLDHPOVROTVKIG-UHFFFAOYSA-N 382.438 0.223 0 1 GCAF CC(=O)O[C@H]1C[C@@](C)(OC(C)=O)C(=O)CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CO)[C@H]12 525915093 RBVQQTSGUPXDEI-ADCOSQJRSA-N 398.408 0.301 0 1 GCAF biogenic COC(=O)C1=CO[C@H](O)[C@@H]2C(CO)=C[C@H](OC(=O)C=Cc3ccc(O)cc3)[C@H]12 2356328964 NGBISIYSMBMXDF-NFBUACBFSA-N 388.372 0.887 0 1 GCAF COc1cccc(OC)c1C(=O)N[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)O 1530711 RJQXTJLFIWVMTO-YWPYICTPSA-N 380.422 0.949 0 1 GCAF O=C(O)c1cn2c3c(cc(N4CCN(CCO)CC4)cc3c1=O)SCC2 1613495 GXFCQEKUIXNUFP-UHFFFAOYSA-N 375.450 0.920 0 1 GCAF CCNC(=O)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCC(=O)OC)cc2)C1 15671946 KJPOURPMCGXXEI-HZPDHXFCSA-N 393.440 0.523 0 1 GCAF biogenic C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1OC[C@](O)(CO)[C@H]1O 27104813 WYLHTAQUJZGYPC-NHAHKUSKSA-N 385.424 0.483 0 1 GCAF CC1(C)O[C@@H]2O[C@@H](COc3nc(N)nc4[nH]cnc34)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 33836693 JYCGZVPVCFOJMF-RFKUPLQDSA-N 393.400 0.710 0 1 GCAF C[C@H]1N=C2c3ncn([C@H]4O[C@@H](CO)[C@H](O)[C@@H]4O)c3N=CN2[C@@H]1c1ccccc1 49015093 JRYXPZRNIIPBTF-QSIASGNSSA-N 383.408 0.360 0 1 GCAF COC(=O)Cn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)CCN2 82204474 BTYPIIMJYJFRKW-UHFFFAOYSA-N 387.396 0.179 0 1 GCAF O=C(NC1CCCCC1)N[C@@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO 95907802 WOVGJBDURFNDFR-BBWFWOEESA-N 383.489 0.776 0 1 GCAF O=C(O)[C@@H](O)[C@@H](O)c1nc2c(Br)cnc(Br)c2[nH]1 586894036 XSODGHYEYWIVJC-RITPCOANSA-N 380.980 0.962 0 1 GCAF N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(F)cnc(Cl)c2[nH]1)C(=O)O 587219373 KTPZLIYDKNOWEV-RNFRBKRXSA-N 387.755 0.054 0 1 GCAF CSC[C@H](CO)NC(=O)c1cnc(Oc2ccc3c(c2C)B(O)OC3)cn1 1772637015 QKUSISUNCPCMPF-LBPRGKRZSA-N 389.242 0.249 0 1 GCAF COc1cc(O)c2c(=O)oc3c(c2c1)[C@](C)(O)C[C@H](OC)[C@]31C[C@H](O)C(=O)O1 2356389692 DXDVGVFRBGQXNB-LFSCOCTRSA-N 392.360 0.637 0 1 GCAF Cc1ccccc1CNC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCOCC3)O[C@H]2[C@H]1O 2356487789 MFYSCIATMOUMOB-FJWRRNOESA-N 390.480 0.619 0 1 GCAF COc1ccc(C[C@H]2NC(=O)[C@H]3CN(C(=O)C4CCCC4)CCN3C2=O)cc1 25221292 UFWYSSWOWIDQHR-QZTJIDSGSA-N 385.464 0.966 0 1 GCAF biogenic Cc1cccc(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCCCC2)c1 28644085 KNPCGITXYFPALY-INIZCTEOSA-N 395.529 0.918 0 1 GCAF C[C@@H](CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 36272563 VIXRHETYMQEYNK-SLAFLTGZSA-N 385.424 0.653 0 1 GCAF NC(=O)CC1(NC(=O)c2cc(OCC3CC3)c(N3CC(F)(F)C3)cn2)COC1 146412516 FPBGJMMSUSSBTL-UHFFFAOYSA-N 396.394 0.700 0 1 GCAF COc1ccc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3NC(C)=O)ccc2c1 253770488 GFSIFEXCCUQDFW-ZSXDVEMLSA-N 377.393 0.171 0 1 GCAF CN1C=N[C@H]2[C@H]1C(=O)N(CCCCc1ccc3c(O)nc(O)nc3n1)C(=O)N2C 587558951 VNLIZAMUDCNJCA-GXTWGEPZSA-N 399.411 0.321 0 1 GCAF Cn1nc(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(=O)n(C)c1=O 587654941 QDCVONLZJKTJSF-UHFFFAOYSA-N 393.812 0.275 0 1 GCAF CCc1ccc([C@@H]2NCCc3ccc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc32)cc1 653722849 JJTNOYREOYXPAU-CYRMBFQRSA-N 399.487 0.999 0 1 GCAF CN1C[C@@H](NCc2nccn2C)CCC[C@H](C(=O)NC2CCOCC2)CC1=O 2356635161 UGNNBSMXVCTTOZ-RDJZCZTQSA-N 391.516 0.822 0 1 GCAF CCOC(=O)[C@@H](SCCO)[C@H](C(=O)OCC)n1cnc2c(N)ncnc21 1647377 VWIROSQJACUKSW-MNOVXSKESA-N 383.430 0.170 0 1 GCAF COc1ccc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3NC(C)=O)ccc2c1 26993066 GFSIFEXCCUQDFW-OYSTVDSJSA-N 377.393 0.171 0 1 GCAF C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NS(C)(=O)=O)c2O[C@H]1CN(C)C 95849860 NGOQGDZIZPAXSN-ZENOOKHLSA-N 399.513 0.840 0 1 GCAF O=C(C[C@H]1C=C[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCCc1ccncc1 95904511 VVYNGGPXLPIKCY-CEXWTWQISA-N 396.447 0.640 0 1 GCAF COc1ccc(CN2C(=O)[C@H]3C[C@@H](O)CN3C3(CN(C4CCC4)C3)C2=O)cc1 2356290569 WSSLYTYEZXNGOR-SJLPKXTDSA-N 385.464 0.606 0 1 GCAF CC=C(C)C(=O)O[C@@H]1C[C@H](O)[C@]2(C)C[C@@H]3[C@H](C[C@H](C)[C@H]12)OC(=O)[C@@]3(O)CO 2356610230 GNFIFVXADUGFIS-RRFJLYHUSA-N 382.453 0.946 0 1 GCAF O=C(N[C@@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCCC3)N2C1)c1cccs1 2356873302 ZECQDPGGSPAMTB-KFWWJZLASA-N 390.509 0.822 0 1 GCAF